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 2f9q_1_A DATA FIRST_RESID 34 DATA SEQUENCE PPGPLPLPXX XXXXXXXXQN TPYCFDQLRR RFGDVFSLQL AWTPVVVLNG DATA SEQUENCE LAAVREALVT HGEDTADRPP VPITQILGFG PRSQGVFLAR YGPAWREQRR DATA SEQUENCE FSVSTLRNLG LGKKSLEQWV TEEAACLCAA FANHSGRPFR PNGLLDKAVS DATA SEQUENCE NVIASLTCGR RFEYDDPRFL RLLDLAQEGL KEESGFLREV LNAVPVDRHI DATA SEQUENCE PALAGKVLRF QKAFLTQLDE LLTEHRMTWD PAQPPRDLTE AFLAEMEKAK DATA SEQUENCE GNPESSFNDE NLRIVVADLF SAGMVTTSTT LAWGLLLMIL HPDVQRRVQQ DATA SEQUENCE EIDDVIGQVR RPEMGDQAHM PYTTAVIHEV QRFGDIVPLG MTHMTSRDIE DATA SEQUENCE VQGFRIPKGT TLITNLSSVL KDEAVWEKPF RFHPEHFLDA QGHFVKPEAF DATA SEQUENCE LPFSAGRRAC LGEPLARMEL FLFFTSLLQH FSFSVPTGQP RPSHHGVFAF DATA SEQUENCE LVSPSPYELC AVPR 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 34 P HA 0.000 nan 4.420 nan 0.000 0.216 34 P C 0.000 176.971 177.300 -0.548 0.000 1.155 34 P CA 0.000 62.778 63.100 -0.537 0.000 0.800 34 P CB 0.000 31.569 31.700 -0.218 0.000 0.726 35 P HA 0.091 nan 4.420 nan 0.000 0.277 35 P C 0.707 177.733 177.300 -0.456 0.000 1.751 35 P CA 1.955 64.846 63.100 -0.350 0.000 1.526 35 P CB -0.119 31.455 31.700 -0.210 0.000 0.467 36 G N -3.033 105.159 108.800 -1.013 0.000 2.675 36 G HA2 0.049 4.010 3.960 0.001 0.000 0.686 36 G HA3 0.049 4.010 3.960 0.001 0.000 0.686 36 G C -3.092 171.308 174.900 -0.832 0.000 1.215 36 G CA -0.498 43.877 45.100 -1.209 0.000 0.777 36 G HN 0.516 nan 8.290 nan 0.000 0.638 37 P HA 0.667 nan 4.420 nan 0.000 0.281 37 P C -0.242 177.081 177.300 0.038 0.000 1.249 37 P CA -0.512 62.618 63.100 0.051 0.000 0.810 37 P CB 1.333 33.141 31.700 0.180 0.000 1.008 38 L N 2.758 124.032 121.223 0.085 0.000 2.330 38 L HA 0.608 4.949 4.340 0.001 0.000 0.271 38 L C -1.519 175.396 176.870 0.075 0.000 1.013 38 L CA -1.672 53.207 54.840 0.064 0.000 0.816 38 L CB 1.128 43.214 42.059 0.046 0.000 1.287 38 L HN 0.398 nan 8.230 nan 0.000 0.435 39 P HA 0.545 nan 4.420 nan 0.000 0.314 39 P C -0.670 176.669 177.300 0.066 0.000 1.306 39 P CA -0.526 62.626 63.100 0.086 0.000 0.782 39 P CB 2.039 33.817 31.700 0.129 0.000 1.337 40 L N -1.998 119.264 121.223 0.065 0.000 4.549 40 L HA 0.155 4.496 4.340 0.001 0.000 0.470 40 L C -2.093 174.808 176.870 0.051 0.000 1.033 40 L CA -0.542 54.329 54.840 0.052 0.000 1.727 40 L CB -0.380 41.701 42.059 0.037 0.000 1.509 40 L HN 0.446 nan 8.230 nan 0.000 0.561 53 N N 0.154 118.932 118.700 0.131 0.000 2.370 53 N HA 0.565 5.306 4.740 0.001 0.000 0.303 53 N C 0.323 175.909 175.510 0.126 0.000 1.103 53 N CA 0.260 53.480 53.050 0.284 0.000 0.848 53 N CB 2.016 40.735 38.487 0.387 0.000 1.235 53 N HN 0.241 nan 8.380 nan 0.000 0.496 54 T N -2.296 112.320 114.554 0.103 0.000 3.009 54 T HA 0.387 4.738 4.350 0.001 0.000 0.267 54 T C -1.772 172.558 174.700 -0.617 0.000 0.942 54 T CA -0.166 61.771 62.100 -0.270 0.000 0.883 54 T CB -0.006 68.705 68.868 -0.262 0.000 1.192 54 T HN 0.431 nan 8.240 nan 0.000 0.524 55 P HA 0.167 nan 4.420 nan 0.000 0.216 55 P C 0.915 178.039 177.300 -0.294 0.000 1.151 55 P CA 0.615 63.434 63.100 -0.468 0.000 0.863 55 P CB -0.236 31.073 31.700 -0.651 0.000 0.790 56 Y N -0.009 120.146 120.300 -0.241 0.000 2.315 56 Y HA -0.220 4.330 4.550 0.001 0.000 0.288 56 Y C 2.947 178.796 175.900 -0.086 0.000 1.154 56 Y CA 1.091 59.113 58.100 -0.130 0.000 1.229 56 Y CB -1.599 36.772 38.460 -0.147 0.000 0.980 56 Y HN 0.118 nan 8.280 nan 0.000 0.540 57 C N -0.077 119.220 119.300 -0.005 0.000 2.442 57 C HA -0.234 4.227 4.460 0.001 0.000 0.279 57 C C 2.617 177.671 174.990 0.106 0.000 1.237 57 C CA 0.969 59.982 59.018 -0.008 0.000 1.722 57 C CB -1.462 26.217 27.740 -0.103 0.000 2.056 57 C HN 0.576 nan 8.230 nan 0.000 0.469 58 F N 0.655 120.656 119.950 0.086 0.000 2.287 58 F HA -0.145 4.382 4.527 0.001 0.000 0.301 58 F C 2.217 178.090 175.800 0.123 0.000 1.069 58 F CA 1.188 59.288 58.000 0.168 0.000 1.372 58 F CB -0.356 38.782 39.000 0.230 0.000 1.056 58 F HN 0.379 nan 8.300 nan 0.000 0.523 59 D N -0.007 120.535 120.400 0.236 0.000 2.144 59 D HA -0.140 4.501 4.640 0.001 0.000 0.200 59 D C 2.162 178.531 176.300 0.114 0.000 0.978 59 D CA 1.021 55.116 54.000 0.158 0.000 0.833 59 D CB 0.002 40.864 40.800 0.102 0.000 0.961 59 D HN 0.130 nan 8.370 nan 0.000 0.470 60 Q N -0.051 119.802 119.800 0.088 0.000 2.020 60 Q HA -0.085 4.255 4.340 0.001 0.000 0.202 60 Q C 2.610 178.602 176.000 -0.013 0.000 0.982 60 Q CA 0.749 56.572 55.803 0.034 0.000 0.838 60 Q CB -0.640 28.114 28.738 0.026 0.000 0.899 60 Q HN 0.355 nan 8.270 nan 0.000 0.423 61 L N 0.605 121.795 121.223 -0.056 0.000 2.083 61 L HA -0.162 4.179 4.340 0.001 0.000 0.209 61 L C 2.687 179.396 176.870 -0.267 0.000 1.083 61 L CA 1.351 56.033 54.840 -0.263 0.000 0.752 61 L CB -0.498 41.123 42.059 -0.730 0.000 0.899 61 L HN 0.174 nan 8.230 nan 0.000 0.433 62 R N 0.843 121.316 120.500 -0.045 0.000 2.080 62 R HA -0.187 4.153 4.340 0.001 0.000 0.236 62 R C 2.252 178.610 176.300 0.097 0.000 1.137 62 R CA 1.768 57.969 56.100 0.168 0.000 0.943 62 R CB -0.257 30.182 30.300 0.232 0.000 0.846 62 R HN 0.320 nan 8.270 nan 0.000 0.431 63 R N 0.522 121.051 120.500 0.048 0.000 2.325 63 R HA -0.022 4.319 4.340 0.001 0.000 0.214 63 R C 1.395 177.668 176.300 -0.045 0.000 0.961 63 R CA 0.760 56.871 56.100 0.018 0.000 1.086 63 R CB 0.019 30.335 30.300 0.026 0.000 1.037 63 R HN 0.250 nan 8.270 nan 0.000 0.493 64 R N -1.169 119.273 120.500 -0.097 0.000 2.342 64 R HA 0.167 4.507 4.340 0.001 0.000 0.204 64 R C 0.241 176.297 176.300 -0.407 0.000 0.882 64 R CA 0.107 56.042 56.100 -0.274 0.000 1.041 64 R CB 0.310 30.395 30.300 -0.358 0.000 1.188 64 R HN 0.226 nan 8.270 nan 0.000 0.598 65 F N 0.332 120.236 119.950 -0.077 0.000 2.817 65 F HA 0.450 4.978 4.527 0.001 0.000 0.333 65 F C 0.804 176.632 175.800 0.046 0.000 1.085 65 F CA 0.345 58.318 58.000 -0.044 0.000 1.170 65 F CB 1.854 40.781 39.000 -0.122 0.000 1.066 65 F HN 0.317 nan 8.300 nan 0.000 0.564 66 G N 0.801 109.733 108.800 0.221 0.000 2.698 66 G HA2 -0.244 3.716 3.960 0.001 0.000 0.225 66 G HA3 -0.244 3.716 3.960 0.001 0.000 0.225 66 G C -0.053 175.014 174.900 0.277 0.000 1.345 66 G CA -0.107 45.122 45.100 0.216 0.000 0.871 66 G HN 0.068 nan 8.290 nan 0.000 0.540 67 D N -0.759 119.770 120.400 0.214 0.000 2.120 67 D HA 0.051 4.692 4.640 0.001 0.000 0.202 67 D C 1.663 178.023 176.300 0.100 0.000 0.972 67 D CA 1.769 55.867 54.000 0.163 0.000 0.837 67 D CB -0.186 40.675 40.800 0.100 0.000 0.989 67 D HN 0.494 nan 8.370 nan 0.000 0.469 68 V N 2.243 122.217 119.914 0.100 0.000 2.461 68 V HA 0.368 4.489 4.120 0.001 0.000 0.275 68 V C -0.054 176.001 176.094 -0.066 0.000 1.047 68 V CA -0.490 61.781 62.300 -0.049 0.000 0.955 68 V CB 0.095 31.963 31.823 0.076 0.000 0.988 68 V HN 0.053 nan 8.190 nan 0.000 0.471 69 F N 1.531 121.349 119.950 -0.221 0.000 2.685 69 F HA 0.845 5.373 4.527 0.001 0.000 0.315 69 F C -0.422 175.175 175.800 -0.338 0.000 1.126 69 F CA -0.934 56.867 58.000 -0.333 0.000 0.950 69 F CB 1.789 40.602 39.000 -0.312 0.000 1.360 69 F HN 0.226 nan 8.300 nan 0.000 0.469 70 S N 1.665 117.315 115.700 -0.083 0.000 2.472 70 S HA 0.721 5.191 4.470 0.001 0.000 0.303 70 S C -1.137 173.454 174.600 -0.015 0.000 1.099 70 S CA -0.489 57.642 58.200 -0.115 0.000 1.077 70 S CB 1.322 64.426 63.200 -0.161 0.000 1.031 70 S HN 0.486 nan 8.310 nan 0.000 0.487 71 L N 3.072 124.298 121.223 0.004 0.000 2.334 71 L HA 0.490 4.830 4.340 0.001 0.000 0.275 71 L C 0.733 177.638 176.870 0.057 0.000 1.036 71 L CA 0.461 55.339 54.840 0.063 0.000 0.807 71 L CB 0.731 42.854 42.059 0.107 0.000 1.231 71 L HN 0.839 nan 8.230 nan 0.000 0.438 72 Q N 1.225 121.084 119.800 0.099 0.000 2.487 72 Q HA -0.236 4.105 4.340 0.001 0.000 0.279 72 Q C 1.191 177.287 176.000 0.161 0.000 1.228 72 Q CA 0.408 56.318 55.803 0.178 0.000 0.873 72 Q CB -1.127 27.711 28.738 0.167 0.000 1.260 72 Q HN 0.643 nan 8.270 nan 0.000 0.471 73 L N -1.004 120.260 121.223 0.069 0.000 2.064 73 L HA -0.335 4.006 4.340 0.001 0.000 0.216 73 L C 2.147 179.020 176.870 0.005 0.000 1.077 73 L CA 2.144 56.990 54.840 0.010 0.000 0.766 73 L CB -0.472 41.565 42.059 -0.037 0.000 0.890 73 L HN 0.623 nan 8.230 nan 0.000 0.435 74 A N -1.745 121.073 122.820 -0.003 0.000 2.016 74 A HA -0.133 4.187 4.320 0.001 0.000 0.217 74 A C 1.401 178.802 177.584 -0.304 0.000 1.162 74 A CA 0.719 52.639 52.037 -0.194 0.000 0.662 74 A CB -0.383 18.429 19.000 -0.313 0.000 0.812 74 A HN 0.476 nan 8.150 nan 0.000 0.450 75 W N 0.371 121.667 121.300 -0.007 0.000 2.969 75 W HA 0.252 4.912 4.660 0.001 0.000 0.298 75 W C 0.830 177.345 176.519 -0.007 0.000 1.469 75 W CA 1.268 58.611 57.345 -0.004 0.000 1.580 75 W CB -0.974 28.488 29.460 0.002 0.000 1.468 75 W HN 0.084 nan 8.180 nan 0.000 0.487 76 T N -0.011 114.703 114.554 0.267 0.000 2.779 76 T HA 0.426 4.777 4.350 0.001 0.000 0.280 76 T C -2.491 172.267 174.700 0.097 0.000 0.987 76 T CA -2.411 59.765 62.100 0.126 0.000 0.966 76 T CB 1.471 70.394 68.868 0.091 0.000 0.933 76 T HN -0.171 nan 8.240 nan 0.000 0.442 77 P HA 0.245 nan 4.420 nan 0.000 0.268 77 P C -0.763 176.536 177.300 -0.001 0.000 1.204 77 P CA -0.349 62.760 63.100 0.015 0.000 0.768 77 P CB 0.786 32.473 31.700 -0.022 0.000 0.842 78 V N 4.600 124.508 119.914 -0.012 0.000 2.448 78 V HA 0.222 4.342 4.120 0.001 0.000 0.295 78 V C 0.294 176.325 176.094 -0.105 0.000 1.025 78 V CA -0.727 61.553 62.300 -0.034 0.000 0.859 78 V CB 2.174 34.001 31.823 0.006 0.000 0.988 78 V HN 0.266 nan 8.190 nan 0.000 0.431 79 V N 5.796 125.620 119.914 -0.150 0.000 2.435 79 V HA 0.447 4.568 4.120 0.001 0.000 0.290 79 V C -0.127 175.743 176.094 -0.373 0.000 1.030 79 V CA -0.587 61.558 62.300 -0.258 0.000 0.881 79 V CB 1.941 33.641 31.823 -0.206 0.000 0.983 79 V HN 0.606 nan 8.190 nan 0.000 0.445 80 V N 6.616 126.128 119.914 -0.670 0.000 2.370 80 V HA 0.427 4.548 4.120 0.001 0.000 0.279 80 V C -0.083 175.579 176.094 -0.721 0.000 1.029 80 V CA -0.472 61.316 62.300 -0.853 0.000 0.870 80 V CB 1.266 32.159 31.823 -1.551 0.000 0.984 80 V HN 0.618 nan 8.190 nan 0.000 0.451 81 L N 4.937 125.904 121.223 -0.426 0.000 2.292 81 L HA 0.528 4.869 4.340 0.001 0.000 0.284 81 L C 1.026 177.767 176.870 -0.216 0.000 1.065 81 L CA -0.060 54.616 54.840 -0.274 0.000 0.806 81 L CB 0.865 42.812 42.059 -0.187 0.000 1.175 81 L HN 0.622 nan 8.230 nan 0.000 0.431 82 N N 1.569 120.189 118.700 -0.134 0.000 2.594 82 N HA 0.069 4.810 4.740 0.001 0.000 0.237 82 N C 0.820 176.325 175.510 -0.009 0.000 1.057 82 N CA 0.221 53.239 53.050 -0.054 0.000 0.883 82 N CB 0.524 39.019 38.487 0.014 0.000 1.538 82 N HN 0.708 nan 8.380 nan 0.000 0.451 83 G N 1.717 110.519 108.800 0.003 0.000 2.732 83 G HA2 0.096 4.056 3.960 0.001 0.000 0.244 83 G HA3 0.096 4.056 3.960 0.001 0.000 0.244 83 G C 1.123 176.021 174.900 -0.003 0.000 1.226 83 G CA -0.291 44.814 45.100 0.008 0.000 0.860 83 G HN 0.152 nan 8.290 nan 0.000 0.583 84 L N 1.198 122.420 121.223 -0.001 0.000 2.046 84 L HA 0.032 4.373 4.340 0.001 0.000 0.208 84 L C 2.923 179.787 176.870 -0.010 0.000 1.077 84 L CA 2.757 57.595 54.840 -0.004 0.000 0.747 84 L CB -0.837 41.215 42.059 -0.012 0.000 0.896 84 L HN 0.594 nan 8.230 nan 0.000 0.432 85 A N -0.002 122.812 122.820 -0.010 0.000 1.892 85 A HA -0.197 4.124 4.320 0.001 0.000 0.218 85 A C 2.493 180.075 177.584 -0.003 0.000 1.188 85 A CA 2.379 54.411 52.037 -0.008 0.000 0.631 85 A CB -1.372 17.626 19.000 -0.005 0.000 0.822 85 A HN 0.645 nan 8.150 nan 0.000 0.447 86 A N -0.850 121.968 122.820 -0.003 0.000 1.898 86 A HA 0.035 4.355 4.320 0.001 0.000 0.216 86 A C 2.251 179.818 177.584 -0.029 0.000 1.181 86 A CA 1.771 53.803 52.037 -0.009 0.000 0.620 86 A CB -0.933 18.057 19.000 -0.016 0.000 0.819 86 A HN 0.419 nan 8.150 nan 0.000 0.442 87 V N -0.106 119.785 119.914 -0.039 0.000 2.295 87 V HA -0.233 3.888 4.120 0.001 0.000 0.246 87 V C 2.653 178.725 176.094 -0.038 0.000 1.049 87 V CA 2.158 64.424 62.300 -0.056 0.000 1.024 87 V CB -0.783 31.008 31.823 -0.054 0.000 0.648 87 V HN 0.525 nan 8.190 nan 0.000 0.447 88 R N -0.284 120.206 120.500 -0.017 0.000 2.073 88 R HA -0.211 4.130 4.340 0.001 0.000 0.234 88 R C 2.432 178.732 176.300 0.001 0.000 1.134 88 R CA 1.955 58.052 56.100 -0.006 0.000 0.952 88 R CB -0.268 30.030 30.300 -0.003 0.000 0.850 88 R HN 0.644 nan 8.270 nan 0.000 0.433 89 E N -0.444 119.763 120.200 0.011 0.000 2.153 89 E HA -0.180 4.171 4.350 0.001 0.000 0.194 89 E C 1.598 178.268 176.600 0.116 0.000 0.988 89 E CA 1.218 57.648 56.400 0.050 0.000 0.811 89 E CB 0.047 29.780 29.700 0.055 0.000 0.746 89 E HN 0.401 nan 8.360 nan 0.000 0.466 90 A N 0.212 123.060 122.820 0.047 0.000 1.903 90 A HA 0.031 4.352 4.320 0.001 0.000 0.213 90 A C 2.004 179.594 177.584 0.009 0.000 1.185 90 A CA 0.552 52.606 52.037 0.029 0.000 0.628 90 A CB -0.128 18.836 19.000 -0.059 0.000 0.830 90 A HN 0.244 nan 8.150 nan 0.000 0.446 91 L N -0.924 120.279 121.223 -0.032 0.000 2.357 91 L HA 0.036 4.376 4.340 0.001 0.000 0.211 91 L C 2.082 178.957 176.870 0.007 0.000 1.075 91 L CA 0.298 55.111 54.840 -0.045 0.000 0.830 91 L CB -0.081 41.918 42.059 -0.099 0.000 0.996 91 L HN 0.214 nan 8.230 nan 0.000 0.467 92 V N -1.251 118.668 119.914 0.008 0.000 2.398 92 V HA -0.100 4.020 4.120 0.001 0.000 0.236 92 V C 2.413 178.497 176.094 -0.017 0.000 1.054 92 V CA 1.706 64.013 62.300 0.011 0.000 1.060 92 V CB -0.713 31.116 31.823 0.009 0.000 0.707 92 V HN 0.252 nan 8.190 nan 0.000 0.480 93 T N 0.299 114.824 114.554 -0.049 0.000 2.597 93 T HA -0.246 4.105 4.350 0.001 0.000 0.267 93 T C 1.398 175.949 174.700 -0.248 0.000 1.053 93 T CA 2.071 64.073 62.100 -0.164 0.000 1.165 93 T CB -0.463 68.275 68.868 -0.217 0.000 0.863 93 T HN 0.542 nan 8.240 nan 0.000 0.427 94 H N 0.103 119.157 119.070 -0.025 0.000 2.537 94 H HA 0.352 4.909 4.556 0.001 0.000 0.295 94 H C 2.128 177.429 175.328 -0.046 0.000 1.054 94 H CA 0.110 56.138 56.048 -0.034 0.000 1.156 94 H CB -0.332 29.405 29.762 -0.042 0.000 1.468 94 H HN 0.438 nan 8.280 nan 0.000 0.551 95 G N 1.826 110.652 108.800 0.043 0.000 2.507 95 G HA2 -0.333 3.628 3.960 0.001 0.000 0.221 95 G HA3 -0.333 3.628 3.960 0.001 0.000 0.221 95 G C 1.528 176.417 174.900 -0.019 0.000 1.119 95 G CA 1.034 46.149 45.100 0.025 0.000 0.751 95 G HN 0.604 nan 8.290 nan 0.000 0.574 96 E N -0.465 119.725 120.200 -0.017 0.000 2.482 96 E HA -0.010 4.340 4.350 0.001 0.000 0.196 96 E C 0.691 177.148 176.600 -0.239 0.000 1.047 96 E CA 0.901 57.257 56.400 -0.074 0.000 0.869 96 E CB 0.066 29.787 29.700 0.034 0.000 0.836 96 E HN 0.279 nan 8.360 nan 0.000 0.520 97 D N 0.772 121.080 120.400 -0.154 0.000 2.469 97 D HA -0.000 4.640 4.640 0.001 0.000 0.213 97 D C 0.780 176.971 176.300 -0.181 0.000 1.135 97 D CA 0.810 54.707 54.000 -0.172 0.000 0.834 97 D CB 1.266 42.033 40.800 -0.054 0.000 1.009 97 D HN 0.298 nan 8.370 nan 0.000 0.507 98 T N -2.782 111.676 114.554 -0.161 0.000 3.200 98 T HA 0.420 4.770 4.350 0.001 0.000 0.284 98 T C 1.170 175.845 174.700 -0.042 0.000 1.009 98 T CA -0.237 61.810 62.100 -0.088 0.000 0.907 98 T CB 0.528 69.372 68.868 -0.041 0.000 1.120 98 T HN -0.056 nan 8.240 nan 0.000 0.534 99 A N 0.860 123.522 122.820 -0.265 0.000 2.370 99 A HA 0.433 4.754 4.320 0.001 0.000 0.238 99 A C 0.417 177.730 177.584 -0.451 0.000 1.289 99 A CA -0.316 51.524 52.037 -0.330 0.000 0.885 99 A CB -0.391 18.385 19.000 -0.373 0.000 0.961 99 A HN 0.520 nan 8.150 nan 0.000 0.499 100 D N -0.397 119.806 120.400 -0.328 0.000 2.277 100 D HA 0.519 5.159 4.640 0.001 0.000 0.250 100 D C -0.067 176.083 176.300 -0.249 0.000 1.032 100 D CA -0.395 53.462 54.000 -0.239 0.000 0.947 100 D CB 0.827 41.550 40.800 -0.129 0.000 1.159 100 D HN 0.021 nan 8.370 nan 0.000 0.460 101 R N 1.472 121.844 120.500 -0.213 0.000 2.460 101 R HA 0.539 4.879 4.340 0.001 0.000 0.303 101 R C -2.433 173.810 176.300 -0.095 0.000 0.968 101 R CA -2.195 53.789 56.100 -0.193 0.000 0.889 101 R CB 1.480 31.662 30.300 -0.197 0.000 1.123 101 R HN 0.301 nan 8.270 nan 0.000 0.455 102 P HA 0.195 nan 4.420 nan 0.000 0.275 102 P C -2.431 174.854 177.300 -0.025 0.000 1.227 102 P CA -1.191 61.890 63.100 -0.032 0.000 0.781 102 P CB 0.200 31.892 31.700 -0.013 0.000 0.906 103 P HA 0.021 nan 4.420 nan 0.000 0.268 103 P C -0.726 176.558 177.300 -0.027 0.000 1.208 103 P CA 0.291 63.380 63.100 -0.019 0.000 0.777 103 P CB 0.347 32.039 31.700 -0.013 0.000 0.875 104 V N -2.215 117.666 119.914 -0.054 0.000 2.971 104 V HA 0.378 4.499 4.120 0.001 0.000 0.309 104 V C -2.300 173.694 176.094 -0.167 0.000 1.130 104 V CA -2.189 60.063 62.300 -0.079 0.000 0.964 104 V CB 1.562 33.339 31.823 -0.076 0.000 1.029 104 V HN 0.183 nan 8.190 nan 0.000 0.427 105 P HA 0.037 nan 4.420 nan 0.000 0.225 105 P C 1.545 178.526 177.300 -0.531 0.000 1.148 105 P CA 1.088 63.992 63.100 -0.326 0.000 0.779 105 P CB 0.112 31.629 31.700 -0.305 0.000 0.780 106 I N -0.121 120.077 120.570 -0.620 0.000 2.091 106 I HA -0.345 3.826 4.170 0.001 0.000 0.239 106 I C 2.587 178.322 176.117 -0.636 0.000 1.061 106 I CA 2.409 63.349 61.300 -0.600 0.000 1.317 106 I CB -1.720 36.032 38.000 -0.414 0.000 1.031 106 I HN 0.118 nan 8.210 nan 0.000 0.401 107 T N -0.911 113.257 114.554 -0.644 0.000 2.624 107 T HA -0.378 3.972 4.350 0.001 0.000 0.268 107 T C 1.871 176.241 174.700 -0.550 0.000 1.041 107 T CA 2.199 63.767 62.100 -0.888 0.000 1.159 107 T CB -0.668 68.026 68.868 -0.289 0.000 0.863 107 T HN 0.480 nan 8.240 nan 0.000 0.434 108 Q N 0.166 119.779 119.800 -0.312 0.000 2.079 108 Q HA 0.030 4.371 4.340 0.001 0.000 0.200 108 Q C 2.485 178.373 176.000 -0.187 0.000 0.974 108 Q CA 1.381 57.076 55.803 -0.181 0.000 0.840 108 Q CB -0.248 28.411 28.738 -0.132 0.000 0.898 108 Q HN 0.720 nan 8.270 nan 0.000 0.430 109 I N 0.530 120.943 120.570 -0.261 0.000 2.202 109 I HA -0.274 3.897 4.170 0.001 0.000 0.242 109 I C 1.682 177.700 176.117 -0.165 0.000 1.091 109 I CA 0.933 62.109 61.300 -0.206 0.000 1.368 109 I CB -0.077 37.763 38.000 -0.268 0.000 1.058 109 I HN 0.253 nan 8.210 nan 0.000 0.410 110 L N 1.071 122.145 121.223 -0.249 0.000 2.675 110 L HA 0.095 4.436 4.340 0.001 0.000 0.238 110 L C 1.140 178.022 176.870 0.020 0.000 1.155 110 L CA 0.211 54.972 54.840 -0.133 0.000 0.881 110 L CB -1.134 40.798 42.059 -0.213 0.000 1.008 110 L HN 0.480 nan 8.230 nan 0.000 0.443 111 G N -0.040 108.751 108.800 -0.015 0.000 2.371 111 G HA2 -0.300 3.661 3.960 0.001 0.000 0.299 111 G HA3 -0.300 3.661 3.960 0.001 0.000 0.299 111 G C 0.543 175.572 174.900 0.216 0.000 1.014 111 G CA 0.181 45.322 45.100 0.068 0.000 1.097 111 G HN 0.339 nan 8.290 nan 0.000 0.512 112 F N 0.668 120.607 119.950 -0.018 0.000 2.017 112 F HA 0.264 4.792 4.527 0.001 0.000 0.289 112 F C 2.371 178.167 175.800 -0.006 0.000 1.233 112 F CA 1.140 59.135 58.000 -0.009 0.000 1.140 112 F CB -0.378 38.620 39.000 -0.003 0.000 0.987 112 F HN 0.897 nan 8.300 nan 0.000 0.489 113 G N 0.357 109.300 108.800 0.239 0.000 2.525 113 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 113 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 113 G C -2.040 172.899 174.900 0.064 0.000 1.238 113 G CA -0.230 44.937 45.100 0.112 0.000 0.926 113 G HN 0.272 nan 8.290 nan 0.000 0.574 114 P HA -0.122 nan 4.420 nan 0.000 0.207 114 P C 0.868 178.171 177.300 0.004 0.000 0.926 114 P CA 2.196 65.307 63.100 0.019 0.000 0.982 114 P CB -0.242 31.465 31.700 0.011 0.000 0.686 115 R N -0.251 120.239 120.500 -0.017 0.000 3.472 115 R HA 0.443 4.784 4.340 0.001 0.000 0.322 115 R C -0.489 175.766 176.300 -0.075 0.000 1.330 115 R CA -0.177 55.897 56.100 -0.043 0.000 1.387 115 R CB -0.442 29.831 30.300 -0.044 0.000 1.446 115 R HN 0.038 nan 8.270 nan 0.000 0.628 116 S N 0.551 116.192 115.700 -0.099 0.000 2.694 116 S HA 0.155 4.625 4.470 0.001 0.000 0.232 116 S C -0.551 173.806 174.600 -0.405 0.000 1.017 116 S CA -0.767 57.325 58.200 -0.179 0.000 1.139 116 S CB 0.478 63.615 63.200 -0.105 0.000 1.247 116 S HN 0.461 nan 8.310 nan 0.000 0.452 117 Q N 0.186 119.758 119.800 -0.380 0.000 2.359 117 Q HA 0.766 5.107 4.340 0.001 0.000 0.275 117 Q C 0.899 176.679 176.000 -0.368 0.000 1.082 117 Q CA -1.163 54.281 55.803 -0.598 0.000 0.849 117 Q CB 1.044 29.720 28.738 -0.104 0.000 1.377 117 Q HN 0.286 nan 8.270 nan 0.000 0.452 118 G N -0.189 108.449 108.800 -0.270 0.000 3.197 118 G HA2 0.208 4.169 3.960 0.001 0.000 0.167 118 G HA3 0.208 4.169 3.960 0.001 0.000 0.167 118 G C 0.468 175.428 174.900 0.099 0.000 1.914 118 G CA 0.202 45.269 45.100 -0.056 0.000 0.956 118 G HN 0.370 nan 8.290 nan 0.000 0.480 119 V N -1.394 118.657 119.914 0.227 0.000 3.058 119 V HA 0.207 4.327 4.120 0.001 0.000 0.233 119 V C 2.064 178.430 176.094 0.454 0.000 1.255 119 V CA 0.285 62.794 62.300 0.348 0.000 1.267 119 V CB -0.585 31.386 31.823 0.247 0.000 1.049 119 V HN 0.373 nan 8.190 nan 0.000 0.486 120 F N 1.362 121.461 119.950 0.247 0.000 2.065 120 F HA -0.171 4.356 4.527 0.001 0.000 0.298 120 F C 1.736 177.635 175.800 0.165 0.000 1.112 120 F CA 2.132 60.258 58.000 0.211 0.000 1.212 120 F CB 0.073 39.185 39.000 0.188 0.000 0.975 120 F HN 0.017 nan 8.300 nan 0.000 0.476 121 L N -0.808 120.627 121.223 0.353 0.000 2.693 121 L HA 0.362 4.703 4.340 0.001 0.000 0.235 121 L C 0.910 177.892 176.870 0.187 0.000 1.127 121 L CA -0.191 54.783 54.840 0.224 0.000 0.914 121 L CB -0.771 41.476 42.059 0.314 0.000 1.193 121 L HN 0.019 nan 8.230 nan 0.000 0.502 122 A N 1.163 124.113 122.820 0.216 0.000 2.483 122 A HA 0.268 4.588 4.320 0.001 0.000 0.238 122 A C 0.330 177.947 177.584 0.056 0.000 1.070 122 A CA 0.077 52.226 52.037 0.186 0.000 0.770 122 A CB 0.138 19.306 19.000 0.282 0.000 1.008 122 A HN 0.316 nan 8.150 nan 0.000 0.497 123 R N 0.273 120.808 120.500 0.058 0.000 2.410 123 R HA 0.187 4.528 4.340 0.001 0.000 0.288 123 R C -0.767 175.529 176.300 -0.005 0.000 1.051 123 R CA -0.429 55.669 56.100 -0.003 0.000 1.021 123 R CB 0.671 30.988 30.300 0.029 0.000 1.032 123 R HN 0.738 nan 8.270 nan 0.000 0.481 124 Y N 1.557 121.725 120.300 -0.219 0.000 2.804 124 Y HA 0.087 4.637 4.550 0.001 0.000 0.338 124 Y C 0.559 176.458 175.900 -0.001 0.000 1.252 124 Y CA 1.777 59.759 58.100 -0.197 0.000 1.576 124 Y CB 0.059 38.368 38.460 -0.252 0.000 1.223 124 Y HN 0.767 nan 8.280 nan 0.000 0.536 125 G N 5.463 114.100 108.800 -0.272 0.000 2.342 125 G HA2 0.149 4.109 3.960 0.001 0.000 0.297 125 G HA3 0.149 4.109 3.960 0.001 0.000 0.297 125 G C -2.514 172.313 174.900 -0.122 0.000 1.313 125 G CA -0.542 44.458 45.100 -0.166 0.000 0.830 125 G HN 0.248 nan 8.290 nan 0.000 0.506 126 P HA -0.203 nan 4.420 nan 0.000 0.217 126 P C 2.186 179.464 177.300 -0.036 0.000 1.162 126 P CA 2.961 66.033 63.100 -0.046 0.000 0.901 126 P CB -0.230 31.454 31.700 -0.027 0.000 0.793 127 A N -0.529 122.280 122.820 -0.017 0.000 1.859 127 A HA -0.233 4.088 4.320 0.001 0.000 0.218 127 A C 2.312 179.896 177.584 0.001 0.000 1.209 127 A CA 2.435 54.457 52.037 -0.024 0.000 0.639 127 A CB -2.123 16.878 19.000 0.002 0.000 0.835 127 A HN 0.350 nan 8.150 nan 0.000 0.450 128 W N 0.404 121.640 121.300 -0.106 0.000 2.358 128 W HA -0.168 4.493 4.660 0.001 0.000 0.303 128 W C 2.461 178.937 176.519 -0.072 0.000 1.208 128 W CA 2.020 59.320 57.345 -0.074 0.000 1.274 128 W CB -0.195 29.235 29.460 -0.051 0.000 1.138 128 W HN 0.269 nan 8.180 nan 0.000 0.515 129 R N 0.231 120.699 120.500 -0.054 0.000 2.082 129 R HA -0.214 4.127 4.340 0.001 0.000 0.234 129 R C 2.240 178.382 176.300 -0.263 0.000 1.136 129 R CA 1.927 57.875 56.100 -0.253 0.000 0.935 129 R CB -0.946 29.311 30.300 -0.071 0.000 0.842 129 R HN 0.193 nan 8.270 nan 0.000 0.430 130 E N 0.195 120.301 120.200 -0.156 0.000 2.172 130 E HA -0.290 4.061 4.350 0.001 0.000 0.213 130 E C 1.968 178.470 176.600 -0.164 0.000 1.051 130 E CA 1.686 58.005 56.400 -0.135 0.000 0.860 130 E CB -0.003 29.584 29.700 -0.187 0.000 0.755 130 E HN 0.375 nan 8.360 nan 0.000 0.462 131 Q N -0.782 118.867 119.800 -0.251 0.000 2.373 131 Q HA 0.056 4.397 4.340 0.001 0.000 0.210 131 Q C 2.128 178.038 176.000 -0.150 0.000 0.913 131 Q CA 0.095 55.795 55.803 -0.171 0.000 0.911 131 Q CB 0.019 28.654 28.738 -0.171 0.000 1.040 131 Q HN 0.199 nan 8.270 nan 0.000 0.521 132 R N 0.790 121.020 120.500 -0.451 0.000 2.073 132 R HA -0.041 4.299 4.340 0.001 0.000 0.234 132 R C 2.188 178.361 176.300 -0.211 0.000 1.134 132 R CA 1.088 56.910 56.100 -0.463 0.000 0.952 132 R CB 0.084 29.814 30.300 -0.951 0.000 0.850 132 R HN 0.127 nan 8.270 nan 0.000 0.433 133 R N -0.593 119.801 120.500 -0.177 0.000 2.073 133 R HA -0.172 4.169 4.340 0.001 0.000 0.234 133 R C 2.232 178.549 176.300 0.027 0.000 1.134 133 R CA 1.791 57.854 56.100 -0.060 0.000 0.952 133 R CB -0.491 29.787 30.300 -0.038 0.000 0.850 133 R HN 0.222 nan 8.270 nan 0.000 0.433 134 F N 1.209 121.148 119.950 -0.018 0.000 2.095 134 F HA -0.257 4.271 4.527 0.001 0.000 0.298 134 F C 2.271 178.108 175.800 0.061 0.000 1.104 134 F CA 1.815 59.859 58.000 0.073 0.000 1.232 134 F CB -0.160 38.953 39.000 0.188 0.000 0.987 134 F HN -0.109 nan 8.300 nan 0.000 0.475 135 S N 0.081 115.745 115.700 -0.060 0.000 2.371 135 S HA -0.157 4.314 4.470 0.001 0.000 0.224 135 S C 2.287 176.802 174.600 -0.142 0.000 1.029 135 S CA 1.245 59.360 58.200 -0.142 0.000 0.978 135 S CB -0.644 62.583 63.200 0.045 0.000 0.833 135 S HN 0.489 nan 8.310 nan 0.000 0.466 136 V N 0.564 120.423 119.914 -0.091 0.000 2.295 136 V HA -0.133 3.988 4.120 0.001 0.000 0.246 136 V C 2.035 178.070 176.094 -0.099 0.000 1.049 136 V CA 2.269 64.525 62.300 -0.074 0.000 1.024 136 V CB -1.342 30.454 31.823 -0.046 0.000 0.648 136 V HN 0.369 nan 8.190 nan 0.000 0.447 137 S N 0.612 116.244 115.700 -0.115 0.000 2.368 137 S HA -0.248 4.222 4.470 0.001 0.000 0.226 137 S C 1.992 176.492 174.600 -0.167 0.000 1.044 137 S CA 2.574 60.701 58.200 -0.121 0.000 1.062 137 S CB -0.820 62.313 63.200 -0.112 0.000 0.931 137 S HN 0.851 nan 8.310 nan 0.000 0.440 138 T N 2.122 116.500 114.554 -0.293 0.000 2.904 138 T HA 0.137 4.488 4.350 0.001 0.000 0.267 138 T C 1.696 176.307 174.700 -0.149 0.000 1.059 138 T CA 0.727 62.650 62.100 -0.295 0.000 1.137 138 T CB -0.201 68.328 68.868 -0.567 0.000 0.879 138 T HN 0.261 nan 8.240 nan 0.000 0.467 139 L N 0.372 121.523 121.223 -0.120 0.000 2.240 139 L HA 0.081 4.422 4.340 0.001 0.000 0.211 139 L C 2.831 179.666 176.870 -0.059 0.000 1.106 139 L CA 0.787 55.592 54.840 -0.058 0.000 0.793 139 L CB -0.441 41.597 42.059 -0.035 0.000 0.927 139 L HN 0.154 nan 8.230 nan 0.000 0.446 140 R N 0.786 121.245 120.500 -0.068 0.000 2.064 140 R HA -0.146 4.194 4.340 0.001 0.000 0.228 140 R C 2.111 178.372 176.300 -0.065 0.000 1.144 140 R CA 1.783 57.847 56.100 -0.060 0.000 0.932 140 R CB -0.157 30.111 30.300 -0.053 0.000 0.833 140 R HN 0.337 nan 8.270 nan 0.000 0.429 141 N N 0.990 119.649 118.700 -0.068 0.000 2.091 141 N HA -0.211 4.530 4.740 0.001 0.000 0.193 141 N C 1.907 177.372 175.510 -0.075 0.000 1.021 141 N CA 1.542 54.554 53.050 -0.062 0.000 0.862 141 N CB -0.393 38.062 38.487 -0.054 0.000 1.018 141 N HN 0.314 nan 8.380 nan 0.000 0.429 142 L N -0.017 121.156 121.223 -0.084 0.000 2.240 142 L HA 0.062 4.403 4.340 0.001 0.000 0.211 142 L C 2.445 179.212 176.870 -0.172 0.000 1.106 142 L CA 0.723 55.482 54.840 -0.135 0.000 0.793 142 L CB -0.727 41.275 42.059 -0.096 0.000 0.927 142 L HN 0.171 nan 8.230 nan 0.000 0.446 143 G N 0.935 109.667 108.800 -0.112 0.000 2.552 143 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 143 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 143 G C 1.366 176.202 174.900 -0.107 0.000 1.240 143 G CA 0.898 45.938 45.100 -0.100 0.000 0.796 143 G HN 0.133 nan 8.290 nan 0.000 0.568 144 L N 0.447 121.618 121.223 -0.086 0.000 1.972 144 L HA 0.273 4.613 4.340 0.001 0.000 0.209 144 L C 2.952 179.769 176.870 -0.087 0.000 1.125 144 L CA 1.258 56.053 54.840 -0.076 0.000 0.784 144 L CB -1.409 40.615 42.059 -0.057 0.000 0.902 144 L HN 0.424 nan 8.230 nan 0.000 0.444 145 G N 0.027 108.783 108.800 -0.074 0.000 3.159 145 G HA2 -0.434 3.526 3.960 0.001 0.000 0.338 145 G HA3 -0.434 3.526 3.960 0.001 0.000 0.338 145 G C 0.909 175.768 174.900 -0.069 0.000 1.618 145 G CA 1.638 46.697 45.100 -0.068 0.000 1.726 145 G HN 0.450 nan 8.290 nan 0.000 0.932 146 K N 0.515 120.857 120.400 -0.096 0.000 3.309 146 K HA 0.370 4.690 4.320 0.001 0.000 0.187 146 K C 0.161 176.681 176.600 -0.133 0.000 1.085 146 K CA 0.046 56.279 56.287 -0.091 0.000 0.867 146 K CB 0.665 33.126 32.500 -0.065 0.000 0.846 146 K HN 0.516 nan 8.250 nan 0.000 0.522 147 K N -0.891 119.425 120.400 -0.140 0.000 2.971 147 K HA -0.293 4.027 4.320 0.001 0.000 0.265 147 K C 0.909 177.330 176.600 -0.298 0.000 1.052 147 K CA 0.650 56.836 56.287 -0.168 0.000 0.780 147 K CB -1.609 30.822 32.500 -0.114 0.000 1.214 147 K HN 0.201 nan 8.250 nan 0.000 0.478 148 S N 0.872 116.322 115.700 -0.417 0.000 2.378 148 S HA -0.126 4.344 4.470 0.001 0.000 0.221 148 S C 1.784 175.659 174.600 -1.207 0.000 1.037 148 S CA 1.552 59.248 58.200 -0.840 0.000 1.069 148 S CB -0.047 62.674 63.200 -0.798 0.000 1.006 148 S HN 0.366 nan 8.310 nan 0.000 0.423 149 L N 1.015 121.755 121.223 -0.806 0.000 2.012 149 L HA -0.196 4.145 4.340 0.001 0.000 0.210 149 L C 2.693 179.433 176.870 -0.217 0.000 1.073 149 L CA 1.693 56.277 54.840 -0.426 0.000 0.748 149 L CB -0.564 41.399 42.059 -0.161 0.000 0.891 149 L HN 0.458 nan 8.230 nan 0.000 0.431 150 E N -0.408 119.671 120.200 -0.201 0.000 2.070 150 E HA -0.321 4.029 4.350 0.001 0.000 0.197 150 E C 2.215 178.759 176.600 -0.094 0.000 1.004 150 E CA 1.636 57.970 56.400 -0.111 0.000 0.805 150 E CB -0.031 29.615 29.700 -0.089 0.000 0.744 150 E HN 0.401 nan 8.360 nan 0.000 0.451 151 Q N -0.427 119.271 119.800 -0.171 0.000 2.030 151 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 151 Q C 1.956 178.005 176.000 0.082 0.000 0.986 151 Q CA 1.872 57.626 55.803 -0.081 0.000 0.843 151 Q CB -0.184 28.460 28.738 -0.157 0.000 0.904 151 Q HN 0.444 nan 8.270 nan 0.000 0.420 152 W N -0.030 121.273 121.300 0.006 0.000 2.321 152 W HA -0.168 4.493 4.660 0.001 0.000 0.306 152 W C 2.175 178.704 176.519 0.018 0.000 1.217 152 W CA 0.667 58.022 57.345 0.017 0.000 1.257 152 W CB -1.219 28.255 29.460 0.023 0.000 1.145 152 W HN 0.086 nan 8.180 nan 0.000 0.509 153 V N 0.750 120.776 119.914 0.185 0.000 2.270 153 V HA -0.304 3.817 4.120 0.001 0.000 0.245 153 V C 2.340 178.389 176.094 -0.075 0.000 1.043 153 V CA 2.813 65.112 62.300 -0.001 0.000 1.014 153 V CB -1.643 30.098 31.823 -0.137 0.000 0.645 153 V HN 0.153 nan 8.190 nan 0.000 0.447 154 T N 1.405 115.935 114.554 -0.041 0.000 2.653 154 T HA -0.306 4.045 4.350 0.001 0.000 0.268 154 T C 1.694 176.421 174.700 0.044 0.000 1.035 154 T CA 2.074 64.161 62.100 -0.022 0.000 1.154 154 T CB -0.564 68.306 68.868 0.002 0.000 0.862 154 T HN 0.849 nan 8.240 nan 0.000 0.441 155 E N 1.441 121.691 120.200 0.084 0.000 2.106 155 E HA -0.173 4.178 4.350 0.001 0.000 0.192 155 E C 2.183 178.868 176.600 0.141 0.000 0.984 155 E CA 1.111 57.572 56.400 0.101 0.000 0.806 155 E CB -0.267 29.495 29.700 0.104 0.000 0.750 155 E HN 0.365 nan 8.360 nan 0.000 0.458 156 E N 1.572 121.892 120.200 0.200 0.000 2.077 156 E HA -0.138 4.212 4.350 0.001 0.000 0.193 156 E C 2.026 178.900 176.600 0.456 0.000 0.989 156 E CA 1.628 58.230 56.400 0.338 0.000 0.800 156 E CB -0.436 29.538 29.700 0.458 0.000 0.746 156 E HN 0.379 nan 8.360 nan 0.000 0.452 157 A N 0.595 123.645 122.820 0.383 0.000 1.940 157 A HA -0.138 4.182 4.320 0.001 0.000 0.219 157 A C 2.403 180.122 177.584 0.225 0.000 1.176 157 A CA 2.231 54.500 52.037 0.387 0.000 0.631 157 A CB -0.927 18.145 19.000 0.120 0.000 0.814 157 A HN 0.357 nan 8.150 nan 0.000 0.446 158 A N -1.034 121.871 122.820 0.143 0.000 1.930 158 A HA -0.113 4.207 4.320 0.001 0.000 0.217 158 A C 2.294 179.920 177.584 0.070 0.000 1.175 158 A CA 1.623 53.700 52.037 0.067 0.000 0.627 158 A CB -1.136 17.898 19.000 0.056 0.000 0.815 158 A HN 0.643 nan 8.150 nan 0.000 0.443 159 C N -1.280 118.086 119.300 0.109 0.000 2.476 159 C HA 0.001 4.461 4.460 0.001 0.000 0.278 159 C C 2.445 177.555 174.990 0.200 0.000 1.274 159 C CA 0.779 59.835 59.018 0.064 0.000 1.713 159 C CB -1.489 26.218 27.740 -0.054 0.000 2.039 159 C HN 0.629 nan 8.230 nan 0.000 0.484 160 L N 1.288 122.711 121.223 0.332 0.000 2.021 160 L HA -0.196 4.145 4.340 0.001 0.000 0.215 160 L C 2.488 179.517 176.870 0.265 0.000 1.074 160 L CA 1.897 56.950 54.840 0.355 0.000 0.760 160 L CB -1.097 41.093 42.059 0.218 0.000 0.889 160 L HN 0.445 nan 8.230 nan 0.000 0.433 161 C N -0.900 118.500 119.300 0.167 0.000 2.429 161 C HA -0.125 4.336 4.460 0.001 0.000 0.277 161 C C 2.978 178.148 174.990 0.301 0.000 1.262 161 C CA 0.631 59.773 59.018 0.208 0.000 1.733 161 C CB -1.589 26.094 27.740 -0.094 0.000 2.010 161 C HN 0.741 nan 8.230 nan 0.000 0.483 162 A N 0.539 123.460 122.820 0.169 0.000 1.877 162 A HA 0.027 4.348 4.320 0.001 0.000 0.216 162 A C 2.389 180.091 177.584 0.195 0.000 1.186 162 A CA 2.179 54.302 52.037 0.143 0.000 0.620 162 A CB -1.034 17.997 19.000 0.052 0.000 0.822 162 A HN 0.577 nan 8.150 nan 0.000 0.443 163 A N -1.107 121.865 122.820 0.254 0.000 1.883 163 A HA -0.075 4.246 4.320 0.001 0.000 0.217 163 A C 1.962 179.695 177.584 0.249 0.000 1.186 163 A CA 1.753 53.958 52.037 0.279 0.000 0.624 163 A CB -0.803 18.485 19.000 0.479 0.000 0.822 163 A HN 0.444 nan 8.150 nan 0.000 0.444 164 F N 0.134 120.115 119.950 0.051 0.000 2.095 164 F HA -0.146 4.382 4.527 0.001 0.000 0.298 164 F C 2.840 178.569 175.800 -0.118 0.000 1.104 164 F CA 0.975 58.893 58.000 -0.136 0.000 1.232 164 F CB -0.842 37.936 39.000 -0.370 0.000 0.987 164 F HN 0.260 nan 8.300 nan 0.000 0.475 165 A N -0.197 122.822 122.820 0.332 0.000 1.972 165 A HA -0.217 4.104 4.320 0.001 0.000 0.219 165 A C 1.896 179.568 177.584 0.147 0.000 1.169 165 A CA 1.809 54.077 52.037 0.385 0.000 0.635 165 A CB -1.154 18.103 19.000 0.428 0.000 0.810 165 A HN 0.555 nan 8.150 nan 0.000 0.446 166 N N -1.370 117.360 118.700 0.050 0.000 2.573 166 N HA -0.131 4.609 4.740 0.001 0.000 0.187 166 N C 0.726 176.096 175.510 -0.233 0.000 1.107 166 N CA 0.605 53.603 53.050 -0.086 0.000 0.918 166 N CB -0.185 38.227 38.487 -0.126 0.000 0.966 166 N HN 0.675 nan 8.380 nan 0.000 0.448 167 H N -0.176 118.763 119.070 -0.218 0.000 2.539 167 H HA 0.211 4.767 4.556 0.001 0.000 0.269 167 H C 0.222 175.486 175.328 -0.107 0.000 0.980 167 H CA 0.006 55.891 56.048 -0.272 0.000 1.152 167 H CB 0.398 29.779 29.762 -0.636 0.000 1.407 167 H HN -0.058 nan 8.280 nan 0.000 0.564 168 S N 0.240 115.964 115.700 0.039 0.000 3.491 168 S HA -0.241 4.229 4.470 0.001 0.000 0.371 168 S C 1.763 176.415 174.600 0.087 0.000 0.980 168 S CA 0.686 58.924 58.200 0.064 0.000 1.204 168 S CB -1.832 61.386 63.200 0.029 0.000 0.915 168 S HN 1.015 nan 8.310 nan 0.000 0.482 169 G N -0.018 108.853 108.800 0.118 0.000 2.270 169 G HA2 -0.385 3.576 3.960 0.001 0.000 0.268 169 G HA3 -0.385 3.576 3.960 0.001 0.000 0.268 169 G C 0.204 175.171 174.900 0.111 0.000 0.982 169 G CA 0.642 45.813 45.100 0.118 0.000 0.628 169 G HN 0.625 nan 8.290 nan 0.000 0.544 170 R N 1.535 122.101 120.500 0.110 0.000 2.442 170 R HA 0.288 4.628 4.340 0.001 0.000 0.291 170 R C -1.904 174.495 176.300 0.164 0.000 1.069 170 R CA -1.374 54.790 56.100 0.106 0.000 1.022 170 R CB 0.399 30.750 30.300 0.084 0.000 0.976 170 R HN 0.284 nan 8.270 nan 0.000 0.443 171 P HA 0.154 nan 4.420 nan 0.000 0.272 171 P C -0.870 176.516 177.300 0.143 0.000 1.223 171 P CA 0.088 63.249 63.100 0.103 0.000 0.784 171 P CB 0.453 32.162 31.700 0.014 0.000 0.923 172 F N -1.160 118.646 119.950 -0.241 0.000 2.741 172 F HA 0.617 5.144 4.527 0.001 0.000 0.313 172 F C -0.892 174.694 175.800 -0.356 0.000 1.153 172 F CA -1.503 56.289 58.000 -0.346 0.000 0.931 172 F CB 1.373 39.961 39.000 -0.688 0.000 1.335 172 F HN 0.238 nan 8.300 nan 0.000 0.460 173 R N 1.104 121.374 120.500 -0.383 0.000 2.346 173 R HA 0.482 4.823 4.340 0.001 0.000 0.311 173 R C -2.633 173.378 176.300 -0.481 0.000 0.983 173 R CA -1.648 54.102 56.100 -0.583 0.000 0.880 173 R CB 1.560 31.564 30.300 -0.492 0.000 1.100 173 R HN 0.460 nan 8.270 nan 0.000 0.453 174 P HA -0.015 nan 4.420 nan 0.000 0.245 174 P C 0.071 177.294 177.300 -0.129 0.000 1.212 174 P CA 0.287 63.210 63.100 -0.295 0.000 0.774 174 P CB 0.092 31.655 31.700 -0.229 0.000 0.999 175 N N 0.902 119.469 118.700 -0.221 0.000 2.036 175 N HA -0.153 4.587 4.740 0.001 0.000 0.195 175 N C 2.055 177.498 175.510 -0.112 0.000 1.037 175 N CA 2.075 55.026 53.050 -0.164 0.000 0.855 175 N CB -1.022 37.338 38.487 -0.212 0.000 1.033 175 N HN 0.226 nan 8.380 nan 0.000 0.423 176 G N 1.555 110.290 108.800 -0.110 0.000 2.408 176 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 176 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 176 G C 1.761 176.596 174.900 -0.109 0.000 1.150 176 G CA 0.168 45.202 45.100 -0.110 0.000 0.776 176 G HN 0.151 nan 8.290 nan 0.000 0.542 177 L N -0.133 121.059 121.223 -0.051 0.000 2.056 177 L HA 0.041 4.382 4.340 0.001 0.000 0.207 177 L C 2.854 179.698 176.870 -0.044 0.000 1.078 177 L CA 0.494 55.316 54.840 -0.030 0.000 0.749 177 L CB -0.283 41.871 42.059 0.157 0.000 0.901 177 L HN 0.187 nan 8.230 nan 0.000 0.433 178 L N -0.598 120.624 121.223 -0.002 0.000 2.131 178 L HA -0.222 4.119 4.340 0.001 0.000 0.210 178 L C 2.123 178.933 176.870 -0.100 0.000 1.092 178 L CA 0.961 55.765 54.840 -0.060 0.000 0.759 178 L CB -0.555 41.492 42.059 -0.019 0.000 0.903 178 L HN 0.314 nan 8.230 nan 0.000 0.435 179 D N 0.144 120.489 120.400 -0.092 0.000 2.149 179 D HA -0.136 4.504 4.640 0.001 0.000 0.201 179 D C 2.140 178.401 176.300 -0.065 0.000 0.972 179 D CA 1.067 55.020 54.000 -0.078 0.000 0.835 179 D CB 0.068 40.804 40.800 -0.106 0.000 0.966 179 D HN 0.306 nan 8.370 nan 0.000 0.476 180 K N 0.898 121.215 120.400 -0.139 0.000 2.057 180 K HA 0.004 4.324 4.320 0.001 0.000 0.206 180 K C 2.184 178.845 176.600 0.103 0.000 1.050 180 K CA 1.012 57.264 56.287 -0.058 0.000 0.935 180 K CB -0.017 32.255 32.500 -0.380 0.000 0.715 180 K HN -0.015 nan 8.250 nan 0.000 0.439 181 A N 1.042 123.817 122.820 -0.075 0.000 1.858 181 A HA -0.138 4.182 4.320 0.001 0.000 0.216 181 A C 2.393 180.045 177.584 0.114 0.000 1.190 181 A CA 1.598 53.657 52.037 0.037 0.000 0.617 181 A CB -0.855 18.014 19.000 -0.218 0.000 0.827 181 A HN 0.056 nan 8.150 nan 0.000 0.443 182 V N -0.092 119.814 119.914 -0.013 0.000 2.255 182 V HA -0.265 3.855 4.120 0.001 0.000 0.247 182 V C 2.787 178.998 176.094 0.195 0.000 1.051 182 V CA 2.408 64.779 62.300 0.119 0.000 1.018 182 V CB -1.111 30.749 31.823 0.061 0.000 0.641 182 V HN 0.557 nan 8.190 nan 0.000 0.445 183 S N 0.358 116.192 115.700 0.225 0.000 2.359 183 S HA -0.269 4.201 4.470 0.001 0.000 0.223 183 S C 1.932 176.773 174.600 0.401 0.000 1.039 183 S CA 1.901 60.320 58.200 0.365 0.000 1.042 183 S CB -0.613 62.894 63.200 0.511 0.000 0.915 183 S HN 0.608 nan 8.310 nan 0.000 0.439 184 N N 0.959 119.906 118.700 0.411 0.000 2.192 184 N HA -0.085 4.655 4.740 0.001 0.000 0.188 184 N C 1.572 177.175 175.510 0.155 0.000 1.013 184 N CA 0.880 54.088 53.050 0.264 0.000 0.863 184 N CB -0.634 37.999 38.487 0.244 0.000 0.990 184 N HN 0.224 nan 8.380 nan 0.000 0.430 185 V N 0.571 120.604 119.914 0.199 0.000 2.358 185 V HA -0.174 3.947 4.120 0.001 0.000 0.246 185 V C 2.034 178.157 176.094 0.048 0.000 1.047 185 V CA 1.088 63.495 62.300 0.179 0.000 1.035 185 V CB -0.295 31.694 31.823 0.277 0.000 0.658 185 V HN 0.147 nan 8.190 nan 0.000 0.452 186 I N 0.752 121.288 120.570 -0.057 0.000 2.353 186 I HA -0.128 4.043 4.170 0.001 0.000 0.248 186 I C 2.558 178.498 176.117 -0.296 0.000 1.119 186 I CA 1.541 62.654 61.300 -0.311 0.000 1.417 186 I CB -0.863 36.697 38.000 -0.732 0.000 1.078 186 I HN 0.187 nan 8.210 nan 0.000 0.421 187 A N -0.328 122.466 122.820 -0.042 0.000 1.978 187 A HA -0.218 4.103 4.320 0.001 0.000 0.220 187 A C 2.491 180.000 177.584 -0.124 0.000 1.170 187 A CA 2.304 54.456 52.037 0.191 0.000 0.636 187 A CB -0.874 18.351 19.000 0.375 0.000 0.810 187 A HN 0.432 nan 8.150 nan 0.000 0.448 188 S N -0.602 114.926 115.700 -0.286 0.000 2.368 188 S HA -0.101 4.370 4.470 0.001 0.000 0.224 188 S C 1.804 175.912 174.600 -0.820 0.000 1.029 188 S CA 1.262 59.038 58.200 -0.706 0.000 0.988 188 S CB -0.403 62.256 63.200 -0.901 0.000 0.838 188 S HN 0.446 nan 8.310 nan 0.000 0.462 189 L N 1.995 122.975 121.223 -0.405 0.000 2.083 189 L HA -0.071 4.270 4.340 0.001 0.000 0.209 189 L C 2.225 179.079 176.870 -0.026 0.000 1.083 189 L CA 2.143 56.922 54.840 -0.102 0.000 0.752 189 L CB -0.831 41.264 42.059 0.059 0.000 0.899 189 L HN 0.544 nan 8.230 nan 0.000 0.433 190 T N -7.526 107.008 114.554 -0.034 0.000 3.004 190 T HA 0.098 4.448 4.350 0.001 0.000 0.266 190 T C 1.232 175.986 174.700 0.091 0.000 0.986 190 T CA 0.465 62.617 62.100 0.086 0.000 0.902 190 T CB -0.650 68.305 68.868 0.145 0.000 1.118 190 T HN 0.271 nan 8.240 nan 0.000 0.522 191 C N 0.312 119.562 119.300 -0.083 0.000 3.757 191 C HA 0.756 5.217 4.460 0.001 0.000 0.358 191 C C 2.299 176.867 174.990 -0.704 0.000 1.484 191 C CA -0.057 58.796 59.018 -0.275 0.000 1.862 191 C CB 0.017 27.690 27.740 -0.112 0.000 2.654 191 C HN 0.839 nan 8.230 nan 0.000 0.699 192 G N 2.083 110.587 108.800 -0.494 0.000 3.206 192 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 192 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 192 G C 0.126 174.769 174.900 -0.429 0.000 1.350 192 G CA 0.473 45.321 45.100 -0.420 0.000 0.836 192 G HN 0.577 nan 8.290 nan 0.000 0.548 193 R N 1.561 121.791 120.500 -0.450 0.000 2.691 193 R HA 0.816 5.157 4.340 0.001 0.000 0.259 193 R C 0.688 176.660 176.300 -0.547 0.000 1.048 193 R CA -0.399 55.435 56.100 -0.443 0.000 1.086 193 R CB 0.355 30.416 30.300 -0.398 0.000 1.166 193 R HN 0.907 nan 8.270 nan 0.000 0.526 194 R N -0.267 119.954 120.500 -0.465 0.000 2.541 194 R HA 0.465 4.806 4.340 0.001 0.000 0.254 194 R C -0.943 174.964 176.300 -0.656 0.000 1.130 194 R CA -0.590 55.252 56.100 -0.429 0.000 1.152 194 R CB 0.598 30.777 30.300 -0.202 0.000 1.222 194 R HN 0.458 nan 8.270 nan 0.000 0.579 195 F N -0.345 119.387 119.950 -0.365 0.000 2.508 195 F HA 0.260 4.787 4.527 0.001 0.000 0.325 195 F C 0.204 175.826 175.800 -0.296 0.000 1.090 195 F CA -1.100 56.621 58.000 -0.464 0.000 0.945 195 F CB 1.914 40.311 39.000 -1.005 0.000 1.156 195 F HN 0.515 nan 8.300 nan 0.000 0.463 196 E N 1.522 121.775 120.200 0.088 0.000 2.414 196 E HA -0.026 4.324 4.350 0.001 0.000 0.263 196 E C 0.478 177.291 176.600 0.355 0.000 1.000 196 E CA 0.626 57.094 56.400 0.115 0.000 0.914 196 E CB 0.148 29.910 29.700 0.102 0.000 0.948 196 E HN 0.570 nan 8.360 nan 0.000 0.444 197 Y N 1.417 121.836 120.300 0.198 0.000 2.384 197 Y HA -0.228 4.322 4.550 0.001 0.000 0.289 197 Y C 1.184 177.236 175.900 0.253 0.000 1.152 197 Y CA 0.640 58.928 58.100 0.314 0.000 1.258 197 Y CB 0.189 38.776 38.460 0.213 0.000 0.979 197 Y HN 0.511 nan 8.280 nan 0.000 0.549 198 D N -1.648 118.947 120.400 0.324 0.000 2.369 198 D HA -0.043 4.597 4.640 0.001 0.000 0.211 198 D C 0.041 176.447 176.300 0.176 0.000 1.077 198 D CA -0.089 54.029 54.000 0.197 0.000 0.842 198 D CB -0.448 40.426 40.800 0.123 0.000 0.947 198 D HN -0.028 nan 8.370 nan 0.000 0.509 199 D N 1.567 122.112 120.400 0.242 0.000 2.426 199 D HA 0.000 4.641 4.640 0.001 0.000 0.261 199 D C -1.371 175.022 176.300 0.155 0.000 1.245 199 D CA -1.612 52.513 54.000 0.207 0.000 0.917 199 D CB 1.480 42.448 40.800 0.280 0.000 1.123 199 D HN -0.072 nan 8.370 nan 0.000 0.508 200 P HA -0.162 nan 4.420 nan 0.000 0.217 200 P C 1.392 178.698 177.300 0.010 0.000 1.151 200 P CA 1.017 64.141 63.100 0.039 0.000 0.849 200 P CB 0.231 31.950 31.700 0.031 0.000 0.787 201 R N -1.782 118.727 120.500 0.015 0.000 2.092 201 R HA -0.089 4.252 4.340 0.001 0.000 0.231 201 R C 2.333 178.546 176.300 -0.144 0.000 1.119 201 R CA 1.221 57.291 56.100 -0.050 0.000 0.970 201 R CB -1.203 29.081 30.300 -0.026 0.000 0.864 201 R HN 0.317 nan 8.270 nan 0.000 0.440 202 F N 1.325 121.047 119.950 -0.380 0.000 2.084 202 F HA -0.156 4.371 4.527 0.001 0.000 0.296 202 F C 2.144 177.807 175.800 -0.229 0.000 1.111 202 F CA 0.978 58.683 58.000 -0.492 0.000 1.224 202 F CB -0.068 38.733 39.000 -0.333 0.000 0.991 202 F HN -0.105 nan 8.300 nan 0.000 0.471 203 L N 0.233 121.357 121.223 -0.164 0.000 2.079 203 L HA -0.242 4.098 4.340 0.001 0.000 0.210 203 L C 2.642 179.405 176.870 -0.180 0.000 1.081 203 L CA 1.327 56.031 54.840 -0.225 0.000 0.752 203 L CB -0.776 41.226 42.059 -0.094 0.000 0.896 203 L HN 0.128 nan 8.230 nan 0.000 0.433 204 R N 0.309 120.740 120.500 -0.115 0.000 2.081 204 R HA -0.189 4.152 4.340 0.001 0.000 0.235 204 R C 2.386 178.631 176.300 -0.091 0.000 1.131 204 R CA 1.528 57.580 56.100 -0.080 0.000 0.960 204 R CB -0.336 29.932 30.300 -0.053 0.000 0.856 204 R HN 0.235 nan 8.270 nan 0.000 0.436 205 L N 1.230 122.375 121.223 -0.130 0.000 1.989 205 L HA -0.214 4.126 4.340 0.001 0.000 0.211 205 L C 2.224 178.994 176.870 -0.167 0.000 1.071 205 L CA 1.627 56.406 54.840 -0.101 0.000 0.749 205 L CB -0.329 41.640 42.059 -0.149 0.000 0.890 205 L HN 0.205 nan 8.230 nan 0.000 0.431 206 L N -0.672 120.380 121.223 -0.285 0.000 2.012 206 L HA -0.249 4.092 4.340 0.001 0.000 0.210 206 L C 2.399 179.128 176.870 -0.236 0.000 1.073 206 L CA 1.672 56.333 54.840 -0.299 0.000 0.748 206 L CB -1.126 40.679 42.059 -0.424 0.000 0.891 206 L HN 0.420 nan 8.230 nan 0.000 0.431 207 D N 0.774 121.065 120.400 -0.180 0.000 2.103 207 D HA -0.219 4.421 4.640 0.001 0.000 0.190 207 D C 2.283 178.551 176.300 -0.054 0.000 0.997 207 D CA 1.662 55.602 54.000 -0.101 0.000 0.833 207 D CB -0.192 40.584 40.800 -0.039 0.000 0.961 207 D HN 0.207 nan 8.370 nan 0.000 0.447 208 L N -0.034 121.181 121.223 -0.014 0.000 2.042 208 L HA -0.156 4.185 4.340 0.001 0.000 0.210 208 L C 2.664 179.349 176.870 -0.308 0.000 1.076 208 L CA 1.356 56.220 54.840 0.040 0.000 0.749 208 L CB -0.527 41.609 42.059 0.129 0.000 0.893 208 L HN 0.108 nan 8.230 nan 0.000 0.432 209 A N -1.015 121.402 122.820 -0.672 0.000 2.014 209 A HA -0.198 4.122 4.320 0.001 0.000 0.218 209 A C 2.153 179.445 177.584 -0.487 0.000 1.163 209 A CA 1.207 52.613 52.037 -1.051 0.000 0.652 209 A CB -0.249 18.152 19.000 -0.999 0.000 0.808 209 A HN 0.364 nan 8.150 nan 0.000 0.449 210 Q N -0.683 118.930 119.800 -0.312 0.000 1.994 210 Q HA -0.127 4.213 4.340 0.001 0.000 0.198 210 Q C 2.130 178.004 176.000 -0.211 0.000 0.976 210 Q CA 1.807 57.479 55.803 -0.219 0.000 0.828 210 Q CB -0.217 28.407 28.738 -0.190 0.000 0.894 210 Q HN 0.654 nan 8.270 nan 0.000 0.432 211 E N -0.451 119.607 120.200 -0.237 0.000 2.153 211 E HA -0.113 4.237 4.350 0.001 0.000 0.194 211 E C 1.776 178.258 176.600 -0.197 0.000 0.988 211 E CA 1.459 57.664 56.400 -0.324 0.000 0.811 211 E CB -0.602 28.665 29.700 -0.722 0.000 0.746 211 E HN 0.410 nan 8.360 nan 0.000 0.466 212 G N 0.308 109.053 108.800 -0.091 0.000 2.422 212 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 212 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 212 G C 1.429 176.301 174.900 -0.045 0.000 1.140 212 G CA 0.821 45.919 45.100 -0.004 0.000 0.775 212 G HN 0.350 nan 8.290 nan 0.000 0.545 213 L N 0.307 121.462 121.223 -0.113 0.000 2.240 213 L HA 0.260 4.600 4.340 0.001 0.000 0.211 213 L C 2.459 179.284 176.870 -0.076 0.000 1.106 213 L CA 1.601 56.384 54.840 -0.094 0.000 0.793 213 L CB -0.312 41.673 42.059 -0.124 0.000 0.927 213 L HN 0.152 nan 8.230 nan 0.000 0.446 214 K N -0.340 120.000 120.400 -0.099 0.000 2.103 214 K HA -0.138 4.182 4.320 0.001 0.000 0.204 214 K C 1.763 178.318 176.600 -0.076 0.000 1.052 214 K CA 1.443 57.670 56.287 -0.101 0.000 0.945 214 K CB 0.080 32.493 32.500 -0.144 0.000 0.722 214 K HN 0.483 nan 8.250 nan 0.000 0.443 215 E N 0.508 120.679 120.200 -0.048 0.000 2.150 215 E HA -0.185 4.166 4.350 0.001 0.000 0.193 215 E C 1.692 178.356 176.600 0.107 0.000 0.985 215 E CA 1.322 57.732 56.400 0.017 0.000 0.814 215 E CB 0.056 29.799 29.700 0.073 0.000 0.752 215 E HN 0.521 nan 8.360 nan 0.000 0.466 216 E N 1.066 121.318 120.200 0.086 0.000 2.299 216 E HA -0.077 4.273 4.350 0.001 0.000 0.193 216 E C 2.013 178.661 176.600 0.079 0.000 0.998 216 E CA 1.065 57.553 56.400 0.147 0.000 0.851 216 E CB -0.072 29.669 29.700 0.067 0.000 0.795 216 E HN 0.142 nan 8.360 nan 0.000 0.492 217 S N 1.348 117.035 115.700 -0.022 0.000 2.423 217 S HA -0.053 4.417 4.470 0.001 0.000 0.231 217 S C 2.189 176.711 174.600 -0.130 0.000 1.014 217 S CA 0.678 58.816 58.200 -0.104 0.000 0.965 217 S CB -0.760 62.390 63.200 -0.082 0.000 0.785 217 S HN 0.391 nan 8.310 nan 0.000 0.495 218 G N 1.492 110.213 108.800 -0.132 0.000 2.553 218 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 218 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 218 G C 1.105 175.840 174.900 -0.274 0.000 1.195 218 G CA 1.130 46.084 45.100 -0.243 0.000 0.779 218 G HN 0.575 nan 8.290 nan 0.000 0.577 219 F N 0.235 120.120 119.950 -0.108 0.000 2.293 219 F HA 0.138 4.666 4.527 0.001 0.000 0.300 219 F C 2.526 178.242 175.800 -0.139 0.000 1.086 219 F CA 0.528 58.465 58.000 -0.105 0.000 1.375 219 F CB -0.077 38.867 39.000 -0.093 0.000 1.045 219 F HN 0.033 nan 8.300 nan 0.000 0.516 220 L N 0.099 121.298 121.223 -0.041 0.000 2.341 220 L HA -0.050 4.291 4.340 0.001 0.000 0.214 220 L C 2.502 179.139 176.870 -0.389 0.000 1.115 220 L CA 0.598 55.292 54.840 -0.242 0.000 0.820 220 L CB -0.285 41.534 42.059 -0.400 0.000 0.944 220 L HN 0.152 nan 8.230 nan 0.000 0.452 221 R N -0.848 119.495 120.500 -0.261 0.000 2.156 221 R HA -0.036 4.304 4.340 0.001 0.000 0.207 221 R C 1.578 177.882 176.300 0.007 0.000 1.040 221 R CA 0.514 56.555 56.100 -0.100 0.000 1.013 221 R CB -0.256 30.042 30.300 -0.003 0.000 0.931 221 R HN 0.108 nan 8.270 nan 0.000 0.465 222 E N 1.197 121.378 120.200 -0.032 0.000 2.338 222 E HA -0.025 4.325 4.350 0.001 0.000 0.197 222 E C 1.237 177.848 176.600 0.020 0.000 1.007 222 E CA 0.323 56.719 56.400 -0.007 0.000 0.849 222 E CB 0.212 29.892 29.700 -0.033 0.000 0.774 222 E HN 0.048 nan 8.360 nan 0.000 0.506 223 V N 1.064 120.989 119.914 0.018 0.000 3.593 223 V HA -0.048 4.073 4.120 0.001 0.000 0.275 223 V C 0.531 176.665 176.094 0.068 0.000 1.237 223 V CA 0.696 63.015 62.300 0.032 0.000 1.194 223 V CB -0.473 31.357 31.823 0.010 0.000 0.949 223 V HN 0.279 nan 8.190 nan 0.000 0.467 224 L N 1.265 122.543 121.223 0.092 0.000 2.912 224 L HA 0.384 4.724 4.340 0.001 0.000 0.240 224 L C 0.912 177.828 176.870 0.077 0.000 1.262 224 L CA -0.057 54.854 54.840 0.119 0.000 1.058 224 L CB -0.643 41.531 42.059 0.192 0.000 1.383 224 L HN 0.536 nan 8.230 nan 0.000 0.512 225 N N -0.040 118.686 118.700 0.044 0.000 2.539 225 N HA 0.063 4.803 4.740 0.001 0.000 0.338 225 N C 0.436 175.948 175.510 0.003 0.000 1.221 225 N CA -0.150 52.909 53.050 0.015 0.000 1.735 225 N CB 0.302 38.781 38.487 -0.014 0.000 0.715 225 N HN 0.008 nan 8.380 nan 0.000 1.554 226 A N 2.112 124.923 122.820 -0.016 0.000 2.475 226 A HA 0.381 4.702 4.320 0.001 0.000 0.239 226 A C 0.629 178.215 177.584 0.003 0.000 1.087 226 A CA -0.155 51.870 52.037 -0.020 0.000 0.779 226 A CB 0.152 19.131 19.000 -0.035 0.000 1.036 226 A HN 0.317 nan 8.150 nan 0.000 0.506 227 V N 2.414 122.332 119.914 0.006 0.000 2.872 227 V HA 0.108 4.229 4.120 0.001 0.000 0.307 227 V C -0.789 175.311 176.094 0.011 0.000 1.072 227 V CA -0.614 61.695 62.300 0.014 0.000 1.148 227 V CB 0.235 32.070 31.823 0.020 0.000 0.954 227 V HN 0.985 nan 8.190 nan 0.000 0.490 228 P HA -0.178 nan 4.420 nan 0.000 0.223 228 P C -0.022 177.276 177.300 -0.003 0.000 1.073 228 P CA 2.892 65.993 63.100 0.002 0.000 1.008 228 P CB -0.267 31.435 31.700 0.002 0.000 0.760 229 V N -5.689 114.224 119.914 -0.001 0.000 2.540 229 V HA 0.356 4.477 4.120 0.001 0.000 0.268 229 V C 0.572 176.665 176.094 -0.002 0.000 1.799 229 V CA -0.015 62.283 62.300 -0.003 0.000 0.802 229 V CB -0.607 31.203 31.823 -0.022 0.000 1.348 229 V HN 0.158 nan 8.190 nan 0.000 0.417 230 D N 2.624 123.025 120.400 0.002 0.000 2.417 230 D HA 0.495 5.136 4.640 0.001 0.000 0.253 230 D C 1.750 178.051 176.300 0.002 0.000 1.171 230 D CA 3.186 57.188 54.000 0.004 0.000 0.984 230 D CB -0.427 40.376 40.800 0.005 0.000 0.893 230 D HN 2.796 nan 8.370 nan 0.000 0.516 231 R N -3.291 117.207 120.500 -0.002 0.000 3.872 231 R HA -0.196 4.145 4.340 0.001 0.000 0.377 231 R C 1.262 177.558 176.300 -0.007 0.000 0.628 231 R CA 3.058 59.156 56.100 -0.003 0.000 1.612 231 R CB -2.753 27.549 30.300 0.003 0.000 2.008 231 R HN 2.376 nan 8.270 nan 0.000 0.414 232 H N -1.450 117.616 119.070 -0.006 0.000 2.448 232 H HA 0.897 5.453 4.556 0.001 0.000 0.237 232 H C 0.940 176.263 175.328 -0.009 0.000 1.391 232 H CA 0.458 56.501 56.048 -0.008 0.000 1.477 232 H CB -0.504 29.257 29.762 -0.002 0.000 1.520 232 H HN 1.966 nan 8.280 nan 0.000 0.502 233 I N 1.380 121.939 120.570 -0.018 0.000 2.993 233 I HA 0.451 4.622 4.170 0.001 0.000 0.301 233 I C 0.284 176.397 176.117 -0.008 0.000 1.229 233 I CA -0.316 60.974 61.300 -0.016 0.000 1.435 233 I CB -0.659 37.319 38.000 -0.036 0.000 1.328 233 I HN 0.653 nan 8.210 nan 0.000 0.584 234 P HA 0.193 nan 4.420 nan 0.000 0.226 234 P C 1.418 178.719 177.300 0.002 0.000 1.146 234 P CA 3.347 66.449 63.100 0.004 0.000 0.773 234 P CB -0.418 31.288 31.700 0.010 0.000 0.772 235 A N -3.891 118.928 122.820 -0.002 0.000 4.320 235 A HA -0.259 4.061 4.320 0.001 0.000 0.253 235 A C 2.425 180.010 177.584 0.003 0.000 0.699 235 A CA 2.437 54.472 52.037 -0.004 0.000 1.188 235 A CB -2.373 16.623 19.000 -0.005 0.000 1.126 235 A HN 1.271 nan 8.150 nan 0.000 0.699 236 L N -1.509 119.718 121.223 0.007 0.000 2.187 236 L HA 0.398 4.739 4.340 0.001 0.000 0.213 236 L C 3.000 179.882 176.870 0.021 0.000 1.100 236 L CA 2.877 57.724 54.840 0.012 0.000 0.765 236 L CB -2.348 39.718 42.059 0.011 0.000 0.904 236 L HN 2.050 nan 8.230 nan 0.000 0.437 237 A N 0.128 122.962 122.820 0.024 0.000 2.139 237 A HA 0.085 4.405 4.320 0.001 0.000 0.221 237 A C 2.657 180.260 177.584 0.032 0.000 1.159 237 A CA 1.669 53.731 52.037 0.040 0.000 0.662 237 A CB -1.446 17.573 19.000 0.031 0.000 0.796 237 A HN 1.053 nan 8.150 nan 0.000 0.463 238 G N -0.109 108.699 108.800 0.014 0.000 2.777 238 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 238 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 238 G C 1.710 176.627 174.900 0.028 0.000 1.295 238 G CA 2.736 47.842 45.100 0.010 0.000 0.800 238 G HN 0.988 nan 8.290 nan 0.000 0.637 239 K N -0.292 120.126 120.400 0.031 0.000 2.588 239 K HA 0.018 4.339 4.320 0.001 0.000 0.197 239 K C 2.303 178.946 176.600 0.071 0.000 1.047 239 K CA 1.994 58.307 56.287 0.043 0.000 0.927 239 K CB -0.884 31.637 32.500 0.034 0.000 0.770 239 K HN 0.407 nan 8.250 nan 0.000 0.497 240 V N -0.537 119.430 119.914 0.088 0.000 2.825 240 V HA 0.105 4.225 4.120 0.001 0.000 0.246 240 V C 1.786 177.976 176.094 0.161 0.000 1.068 240 V CA 0.842 63.223 62.300 0.135 0.000 1.088 240 V CB 0.067 32.022 31.823 0.219 0.000 0.733 240 V HN 0.538 nan 8.190 nan 0.000 0.468 241 L N 0.027 121.324 121.223 0.123 0.000 2.872 241 L HA 0.267 4.607 4.340 0.001 0.000 0.245 241 L C 2.083 179.029 176.870 0.126 0.000 1.211 241 L CA -0.103 54.809 54.840 0.120 0.000 1.013 241 L CB -0.300 41.790 42.059 0.051 0.000 1.326 241 L HN 0.260 nan 8.230 nan 0.000 0.525 242 R N 0.300 120.878 120.500 0.130 0.000 2.190 242 R HA -0.255 4.085 4.340 0.001 0.000 0.255 242 R C 1.714 178.038 176.300 0.041 0.000 1.143 242 R CA 1.952 58.095 56.100 0.072 0.000 0.965 242 R CB -0.619 29.729 30.300 0.080 0.000 0.889 242 R HN 0.260 nan 8.270 nan 0.000 0.448 243 F N 0.392 120.351 119.950 0.016 0.000 2.335 243 F HA -0.052 4.476 4.527 0.001 0.000 0.296 243 F C 2.775 178.608 175.800 0.055 0.000 1.091 243 F CA 0.916 58.925 58.000 0.014 0.000 1.399 243 F CB -0.245 38.740 39.000 -0.024 0.000 1.067 243 F HN -0.049 nan 8.300 nan 0.000 0.520 244 Q N 1.210 121.151 119.800 0.235 0.000 2.079 244 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 244 Q C 1.895 178.017 176.000 0.203 0.000 0.974 244 Q CA 1.778 57.713 55.803 0.221 0.000 0.840 244 Q CB -0.214 28.614 28.738 0.150 0.000 0.898 244 Q HN 0.265 nan 8.270 nan 0.000 0.430 245 K N -0.437 120.030 120.400 0.112 0.000 2.097 245 K HA -0.009 4.312 4.320 0.001 0.000 0.205 245 K C 2.026 178.644 176.600 0.029 0.000 1.050 245 K CA 1.106 57.427 56.287 0.057 0.000 0.938 245 K CB -0.261 32.252 32.500 0.021 0.000 0.718 245 K HN 0.233 nan 8.250 nan 0.000 0.442 246 A N 1.392 124.217 122.820 0.009 0.000 1.969 246 A HA -0.138 4.182 4.320 0.001 0.000 0.218 246 A C 1.936 179.539 177.584 0.032 0.000 1.169 246 A CA 0.916 52.926 52.037 -0.046 0.000 0.635 246 A CB -0.557 18.333 19.000 -0.183 0.000 0.810 246 A HN 0.354 nan 8.150 nan 0.000 0.445 247 F N 0.519 120.431 119.950 -0.063 0.000 2.259 247 F HA 0.009 4.537 4.527 0.001 0.000 0.298 247 F C 1.729 177.489 175.800 -0.066 0.000 1.088 247 F CA 0.982 58.942 58.000 -0.067 0.000 1.358 247 F CB -0.262 38.717 39.000 -0.035 0.000 1.040 247 F HN 0.123 nan 8.300 nan 0.000 0.505 248 L N -0.432 120.687 121.223 -0.173 0.000 2.027 248 L HA -0.204 4.137 4.340 0.001 0.000 0.206 248 L C 2.330 179.077 176.870 -0.206 0.000 1.074 248 L CA 1.825 56.505 54.840 -0.265 0.000 0.745 248 L CB -1.384 40.619 42.059 -0.093 0.000 0.898 248 L HN 0.066 nan 8.230 nan 0.000 0.433 249 T N -1.048 113.438 114.554 -0.115 0.000 2.778 249 T HA -0.295 4.056 4.350 0.001 0.000 0.269 249 T C 1.849 176.489 174.700 -0.101 0.000 1.050 249 T CA 1.416 63.463 62.100 -0.089 0.000 1.137 249 T CB -0.168 68.663 68.868 -0.063 0.000 0.860 249 T HN 0.341 nan 8.240 nan 0.000 0.468 250 Q N -0.111 119.615 119.800 -0.123 0.000 2.212 250 Q HA 0.070 4.410 4.340 0.001 0.000 0.199 250 Q C 2.286 178.201 176.000 -0.142 0.000 0.950 250 Q CA 0.588 56.327 55.803 -0.107 0.000 0.863 250 Q CB -0.082 28.609 28.738 -0.079 0.000 0.944 250 Q HN 0.510 nan 8.270 nan 0.000 0.465 251 L N 0.578 121.648 121.223 -0.254 0.000 1.988 251 L HA -0.206 4.135 4.340 0.001 0.000 0.207 251 L C 2.238 179.027 176.870 -0.135 0.000 1.071 251 L CA 1.432 56.126 54.840 -0.243 0.000 0.744 251 L CB -0.746 41.073 42.059 -0.399 0.000 0.893 251 L HN 0.254 nan 8.230 nan 0.000 0.433 252 D N 0.133 120.448 120.400 -0.142 0.000 2.360 252 D HA -0.328 4.312 4.640 0.001 0.000 0.192 252 D C 1.947 178.219 176.300 -0.048 0.000 1.025 252 D CA 2.171 56.117 54.000 -0.090 0.000 0.903 252 D CB 0.082 40.832 40.800 -0.083 0.000 0.900 252 D HN 0.575 nan 8.370 nan 0.000 0.452 253 E N -1.159 119.015 120.200 -0.042 0.000 2.290 253 E HA -0.003 4.347 4.350 0.001 0.000 0.197 253 E C 2.323 178.931 176.600 0.014 0.000 0.948 253 E CA -0.150 56.243 56.400 -0.012 0.000 0.895 253 E CB -0.193 29.497 29.700 -0.017 0.000 0.865 253 E HN 0.330 nan 8.360 nan 0.000 0.486 254 L N 1.027 122.257 121.223 0.012 0.000 2.109 254 L HA -0.113 4.228 4.340 0.001 0.000 0.207 254 L C 2.466 179.379 176.870 0.072 0.000 1.086 254 L CA 0.841 55.715 54.840 0.057 0.000 0.760 254 L CB -0.314 41.792 42.059 0.077 0.000 0.910 254 L HN 0.272 nan 8.230 nan 0.000 0.437 255 L N -4.172 117.083 121.223 0.053 0.000 2.270 255 L HA 0.065 4.406 4.340 0.001 0.000 0.210 255 L C 2.236 179.157 176.870 0.085 0.000 1.104 255 L CA 1.225 56.119 54.840 0.090 0.000 0.804 255 L CB -1.756 40.324 42.059 0.034 0.000 0.937 255 L HN -0.105 nan 8.230 nan 0.000 0.450 256 T N 0.937 115.520 114.554 0.048 0.000 2.759 256 T HA -0.187 4.163 4.350 0.001 0.000 0.269 256 T C 1.661 176.411 174.700 0.083 0.000 1.042 256 T CA 1.972 64.102 62.100 0.050 0.000 1.140 256 T CB -0.239 68.646 68.868 0.029 0.000 0.864 256 T HN 0.791 nan 8.240 nan 0.000 0.455 257 E N -0.552 119.704 120.200 0.094 0.000 2.371 257 E HA -0.124 4.227 4.350 0.001 0.000 0.194 257 E C 1.879 178.582 176.600 0.171 0.000 1.012 257 E CA 0.621 57.085 56.400 0.106 0.000 0.860 257 E CB -0.288 29.458 29.700 0.078 0.000 0.811 257 E HN 0.447 nan 8.360 nan 0.000 0.502 258 H N 2.209 121.310 119.070 0.053 0.000 2.395 258 H HA 0.075 4.631 4.556 0.001 0.000 0.299 258 H C 2.044 177.445 175.328 0.121 0.000 1.070 258 H CA 1.538 57.626 56.048 0.067 0.000 1.356 258 H CB 0.018 29.802 29.762 0.037 0.000 1.401 258 H HN 0.093 nan 8.280 nan 0.000 0.524 259 R N -0.332 120.255 120.500 0.145 0.000 2.105 259 R HA -0.112 4.229 4.340 0.001 0.000 0.239 259 R C 2.286 178.726 176.300 0.234 0.000 1.135 259 R CA 1.579 57.766 56.100 0.144 0.000 0.967 259 R CB -0.048 30.314 30.300 0.104 0.000 0.861 259 R HN 0.349 nan 8.270 nan 0.000 0.442 260 M N -0.898 118.805 119.600 0.171 0.000 2.213 260 M HA -0.128 4.353 4.480 0.001 0.000 0.263 260 M C 1.928 178.309 176.300 0.134 0.000 1.062 260 M CA 1.575 56.955 55.300 0.134 0.000 1.105 260 M CB -0.112 32.549 32.600 0.101 0.000 1.385 260 M HN 0.107 nan 8.290 nan 0.000 0.417 261 T N -0.751 113.914 114.554 0.184 0.000 2.904 261 T HA -0.122 4.229 4.350 0.001 0.000 0.267 261 T C -0.016 174.798 174.700 0.190 0.000 1.059 261 T CA 0.454 62.666 62.100 0.187 0.000 1.137 261 T CB -0.179 68.855 68.868 0.277 0.000 0.879 261 T HN 0.487 nan 8.240 nan 0.000 0.467 262 W N 3.588 124.886 121.300 -0.003 0.000 2.303 262 W HA 0.294 4.954 4.660 0.001 0.000 0.318 262 W C -0.567 175.942 176.519 -0.016 0.000 1.362 262 W CA -1.401 55.917 57.345 -0.046 0.000 1.234 262 W CB 0.253 29.628 29.460 -0.140 0.000 1.248 262 W HN -0.125 nan 8.180 nan 0.000 0.546 263 D N 8.866 128.970 120.400 -0.494 0.000 2.411 263 D HA 0.135 4.776 4.640 0.001 0.000 0.225 263 D C -1.169 174.518 176.300 -1.021 0.000 1.156 263 D CA -2.028 51.614 54.000 -0.596 0.000 0.874 263 D CB 1.449 42.108 40.800 -0.235 0.000 1.034 263 D HN 0.255 nan 8.370 nan 0.000 0.502 264 P HA -0.074 nan 4.420 nan 0.000 0.222 264 P C 0.457 177.511 177.300 -0.409 0.000 1.147 264 P CA 0.483 62.834 63.100 -1.249 0.000 0.790 264 P CB 0.286 31.391 31.700 -0.993 0.000 0.780 265 A N -0.638 121.995 122.820 -0.312 0.000 2.833 265 A HA 0.240 4.561 4.320 0.001 0.000 0.293 265 A C 0.516 178.049 177.584 -0.086 0.000 1.338 265 A CA -0.054 51.896 52.037 -0.145 0.000 0.959 265 A CB -0.322 18.602 19.000 -0.127 0.000 1.094 265 A HN 0.107 nan 8.150 nan 0.000 0.569 266 Q N 0.402 120.167 119.800 -0.058 0.000 2.482 266 Q HA 0.319 4.660 4.340 0.001 0.000 0.286 266 Q C -2.948 173.096 176.000 0.074 0.000 1.007 266 Q CA -1.972 53.832 55.803 0.003 0.000 0.801 266 Q CB 2.695 31.428 28.738 -0.008 0.000 1.455 266 Q HN 0.194 nan 8.270 nan 0.000 0.398 267 P HA 0.112 nan 4.420 nan 0.000 0.265 267 P C -2.482 174.906 177.300 0.147 0.000 1.222 267 P CA -0.843 62.316 63.100 0.097 0.000 0.767 267 P CB -0.548 31.190 31.700 0.065 0.000 0.801 268 P HA -0.050 nan 4.420 nan 0.000 0.261 268 P C 1.018 178.432 177.300 0.190 0.000 1.158 268 P CA 0.326 63.560 63.100 0.223 0.000 0.758 268 P CB 0.372 32.178 31.700 0.177 0.000 0.763 269 R N 1.916 122.553 120.500 0.229 0.000 2.237 269 R HA 0.036 4.377 4.340 0.001 0.000 0.195 269 R C 0.097 176.604 176.300 0.344 0.000 0.956 269 R CA 0.975 57.228 56.100 0.254 0.000 1.029 269 R CB 0.293 30.747 30.300 0.257 0.000 0.972 269 R HN 0.697 nan 8.270 nan 0.000 0.493 270 D N -2.481 118.102 120.400 0.306 0.000 2.798 270 D HA 0.016 4.657 4.640 0.001 0.000 0.308 270 D C 0.713 177.158 176.300 0.241 0.000 1.187 270 D CA -0.718 53.486 54.000 0.339 0.000 1.033 270 D CB 0.304 41.255 40.800 0.252 0.000 1.445 270 D HN -0.136 nan 8.370 nan 0.000 0.550 271 L N -0.503 120.859 121.223 0.231 0.000 2.093 271 L HA -0.083 4.258 4.340 0.001 0.000 0.208 271 L C 1.749 178.808 176.870 0.315 0.000 1.085 271 L CA 1.813 56.799 54.840 0.243 0.000 0.755 271 L CB -0.473 41.709 42.059 0.206 0.000 0.904 271 L HN 0.585 nan 8.230 nan 0.000 0.435 272 T N -0.490 114.185 114.554 0.202 0.000 2.708 272 T HA -0.193 4.158 4.350 0.001 0.000 0.266 272 T C 1.644 176.314 174.700 -0.050 0.000 1.037 272 T CA 1.689 63.848 62.100 0.097 0.000 1.146 272 T CB -0.252 68.681 68.868 0.107 0.000 0.865 272 T HN 0.462 nan 8.240 nan 0.000 0.435 273 E N 1.365 121.487 120.200 -0.130 0.000 2.058 273 E HA -0.117 4.234 4.350 0.001 0.000 0.194 273 E C 2.622 179.110 176.600 -0.186 0.000 0.997 273 E CA 1.174 57.354 56.400 -0.367 0.000 0.801 273 E CB -0.294 29.352 29.700 -0.091 0.000 0.746 273 E HN 0.509 nan 8.360 nan 0.000 0.450 274 A N 0.847 123.726 122.820 0.098 0.000 2.019 274 A HA -0.167 4.153 4.320 0.001 0.000 0.219 274 A C 1.920 179.681 177.584 0.296 0.000 1.164 274 A CA 0.905 53.075 52.037 0.222 0.000 0.644 274 A CB -0.645 18.519 19.000 0.273 0.000 0.805 274 A HN 0.263 nan 8.150 nan 0.000 0.449 275 F N 0.379 120.424 119.950 0.159 0.000 2.084 275 F HA -0.094 4.433 4.527 0.001 0.000 0.296 275 F C 1.978 177.615 175.800 -0.272 0.000 1.111 275 F CA 1.715 59.625 58.000 -0.150 0.000 1.224 275 F CB -0.183 38.750 39.000 -0.112 0.000 0.991 275 F HN 0.135 nan 8.300 nan 0.000 0.471 276 L N -0.037 121.095 121.223 -0.152 0.000 2.081 276 L HA -0.268 4.073 4.340 0.001 0.000 0.212 276 L C 2.740 179.367 176.870 -0.406 0.000 1.080 276 L CA 1.198 55.766 54.840 -0.454 0.000 0.754 276 L CB -1.284 40.070 42.059 -1.174 0.000 0.893 276 L HN 0.246 nan 8.230 nan 0.000 0.433 277 A N -0.019 122.616 122.820 -0.308 0.000 1.877 277 A HA -0.254 4.067 4.320 0.001 0.000 0.216 277 A C 2.221 179.692 177.584 -0.188 0.000 1.186 277 A CA 1.895 53.911 52.037 -0.035 0.000 0.620 277 A CB -0.501 18.540 19.000 0.069 0.000 0.822 277 A HN 0.373 nan 8.150 nan 0.000 0.443 278 E N -0.807 119.146 120.200 -0.412 0.000 2.268 278 E HA -0.118 4.232 4.350 0.001 0.000 0.195 278 E C 1.826 177.968 176.600 -0.764 0.000 0.995 278 E CA 1.139 57.075 56.400 -0.773 0.000 0.836 278 E CB -0.276 28.562 29.700 -1.436 0.000 0.763 278 E HN 0.641 nan 8.360 nan 0.000 0.491 279 M N -0.307 118.998 119.600 -0.493 0.000 2.160 279 M HA -0.110 4.371 4.480 0.001 0.000 0.264 279 M C 1.709 177.930 176.300 -0.132 0.000 1.073 279 M CA 1.153 56.305 55.300 -0.247 0.000 1.142 279 M CB 0.048 32.587 32.600 -0.101 0.000 1.358 279 M HN 0.005 nan 8.290 nan 0.000 0.422 280 E N 0.797 120.951 120.200 -0.075 0.000 2.019 280 E HA -0.309 4.041 4.350 0.001 0.000 0.208 280 E C 1.863 178.422 176.600 -0.068 0.000 1.030 280 E CA 1.630 58.019 56.400 -0.018 0.000 0.856 280 E CB -0.671 29.060 29.700 0.052 0.000 0.781 280 E HN 0.484 nan 8.360 nan 0.000 0.471 281 K N -0.190 120.143 120.400 -0.112 0.000 2.184 281 K HA -0.227 4.093 4.320 0.001 0.000 0.210 281 K C 1.722 178.255 176.600 -0.113 0.000 1.048 281 K CA 1.646 57.858 56.287 -0.125 0.000 0.931 281 K CB -0.140 32.245 32.500 -0.192 0.000 0.718 281 K HN 0.149 nan 8.250 nan 0.000 0.465 282 A N 0.070 122.812 122.820 -0.131 0.000 2.390 282 A HA 0.044 4.365 4.320 0.001 0.000 0.232 282 A C 1.486 179.049 177.584 -0.034 0.000 1.233 282 A CA -0.148 51.843 52.037 -0.076 0.000 0.907 282 A CB 0.107 19.069 19.000 -0.064 0.000 0.967 282 A HN 0.110 nan 8.150 nan 0.000 0.512 283 K N 0.451 120.832 120.400 -0.032 0.000 2.362 283 K HA -0.167 4.154 4.320 0.001 0.000 0.202 283 K C 1.660 178.258 176.600 -0.005 0.000 1.045 283 K CA 1.310 57.591 56.287 -0.010 0.000 0.936 283 K CB -0.277 32.222 32.500 -0.003 0.000 0.747 283 K HN 0.488 nan 8.250 nan 0.000 0.467 284 G N 1.253 110.048 108.800 -0.009 0.000 2.607 284 G HA2 -0.204 3.757 3.960 0.001 0.000 0.215 284 G HA3 -0.204 3.757 3.960 0.001 0.000 0.215 284 G C 0.423 175.322 174.900 -0.002 0.000 1.275 284 G CA -0.218 44.879 45.100 -0.005 0.000 0.842 284 G HN 0.322 nan 8.290 nan 0.000 0.555 285 N N 2.146 120.844 118.700 -0.003 0.000 2.047 285 N HA -0.058 4.682 4.740 0.001 0.000 0.292 285 N C -0.894 174.619 175.510 0.005 0.000 1.356 285 N CA -0.446 52.605 53.050 0.002 0.000 0.836 285 N CB 1.305 39.794 38.487 0.004 0.000 1.113 285 N HN 0.094 nan 8.380 nan 0.000 0.495 286 P HA -0.087 nan 4.420 nan 0.000 0.219 286 P C 0.012 177.315 177.300 0.006 0.000 1.150 286 P CA 1.203 64.307 63.100 0.006 0.000 0.814 286 P CB 0.553 32.256 31.700 0.005 0.000 0.787 287 E N -0.131 120.072 120.200 0.005 0.000 4.034 287 E HA 0.373 4.724 4.350 0.001 0.000 0.297 287 E C -0.206 176.396 176.600 0.005 0.000 1.372 287 E CA -0.498 55.903 56.400 0.002 0.000 1.555 287 E CB 0.169 29.869 29.700 0.000 0.000 1.488 287 E HN 0.031 nan 8.360 nan 0.000 0.782 288 S N -0.821 114.878 115.700 -0.002 0.000 2.912 288 S HA -0.119 4.351 4.470 0.001 0.000 0.857 288 S C 0.054 174.631 174.600 -0.037 0.000 0.919 288 S CA 0.335 58.539 58.200 0.008 0.000 1.424 288 S CB -1.183 62.053 63.200 0.059 0.000 1.019 288 S HN 0.703 nan 8.310 nan 0.000 0.231 289 S N 3.420 119.029 115.700 -0.151 0.000 2.660 289 S HA 0.351 4.821 4.470 0.001 0.000 0.227 289 S C 0.093 174.472 174.600 -0.368 0.000 0.948 289 S CA -0.270 57.782 58.200 -0.246 0.000 0.948 289 S CB -0.552 62.459 63.200 -0.314 0.000 0.779 289 S HN 0.634 nan 8.310 nan 0.000 0.487 290 F N 3.727 123.560 119.950 -0.194 0.000 2.509 290 F HA 0.418 4.946 4.527 0.001 0.000 0.344 290 F C 0.572 176.327 175.800 -0.076 0.000 1.197 290 F CA -0.880 56.913 58.000 -0.345 0.000 1.294 290 F CB -0.015 38.617 39.000 -0.614 0.000 1.643 290 F HN 0.220 nan 8.300 nan 0.000 0.596 291 N N 0.339 119.145 118.700 0.177 0.000 2.563 291 N HA 0.187 4.928 4.740 0.001 0.000 0.288 291 N C 0.321 175.941 175.510 0.183 0.000 1.246 291 N CA -0.576 52.556 53.050 0.137 0.000 0.946 291 N CB 0.729 39.246 38.487 0.051 0.000 1.213 291 N HN 0.148 nan 8.380 nan 0.000 0.578 292 D N 0.489 120.938 120.400 0.081 0.000 2.117 292 D HA -0.128 4.512 4.640 0.001 0.000 0.198 292 D C 1.313 177.589 176.300 -0.041 0.000 0.982 292 D CA 1.178 55.187 54.000 0.015 0.000 0.828 292 D CB 0.073 40.876 40.800 0.006 0.000 0.967 292 D HN 0.505 nan 8.370 nan 0.000 0.464 293 E N 0.485 120.669 120.200 -0.027 0.000 2.086 293 E HA -0.262 4.088 4.350 0.001 0.000 0.205 293 E C 1.772 178.306 176.600 -0.109 0.000 1.027 293 E CA 1.033 57.399 56.400 -0.056 0.000 0.830 293 E CB -0.396 29.280 29.700 -0.039 0.000 0.751 293 E HN 0.457 nan 8.360 nan 0.000 0.456 294 N N -0.044 118.599 118.700 -0.094 0.000 2.376 294 N HA -0.090 4.650 4.740 0.001 0.000 0.177 294 N C 1.999 177.346 175.510 -0.272 0.000 1.024 294 N CA -0.035 52.928 53.050 -0.146 0.000 0.893 294 N CB 0.130 38.580 38.487 -0.063 0.000 0.980 294 N HN -0.025 nan 8.380 nan 0.000 0.439 295 L N 2.700 123.678 121.223 -0.409 0.000 1.971 295 L HA -0.228 4.112 4.340 0.001 0.000 0.215 295 L C 2.340 178.925 176.870 -0.475 0.000 1.072 295 L CA 1.857 56.171 54.840 -0.877 0.000 0.758 295 L CB -0.669 40.926 42.059 -0.773 0.000 0.889 295 L HN 0.174 nan 8.230 nan 0.000 0.433 296 R N -0.413 119.912 120.500 -0.291 0.000 2.120 296 R HA -0.106 4.234 4.340 0.001 0.000 0.234 296 R C 2.142 178.337 176.300 -0.175 0.000 1.123 296 R CA 2.012 57.986 56.100 -0.210 0.000 0.975 296 R CB -1.056 29.139 30.300 -0.175 0.000 0.866 296 R HN 0.510 nan 8.270 nan 0.000 0.446 297 I N 1.092 121.556 120.570 -0.175 0.000 2.315 297 I HA -0.180 3.991 4.170 0.001 0.000 0.248 297 I C 2.183 178.258 176.117 -0.070 0.000 1.117 297 I CA 0.803 62.026 61.300 -0.129 0.000 1.404 297 I CB -0.246 37.589 38.000 -0.274 0.000 1.071 297 I HN -0.022 nan 8.210 nan 0.000 0.419 298 V N 0.682 120.523 119.914 -0.122 0.000 2.343 298 V HA -0.210 3.910 4.120 0.001 0.000 0.247 298 V C 2.491 178.604 176.094 0.031 0.000 1.051 298 V CA 1.526 63.801 62.300 -0.041 0.000 1.036 298 V CB -0.363 31.406 31.823 -0.091 0.000 0.654 298 V HN 0.237 nan 8.190 nan 0.000 0.451 299 V N 0.332 120.241 119.914 -0.009 0.000 2.307 299 V HA -0.231 3.890 4.120 0.001 0.000 0.245 299 V C 2.744 178.986 176.094 0.247 0.000 1.045 299 V CA 1.887 64.257 62.300 0.116 0.000 1.024 299 V CB -1.243 30.628 31.823 0.079 0.000 0.651 299 V HN 0.544 nan 8.190 nan 0.000 0.449 300 A N 0.139 123.026 122.820 0.112 0.000 1.892 300 A HA -0.321 4.000 4.320 0.001 0.000 0.218 300 A C 1.976 179.767 177.584 0.345 0.000 1.188 300 A CA 2.412 54.557 52.037 0.181 0.000 0.631 300 A CB -0.767 18.249 19.000 0.027 0.000 0.822 300 A HN 0.545 nan 8.150 nan 0.000 0.447 301 D N -0.087 120.447 120.400 0.224 0.000 2.092 301 D HA -0.124 4.517 4.640 0.001 0.000 0.193 301 D C 1.950 178.363 176.300 0.187 0.000 0.994 301 D CA 1.210 55.325 54.000 0.191 0.000 0.828 301 D CB -0.421 40.505 40.800 0.210 0.000 0.963 301 D HN 0.448 nan 8.370 nan 0.000 0.450 302 L N -0.523 120.816 121.223 0.194 0.000 2.042 302 L HA -0.191 4.150 4.340 0.001 0.000 0.210 302 L C 2.370 179.313 176.870 0.122 0.000 1.076 302 L CA 0.859 55.782 54.840 0.137 0.000 0.749 302 L CB -0.382 41.728 42.059 0.084 0.000 0.893 302 L HN -0.003 nan 8.230 nan 0.000 0.432 303 F N 0.220 120.276 119.950 0.176 0.000 2.113 303 F HA -0.231 4.297 4.527 0.001 0.000 0.297 303 F C 2.866 178.744 175.800 0.130 0.000 1.103 303 F CA 1.786 59.911 58.000 0.208 0.000 1.248 303 F CB -0.405 38.821 39.000 0.376 0.000 0.999 303 F HN 0.113 nan 8.300 nan 0.000 0.475 304 S N 0.110 115.996 115.700 0.309 0.000 2.335 304 S HA -0.106 4.365 4.470 0.001 0.000 0.217 304 S C 2.317 176.924 174.600 0.012 0.000 1.032 304 S CA 0.665 58.916 58.200 0.086 0.000 0.985 304 S CB -1.311 61.890 63.200 0.001 0.000 0.896 304 S HN 0.275 nan 8.310 nan 0.000 0.445 305 A N 2.161 124.955 122.820 -0.043 0.000 1.927 305 A HA 0.057 4.377 4.320 0.001 0.000 0.220 305 A C 2.299 179.936 177.584 0.090 0.000 1.185 305 A CA 1.996 54.018 52.037 -0.025 0.000 0.639 305 A CB -1.730 17.301 19.000 0.050 0.000 0.820 305 A HN 0.634 nan 8.150 nan 0.000 0.451 306 G N -0.938 107.924 108.800 0.103 0.000 2.425 306 G HA2 -0.099 3.862 3.960 0.001 0.000 0.213 306 G HA3 -0.099 3.862 3.960 0.001 0.000 0.213 306 G C 1.680 176.648 174.900 0.112 0.000 1.201 306 G CA 1.065 46.232 45.100 0.112 0.000 0.799 306 G HN 0.538 nan 8.290 nan 0.000 0.534 307 M N 0.511 120.175 119.600 0.106 0.000 2.065 307 M HA -0.079 4.402 4.480 0.001 0.000 0.259 307 M C 2.482 178.832 176.300 0.084 0.000 1.071 307 M CA 2.216 57.581 55.300 0.108 0.000 1.109 307 M CB -0.495 32.189 32.600 0.141 0.000 1.313 307 M HN 0.086 nan 8.290 nan 0.000 0.408 308 V N 1.079 121.030 119.914 0.063 0.000 2.407 308 V HA -0.240 3.880 4.120 0.001 0.000 0.248 308 V C 2.410 178.550 176.094 0.076 0.000 1.055 308 V CA 2.771 65.098 62.300 0.045 0.000 1.049 308 V CB -0.900 30.933 31.823 0.017 0.000 0.662 308 V HN 0.892 nan 8.190 nan 0.000 0.455 309 T N -2.324 112.289 114.554 0.099 0.000 2.701 309 T HA -0.194 4.157 4.350 0.001 0.000 0.263 309 T C 1.858 176.637 174.700 0.132 0.000 1.040 309 T CA 2.054 64.224 62.100 0.118 0.000 1.147 309 T CB -1.199 67.750 68.868 0.136 0.000 0.865 309 T HN 0.531 nan 8.240 nan 0.000 0.426 310 T N 1.881 116.525 114.554 0.150 0.000 2.746 310 T HA -0.103 4.248 4.350 0.001 0.000 0.267 310 T C 2.322 177.106 174.700 0.141 0.000 1.039 310 T CA 1.428 63.631 62.100 0.172 0.000 1.142 310 T CB -0.681 68.309 68.868 0.203 0.000 0.866 310 T HN 0.485 nan 8.240 nan 0.000 0.444 311 S N 0.861 116.620 115.700 0.098 0.000 2.356 311 S HA -0.165 4.306 4.470 0.001 0.000 0.223 311 S C 2.224 176.868 174.600 0.074 0.000 1.032 311 S CA 1.923 60.155 58.200 0.054 0.000 1.005 311 S CB -0.870 62.342 63.200 0.021 0.000 0.867 311 S HN 0.581 nan 8.310 nan 0.000 0.449 312 T N 1.304 115.917 114.554 0.098 0.000 2.788 312 T HA -0.067 4.283 4.350 0.001 0.000 0.268 312 T C 1.929 176.777 174.700 0.246 0.000 1.044 312 T CA 1.796 63.972 62.100 0.127 0.000 1.139 312 T CB -0.952 68.013 68.868 0.160 0.000 0.867 312 T HN 0.506 nan 8.240 nan 0.000 0.454 313 T N 2.762 117.469 114.554 0.255 0.000 2.652 313 T HA -0.003 4.347 4.350 0.001 0.000 0.267 313 T C 2.004 176.861 174.700 0.261 0.000 1.039 313 T CA 1.000 63.271 62.100 0.285 0.000 1.153 313 T CB -0.605 68.362 68.868 0.165 0.000 0.863 313 T HN 0.252 nan 8.240 nan 0.000 0.428 314 L N 0.811 122.152 121.223 0.197 0.000 2.079 314 L HA -0.162 4.179 4.340 0.001 0.000 0.210 314 L C 3.022 179.998 176.870 0.178 0.000 1.081 314 L CA 1.225 56.184 54.840 0.198 0.000 0.752 314 L CB -0.714 41.434 42.059 0.147 0.000 0.896 314 L HN 0.268 nan 8.230 nan 0.000 0.433 315 A N -0.609 122.292 122.820 0.135 0.000 1.902 315 A HA -0.229 4.091 4.320 0.001 0.000 0.217 315 A C 1.931 179.581 177.584 0.111 0.000 1.181 315 A CA 1.454 53.556 52.037 0.108 0.000 0.623 315 A CB -0.965 18.030 19.000 -0.008 0.000 0.818 315 A HN 0.504 nan 8.150 nan 0.000 0.443 316 W N -0.086 121.278 121.300 0.107 0.000 2.338 316 W HA -0.044 4.616 4.660 0.001 0.000 0.304 316 W C 2.536 179.055 176.519 -0.001 0.000 1.212 316 W CA 1.139 58.517 57.345 0.055 0.000 1.264 316 W CB -0.542 28.970 29.460 0.088 0.000 1.142 316 W HN 0.406 nan 8.180 nan 0.000 0.512 317 G N 0.659 109.630 108.800 0.285 0.000 2.514 317 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 317 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 317 G C 1.403 176.437 174.900 0.223 0.000 1.198 317 G CA 1.461 46.722 45.100 0.268 0.000 0.780 317 G HN 0.200 nan 8.290 nan 0.000 0.565 318 L N -0.088 121.194 121.223 0.097 0.000 2.046 318 L HA -0.031 4.310 4.340 0.001 0.000 0.208 318 L C 2.738 179.472 176.870 -0.226 0.000 1.077 318 L CA 0.765 55.526 54.840 -0.132 0.000 0.747 318 L CB -0.643 41.303 42.059 -0.189 0.000 0.896 318 L HN 0.271 nan 8.230 nan 0.000 0.432 319 L N 0.290 121.283 121.223 -0.382 0.000 1.989 319 L HA -0.219 4.122 4.340 0.001 0.000 0.211 319 L C 2.350 178.968 176.870 -0.420 0.000 1.071 319 L CA 1.833 56.209 54.840 -0.774 0.000 0.749 319 L CB -0.501 40.958 42.059 -0.999 0.000 0.890 319 L HN 0.089 nan 8.230 nan 0.000 0.431 320 L N -1.312 119.748 121.223 -0.272 0.000 2.131 320 L HA -0.205 4.135 4.340 0.001 0.000 0.210 320 L C 2.476 179.195 176.870 -0.251 0.000 1.092 320 L CA 0.795 55.413 54.840 -0.370 0.000 0.759 320 L CB -0.542 41.117 42.059 -0.668 0.000 0.903 320 L HN 0.358 nan 8.230 nan 0.000 0.435 321 M N -0.134 119.400 119.600 -0.110 0.000 2.099 321 M HA -0.150 4.330 4.480 0.001 0.000 0.262 321 M C 2.407 178.710 176.300 0.005 0.000 1.067 321 M CA 1.689 57.004 55.300 0.025 0.000 1.124 321 M CB -0.872 31.762 32.600 0.057 0.000 1.353 321 M HN 0.336 nan 8.290 nan 0.000 0.410 322 I N -2.664 117.864 120.570 -0.069 0.000 2.676 322 I HA -0.164 4.007 4.170 0.001 0.000 0.259 322 I C 1.854 177.886 176.117 -0.141 0.000 1.194 322 I CA 1.075 62.341 61.300 -0.056 0.000 1.473 322 I CB -0.345 37.620 38.000 -0.057 0.000 1.096 322 I HN 0.091 nan 8.210 nan 0.000 0.443 323 L N 0.792 121.858 121.223 -0.262 0.000 2.341 323 L HA 0.148 4.488 4.340 0.001 0.000 0.214 323 L C 0.677 177.171 176.870 -0.626 0.000 1.115 323 L CA 1.184 55.759 54.840 -0.442 0.000 0.820 323 L CB -0.619 41.116 42.059 -0.540 0.000 0.944 323 L HN 0.333 nan 8.230 nan 0.000 0.452 324 H N -0.661 118.388 119.070 -0.036 0.000 2.448 324 H HA 0.298 4.855 4.556 0.001 0.000 0.237 324 H C -1.786 173.599 175.328 0.096 0.000 1.391 324 H CA -1.557 54.526 56.048 0.058 0.000 1.477 324 H CB 0.765 30.608 29.762 0.134 0.000 1.520 324 H HN 0.068 nan 8.280 nan 0.000 0.502 325 P HA -0.173 nan 4.420 nan 0.000 0.218 325 P C 1.182 178.573 177.300 0.152 0.000 1.149 325 P CA 0.964 64.142 63.100 0.129 0.000 0.817 325 P CB 0.509 32.260 31.700 0.085 0.000 0.785 326 D N 0.733 121.229 120.400 0.161 0.000 2.230 326 D HA -0.185 4.456 4.640 0.001 0.000 0.189 326 D C 1.912 178.322 176.300 0.185 0.000 1.006 326 D CA 1.475 55.567 54.000 0.154 0.000 0.853 326 D CB -1.355 39.538 40.800 0.155 0.000 0.959 326 D HN 0.058 nan 8.370 nan 0.000 0.449 327 V N 1.254 121.331 119.914 0.270 0.000 2.392 327 V HA -0.270 3.850 4.120 0.001 0.000 0.249 327 V C 2.890 179.192 176.094 0.347 0.000 1.059 327 V CA 2.040 64.561 62.300 0.369 0.000 1.051 327 V CB -0.851 31.250 31.823 0.464 0.000 0.658 327 V HN 0.289 nan 8.190 nan 0.000 0.455 328 Q N -0.035 119.928 119.800 0.273 0.000 2.050 328 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 328 Q C 2.527 178.641 176.000 0.190 0.000 0.980 328 Q CA 1.822 57.767 55.803 0.237 0.000 0.840 328 Q CB -0.045 28.814 28.738 0.202 0.000 0.898 328 Q HN 0.580 nan 8.270 nan 0.000 0.424 329 R N -0.157 120.430 120.500 0.145 0.000 2.096 329 R HA -0.149 4.192 4.340 0.001 0.000 0.240 329 R C 2.456 178.801 176.300 0.075 0.000 1.139 329 R CA 1.824 57.980 56.100 0.093 0.000 0.952 329 R CB -0.292 30.048 30.300 0.066 0.000 0.854 329 R HN 0.261 nan 8.270 nan 0.000 0.436 330 R N 0.220 120.759 120.500 0.066 0.000 2.081 330 R HA -0.097 4.244 4.340 0.001 0.000 0.235 330 R C 2.317 178.657 176.300 0.067 0.000 1.131 330 R CA 1.482 57.548 56.100 -0.056 0.000 0.960 330 R CB -0.500 29.611 30.300 -0.314 0.000 0.856 330 R HN 0.100 nan 8.270 nan 0.000 0.436 331 V N 1.386 121.469 119.914 0.281 0.000 2.407 331 V HA -0.251 3.869 4.120 0.001 0.000 0.248 331 V C 2.253 178.468 176.094 0.202 0.000 1.055 331 V CA 1.757 64.268 62.300 0.352 0.000 1.049 331 V CB -0.479 31.583 31.823 0.398 0.000 0.662 331 V HN 0.359 nan 8.190 nan 0.000 0.455 332 Q N -1.087 118.797 119.800 0.139 0.000 2.123 332 Q HA -0.178 4.163 4.340 0.001 0.000 0.199 332 Q C 2.465 178.499 176.000 0.056 0.000 0.966 332 Q CA 0.963 56.816 55.803 0.082 0.000 0.845 332 Q CB -0.216 28.560 28.738 0.065 0.000 0.907 332 Q HN 0.497 nan 8.270 nan 0.000 0.439 333 Q N 1.041 120.868 119.800 0.045 0.000 2.062 333 Q HA -0.269 4.072 4.340 0.001 0.000 0.209 333 Q C 1.816 177.835 176.000 0.032 0.000 0.996 333 Q CA 1.770 57.584 55.803 0.018 0.000 0.859 333 Q CB -0.141 28.588 28.738 -0.015 0.000 0.920 333 Q HN 0.459 nan 8.270 nan 0.000 0.415 334 E N -0.353 119.884 120.200 0.063 0.000 2.072 334 E HA -0.125 4.226 4.350 0.001 0.000 0.191 334 E C 2.201 178.859 176.600 0.096 0.000 0.985 334 E CA 0.630 57.085 56.400 0.092 0.000 0.801 334 E CB -0.082 29.714 29.700 0.161 0.000 0.750 334 E HN 0.339 nan 8.360 nan 0.000 0.452 335 I N 1.646 122.274 120.570 0.097 0.000 2.163 335 I HA -0.297 3.873 4.170 0.001 0.000 0.243 335 I C 1.774 177.914 176.117 0.039 0.000 1.085 335 I CA 1.383 62.727 61.300 0.075 0.000 1.347 335 I CB -0.351 37.680 38.000 0.051 0.000 1.044 335 I HN 0.167 nan 8.210 nan 0.000 0.408 336 D N 0.571 120.984 120.400 0.022 0.000 2.178 336 D HA -0.155 4.485 4.640 0.001 0.000 0.202 336 D C 1.697 178.001 176.300 0.007 0.000 0.974 336 D CA 1.227 55.227 54.000 0.001 0.000 0.841 336 D CB -0.349 40.447 40.800 -0.006 0.000 0.953 336 D HN 0.355 nan 8.370 nan 0.000 0.478 337 D N -0.506 119.906 120.400 0.021 0.000 2.123 337 D HA -0.072 4.568 4.640 0.001 0.000 0.200 337 D C 2.125 178.438 176.300 0.022 0.000 0.976 337 D CA 0.577 54.589 54.000 0.019 0.000 0.831 337 D CB 0.337 41.153 40.800 0.026 0.000 0.974 337 D HN 0.035 nan 8.370 nan 0.000 0.469 338 V N -0.050 119.890 119.914 0.044 0.000 2.521 338 V HA 0.033 4.154 4.120 0.001 0.000 0.239 338 V C 2.033 178.152 176.094 0.041 0.000 1.053 338 V CA 0.749 63.079 62.300 0.050 0.000 1.073 338 V CB -0.086 31.801 31.823 0.107 0.000 0.746 338 V HN 0.143 nan 8.190 nan 0.000 0.476 339 I N -0.318 120.282 120.570 0.050 0.000 2.731 339 I HA 0.446 4.617 4.170 0.001 0.000 0.260 339 I C 1.383 177.502 176.117 0.004 0.000 1.138 339 I CA 0.932 62.254 61.300 0.037 0.000 1.461 339 I CB -0.421 37.606 38.000 0.044 0.000 1.128 339 I HN 0.469 nan 8.210 nan 0.000 0.438 340 G N 1.187 109.982 108.800 -0.007 0.000 2.681 340 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 340 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 340 G C 0.021 174.887 174.900 -0.056 0.000 1.353 340 G CA 0.119 45.203 45.100 -0.027 0.000 0.872 340 G HN 0.217 nan 8.290 nan 0.000 0.557 341 Q N -1.354 118.407 119.800 -0.065 0.000 2.281 341 Q HA 0.466 4.807 4.340 0.001 0.000 0.215 341 Q C 2.267 178.207 176.000 -0.100 0.000 0.867 341 Q CA 1.577 57.318 55.803 -0.103 0.000 0.940 341 Q CB 0.790 29.475 28.738 -0.089 0.000 1.111 341 Q HN 1.459 nan 8.270 nan 0.000 0.513 342 V N -1.046 118.830 119.914 -0.063 0.000 2.627 342 V HA 0.252 4.372 4.120 0.001 0.000 0.239 342 V C 0.616 176.693 176.094 -0.029 0.000 1.077 342 V CA 0.182 62.455 62.300 -0.045 0.000 1.103 342 V CB -0.045 31.763 31.823 -0.026 0.000 0.802 342 V HN 0.256 nan 8.190 nan 0.000 0.482 343 R N 1.133 121.622 120.500 -0.019 0.000 2.637 343 R HA 0.399 4.740 4.340 0.001 0.000 0.269 343 R C -0.207 176.096 176.300 0.005 0.000 1.089 343 R CA -0.668 55.432 56.100 0.000 0.000 1.177 343 R CB 0.237 30.541 30.300 0.007 0.000 1.091 343 R HN 0.331 nan 8.270 nan 0.000 0.540 344 R N 1.425 121.942 120.500 0.027 0.000 2.401 344 R HA 0.151 4.492 4.340 0.001 0.000 0.299 344 R C -2.080 174.242 176.300 0.037 0.000 1.064 344 R CA -1.550 54.574 56.100 0.041 0.000 1.000 344 R CB 0.320 30.649 30.300 0.048 0.000 0.973 344 R HN 0.474 nan 8.270 nan 0.000 0.438 345 P HA -0.136 nan 4.420 nan 0.000 0.263 345 P C -0.771 176.578 177.300 0.081 0.000 1.175 345 P CA 0.629 63.755 63.100 0.042 0.000 0.761 345 P CB 0.480 32.143 31.700 -0.060 0.000 0.794 346 E N 2.505 122.799 120.200 0.158 0.000 2.392 346 E HA 0.323 4.673 4.350 0.001 0.000 0.269 346 E C 0.428 177.185 176.600 0.263 0.000 0.924 346 E CA -0.882 55.614 56.400 0.160 0.000 0.784 346 E CB 0.778 30.530 29.700 0.088 0.000 1.292 346 E HN 0.014 nan 8.360 nan 0.000 0.447 347 M N 1.802 121.510 119.600 0.180 0.000 2.108 347 M HA -0.113 4.367 4.480 0.001 0.000 0.257 347 M C 1.818 178.105 176.300 -0.021 0.000 1.071 347 M CA 2.623 57.975 55.300 0.087 0.000 1.093 347 M CB -1.047 31.565 32.600 0.019 0.000 1.345 347 M HN 0.879 nan 8.290 nan 0.000 0.403 348 G N -0.636 108.178 108.800 0.024 0.000 2.469 348 G HA2 -0.260 3.701 3.960 0.001 0.000 0.220 348 G HA3 -0.260 3.701 3.960 0.001 0.000 0.220 348 G C 1.173 176.104 174.900 0.050 0.000 1.136 348 G CA 1.309 46.420 45.100 0.019 0.000 0.759 348 G HN 0.490 nan 8.290 nan 0.000 0.562 349 D N 0.064 120.539 120.400 0.125 0.000 2.218 349 D HA -0.112 4.529 4.640 0.001 0.000 0.204 349 D C 2.345 178.676 176.300 0.053 0.000 0.976 349 D CA 1.247 55.365 54.000 0.197 0.000 0.853 349 D CB -0.257 40.730 40.800 0.312 0.000 0.939 349 D HN 0.481 nan 8.370 nan 0.000 0.481 350 Q N 1.496 121.099 119.800 -0.328 0.000 2.029 350 Q HA -0.207 4.133 4.340 0.001 0.000 0.209 350 Q C 2.042 177.821 176.000 -0.370 0.000 0.999 350 Q CA 2.538 57.894 55.803 -0.745 0.000 0.857 350 Q CB -0.570 27.537 28.738 -1.051 0.000 0.926 350 Q HN 0.174 nan 8.270 nan 0.000 0.415 351 A N 0.014 122.642 122.820 -0.321 0.000 1.997 351 A HA -0.232 4.088 4.320 0.001 0.000 0.221 351 A C 1.557 178.933 177.584 -0.347 0.000 1.172 351 A CA 1.868 53.700 52.037 -0.342 0.000 0.645 351 A CB -0.918 17.834 19.000 -0.413 0.000 0.813 351 A HN 0.690 nan 8.150 nan 0.000 0.454 352 H N -2.060 116.993 119.070 -0.029 0.000 2.529 352 H HA 0.316 4.873 4.556 0.000 0.000 0.277 352 H C -0.110 175.252 175.328 0.055 0.000 1.004 352 H CA 0.184 56.247 56.048 0.025 0.000 1.167 352 H CB 0.042 29.824 29.762 0.033 0.000 1.445 352 H HN 0.461 nan 8.280 nan 0.000 0.554 353 M N 1.293 120.958 119.600 0.108 0.000 2.634 353 M HA 0.208 4.689 4.480 0.001 0.000 0.211 353 M C -2.042 174.314 176.300 0.093 0.000 1.019 353 M CA -1.683 53.703 55.300 0.143 0.000 0.834 353 M CB 1.786 34.514 32.600 0.213 0.000 1.376 353 M HN -0.144 nan 8.290 nan 0.000 0.465 354 P HA -0.195 nan 4.420 nan 0.000 0.215 354 P C 1.145 178.540 177.300 0.158 0.000 1.157 354 P CA 1.455 64.647 63.100 0.153 0.000 0.868 354 P CB 0.023 31.857 31.700 0.223 0.000 0.788 355 Y N 0.009 120.363 120.300 0.091 0.000 2.263 355 Y HA -0.153 4.399 4.550 0.003 0.000 0.292 355 Y C 2.216 178.180 175.900 0.106 0.000 1.130 355 Y CA 1.812 59.969 58.100 0.095 0.000 1.179 355 Y CB -0.959 37.554 38.460 0.088 0.000 0.998 355 Y HN -0.099 nan 8.280 nan 0.000 0.532 356 T N -0.710 113.967 114.554 0.204 0.000 2.701 356 T HA -0.178 4.173 4.350 0.001 0.000 0.263 356 T C 1.766 176.485 174.700 0.032 0.000 1.040 356 T CA 2.142 64.358 62.100 0.193 0.000 1.147 356 T CB -0.720 68.353 68.868 0.343 0.000 0.865 356 T HN 0.381 nan 8.240 nan 0.000 0.426 357 T N 2.547 117.059 114.554 -0.071 0.000 2.592 357 T HA -0.233 4.118 4.350 0.001 0.000 0.267 357 T C 2.341 176.816 174.700 -0.376 0.000 1.060 357 T CA 1.578 63.459 62.100 -0.365 0.000 1.167 357 T CB -0.891 67.438 68.868 -0.899 0.000 0.863 357 T HN 0.461 nan 8.240 nan 0.000 0.431 358 A N 0.939 123.622 122.820 -0.228 0.000 1.884 358 A HA -0.144 4.177 4.320 0.001 0.000 0.219 358 A C 2.668 180.114 177.584 -0.229 0.000 1.197 358 A CA 2.118 54.114 52.037 -0.069 0.000 0.637 358 A CB -1.320 17.650 19.000 -0.050 0.000 0.827 358 A HN 0.356 nan 8.150 nan 0.000 0.450 359 V N 0.205 119.953 119.914 -0.276 0.000 2.255 359 V HA -0.302 3.819 4.120 0.001 0.000 0.247 359 V C 2.469 178.474 176.094 -0.148 0.000 1.051 359 V CA 2.214 64.398 62.300 -0.193 0.000 1.018 359 V CB -0.654 31.116 31.823 -0.088 0.000 0.641 359 V HN 0.596 nan 8.190 nan 0.000 0.445 360 I N -0.681 119.772 120.570 -0.196 0.000 2.208 360 I HA -0.315 3.856 4.170 0.001 0.000 0.245 360 I C 2.452 178.464 176.117 -0.174 0.000 1.097 360 I CA 1.901 63.047 61.300 -0.256 0.000 1.363 360 I CB -0.595 37.303 38.000 -0.170 0.000 1.051 360 I HN 0.404 nan 8.210 nan 0.000 0.413 361 H N -0.086 118.731 119.070 -0.421 0.000 2.389 361 H HA -0.181 4.376 4.556 0.001 0.000 0.299 361 H C 2.096 177.138 175.328 -0.476 0.000 1.081 361 H CA 1.492 57.136 56.048 -0.675 0.000 1.345 361 H CB -0.111 28.675 29.762 -1.626 0.000 1.393 361 H HN 0.247 nan 8.280 nan 0.000 0.520 362 E N 0.405 120.462 120.200 -0.238 0.000 2.208 362 E HA -0.081 4.269 4.350 0.001 0.000 0.193 362 E C 2.061 178.794 176.600 0.221 0.000 0.988 362 E CA 0.548 56.998 56.400 0.084 0.000 0.828 362 E CB -0.217 29.448 29.700 -0.059 0.000 0.763 362 E HN 0.220 nan 8.360 nan 0.000 0.478 363 V N 0.894 120.927 119.914 0.199 0.000 2.343 363 V HA -0.283 3.837 4.120 0.001 0.000 0.247 363 V C 2.355 178.509 176.094 0.099 0.000 1.051 363 V CA 2.196 64.627 62.300 0.217 0.000 1.036 363 V CB -0.532 31.329 31.823 0.062 0.000 0.654 363 V HN 0.365 nan 8.190 nan 0.000 0.451 364 Q N -0.671 119.159 119.800 0.051 0.000 2.119 364 Q HA -0.180 4.161 4.340 0.001 0.000 0.201 364 Q C 2.500 178.457 176.000 -0.071 0.000 0.972 364 Q CA 1.306 57.096 55.803 -0.022 0.000 0.847 364 Q CB -0.148 28.602 28.738 0.018 0.000 0.903 364 Q HN 0.538 nan 8.270 nan 0.000 0.433 365 R N -0.034 120.498 120.500 0.054 0.000 2.062 365 R HA -0.089 4.252 4.340 0.001 0.000 0.226 365 R C 2.061 178.259 176.300 -0.171 0.000 1.125 365 R CA 0.812 56.861 56.100 -0.085 0.000 0.966 365 R CB -0.208 30.047 30.300 -0.074 0.000 0.861 365 R HN 0.199 nan 8.270 nan 0.000 0.433 366 F N 0.930 120.770 119.950 -0.183 0.000 2.146 366 F HA 0.031 4.559 4.527 0.002 0.000 0.298 366 F C 1.997 177.544 175.800 -0.422 0.000 1.096 366 F CA 1.789 59.669 58.000 -0.199 0.000 1.275 366 F CB -0.614 38.420 39.000 0.058 0.000 1.008 366 F HN 0.112 nan 8.300 nan 0.000 0.480 367 G N -0.495 108.089 108.800 -0.359 0.000 2.476 367 G HA2 -0.354 3.607 3.960 0.001 0.000 0.218 367 G HA3 -0.354 3.607 3.960 0.001 0.000 0.218 367 G C 0.218 174.585 174.900 -0.888 0.000 1.164 367 G CA 1.049 45.479 45.100 -1.117 0.000 0.768 367 G HN 0.483 nan 8.290 nan 0.000 0.560 368 D N -0.359 119.741 120.400 -0.499 0.000 2.904 368 D HA -0.193 4.447 4.640 0.001 0.000 0.231 368 D C 1.393 177.549 176.300 -0.240 0.000 1.185 368 D CA 0.812 54.597 54.000 -0.358 0.000 0.783 368 D CB -1.254 39.314 40.800 -0.386 0.000 0.961 368 D HN 0.592 nan 8.370 nan 0.000 0.409 369 I N -2.146 118.324 120.570 -0.166 0.000 2.584 369 I HA -0.019 4.151 4.170 0.001 0.000 0.255 369 I C 0.744 176.881 176.117 0.034 0.000 1.145 369 I CA 0.157 61.459 61.300 0.002 0.000 1.462 369 I CB 0.090 38.143 38.000 0.088 0.000 1.102 369 I HN 0.055 nan 8.210 nan 0.000 0.433 370 V N 1.159 121.059 119.914 -0.024 0.000 2.204 370 V HA 0.355 4.475 4.120 0.001 0.000 0.264 370 V C -1.874 174.183 176.094 -0.061 0.000 1.106 370 V CA -1.220 61.077 62.300 -0.006 0.000 0.947 370 V CB -0.114 31.727 31.823 0.031 0.000 1.164 370 V HN 0.065 nan 8.190 nan 0.000 0.461 371 P HA -0.009 nan 4.420 nan 0.000 0.218 371 P C 1.182 178.432 177.300 -0.084 0.000 1.149 371 P CA 1.110 64.171 63.100 -0.065 0.000 0.817 371 P CB 0.320 32.027 31.700 0.011 0.000 0.785 372 L N -2.406 118.722 121.223 -0.160 0.000 2.667 372 L HA 0.337 4.677 4.340 0.001 0.000 0.232 372 L C 1.378 178.190 176.870 -0.097 0.000 1.138 372 L CA -0.037 54.715 54.840 -0.146 0.000 0.921 372 L CB -0.848 41.068 42.059 -0.239 0.000 1.180 372 L HN 0.074 nan 8.230 nan 0.000 0.487 373 G N 1.503 110.267 108.800 -0.060 0.000 2.574 373 G HA2 -0.362 3.598 3.960 0.001 0.000 0.282 373 G HA3 -0.362 3.598 3.960 0.001 0.000 0.282 373 G C -0.411 174.612 174.900 0.205 0.000 1.257 373 G CA 0.401 45.541 45.100 0.068 0.000 0.956 373 G HN 0.125 nan 8.290 nan 0.000 0.560 374 M N -0.214 119.544 119.600 0.263 0.000 2.644 374 M HA 0.712 5.193 4.480 0.001 0.000 0.316 374 M C 0.490 176.951 176.300 0.267 0.000 1.200 374 M CA -0.212 55.272 55.300 0.306 0.000 0.944 374 M CB 1.898 34.533 32.600 0.059 0.000 1.691 374 M HN 1.104 nan 8.290 nan 0.000 0.471 375 T N 2.986 117.671 114.554 0.218 0.000 2.856 375 T HA 0.411 4.762 4.350 0.001 0.000 0.292 375 T C -0.546 174.208 174.700 0.091 0.000 0.980 375 T CA -0.121 62.104 62.100 0.207 0.000 1.091 375 T CB 0.063 69.048 68.868 0.194 0.000 0.936 375 T HN 0.638 nan 8.240 nan 0.000 0.503 376 H N 3.065 122.118 119.070 -0.029 0.000 2.693 376 H HA 0.624 5.180 4.556 0.001 0.000 0.348 376 H C -0.441 174.843 175.328 -0.073 0.000 1.222 376 H CA -1.051 54.953 56.048 -0.074 0.000 1.270 376 H CB 2.006 31.717 29.762 -0.084 0.000 1.798 376 H HN 0.432 nan 8.280 nan 0.000 0.592 377 M N 1.390 121.005 119.600 0.025 0.000 2.365 377 M HA 0.133 4.614 4.480 0.001 0.000 0.287 377 M C -0.788 175.481 176.300 -0.052 0.000 1.154 377 M CA -0.656 54.631 55.300 -0.022 0.000 0.941 377 M CB 2.256 34.831 32.600 -0.041 0.000 1.704 377 M HN 0.727 nan 8.290 nan 0.000 0.479 378 T N 0.292 114.815 114.554 -0.053 0.000 2.918 378 T HA 0.269 4.619 4.350 0.001 0.000 0.302 378 T C 0.524 175.178 174.700 -0.077 0.000 1.045 378 T CA -0.425 61.631 62.100 -0.074 0.000 1.114 378 T CB 1.158 69.984 68.868 -0.070 0.000 0.965 378 T HN 0.643 nan 8.240 nan 0.000 0.540 379 S N 1.919 117.557 115.700 -0.103 0.000 2.492 379 S HA 0.206 4.677 4.470 0.001 0.000 0.218 379 S C 0.632 175.205 174.600 -0.044 0.000 1.016 379 S CA -0.324 57.825 58.200 -0.085 0.000 0.916 379 S CB -0.166 62.937 63.200 -0.161 0.000 0.791 379 S HN 0.889 nan 8.310 nan 0.000 0.513 380 R N 0.690 121.159 120.500 -0.050 0.000 2.712 380 R HA 0.309 4.649 4.340 0.001 0.000 0.272 380 R C -2.117 174.155 176.300 -0.046 0.000 1.032 380 R CA -1.052 55.029 56.100 -0.032 0.000 0.874 380 R CB 0.204 30.496 30.300 -0.013 0.000 1.256 380 R HN -0.062 nan 8.270 nan 0.000 0.468 381 D N 1.309 121.685 120.400 -0.039 0.000 2.364 381 D HA 0.230 4.871 4.640 0.001 0.000 0.236 381 D C 0.252 176.500 176.300 -0.087 0.000 1.221 381 D CA 0.233 54.200 54.000 -0.055 0.000 0.891 381 D CB 0.634 41.413 40.800 -0.036 0.000 1.190 381 D HN 0.218 nan 8.370 nan 0.000 0.449 382 I N -0.193 120.296 120.570 -0.134 0.000 2.828 382 I HA 0.083 4.254 4.170 0.001 0.000 0.295 382 I C -0.904 175.058 176.117 -0.259 0.000 1.459 382 I CA -0.894 60.235 61.300 -0.286 0.000 1.015 382 I CB 1.964 39.753 38.000 -0.350 0.000 1.345 382 I HN 0.548 nan 8.210 nan 0.000 0.449 383 E N 4.423 124.415 120.200 -0.346 0.000 2.183 383 E HA 0.729 5.079 4.350 0.001 0.000 0.271 383 E C -1.081 175.413 176.600 -0.177 0.000 0.919 383 E CA -0.782 55.514 56.400 -0.174 0.000 0.781 383 E CB 2.626 32.279 29.700 -0.079 0.000 1.140 383 E HN 0.385 nan 8.360 nan 0.000 0.402 384 V N 1.731 121.611 119.914 -0.058 0.000 2.686 384 V HA 0.338 4.459 4.120 0.001 0.000 0.306 384 V C -0.364 175.737 176.094 0.011 0.000 1.065 384 V CA -0.519 61.779 62.300 -0.003 0.000 0.894 384 V CB 1.311 33.137 31.823 0.005 0.000 1.004 384 V HN 0.927 nan 8.190 nan 0.000 0.424 385 Q N 3.970 123.743 119.800 -0.045 0.000 2.435 385 Q HA -0.263 4.077 4.340 0.001 0.000 0.286 385 Q C 1.260 176.950 176.000 -0.518 0.000 1.229 385 Q CA 1.226 56.934 55.803 -0.159 0.000 0.884 385 Q CB -1.686 27.045 28.738 -0.012 0.000 1.245 385 Q HN 2.212 nan 8.270 nan 0.000 0.488 386 G N -1.224 107.339 108.800 -0.395 0.000 2.234 386 G HA2 -0.314 3.647 3.960 0.001 0.000 0.235 386 G HA3 -0.314 3.647 3.960 0.001 0.000 0.235 386 G C -0.027 174.615 174.900 -0.429 0.000 0.997 386 G CA 0.095 44.911 45.100 -0.473 0.000 0.623 386 G HN 0.335 nan 8.290 nan 0.000 0.514 387 F N 3.549 123.483 119.950 -0.027 0.000 2.410 387 F HA 0.551 5.078 4.527 0.001 0.000 0.348 387 F C 1.406 177.171 175.800 -0.058 0.000 1.106 387 F CA -1.101 56.877 58.000 -0.037 0.000 1.163 387 F CB 0.794 39.771 39.000 -0.038 0.000 1.129 387 F HN 0.046 nan 8.300 nan 0.000 0.516 388 R N 4.076 124.662 120.500 0.143 0.000 2.442 388 R HA 0.381 4.721 4.340 0.001 0.000 0.291 388 R C -0.924 175.391 176.300 0.024 0.000 1.069 388 R CA 0.115 56.242 56.100 0.045 0.000 1.022 388 R CB 0.264 30.581 30.300 0.029 0.000 0.976 388 R HN 0.727 nan 8.270 nan 0.000 0.443 389 I N 4.136 124.691 120.570 -0.024 0.000 2.495 389 I HA 0.231 4.401 4.170 0.001 0.000 0.277 389 I C -2.306 173.780 176.117 -0.051 0.000 1.045 389 I CA -2.544 58.730 61.300 -0.044 0.000 1.135 389 I CB 1.933 39.893 38.000 -0.066 0.000 1.241 389 I HN 0.216 nan 8.210 nan 0.000 0.469 390 P HA -0.087 nan 4.420 nan 0.000 0.266 390 P C -0.053 177.227 177.300 -0.032 0.000 1.186 390 P CA -0.009 63.074 63.100 -0.028 0.000 0.767 390 P CB 0.546 32.234 31.700 -0.020 0.000 0.820 391 K N 2.443 122.827 120.400 -0.027 0.000 2.550 391 K HA 0.096 4.417 4.320 0.001 0.000 0.280 391 K C 0.477 177.065 176.600 -0.020 0.000 0.987 391 K CA 1.117 57.389 56.287 -0.025 0.000 1.048 391 K CB -0.613 31.878 32.500 -0.014 0.000 0.879 391 K HN 0.829 nan 8.250 nan 0.000 0.491 392 G N 2.832 111.618 108.800 -0.023 0.000 2.487 392 G HA2 -0.197 3.764 3.960 0.001 0.000 0.243 392 G HA3 -0.197 3.764 3.960 0.001 0.000 0.243 392 G C -0.576 174.313 174.900 -0.017 0.000 0.918 392 G CA 0.191 45.281 45.100 -0.017 0.000 1.260 392 G HN 0.600 nan 8.290 nan 0.000 0.408 393 T N 1.314 115.853 114.554 -0.024 0.000 3.032 393 T HA 0.497 4.848 4.350 0.001 0.000 0.312 393 T C 0.221 174.907 174.700 -0.023 0.000 1.078 393 T CA -0.298 61.787 62.100 -0.025 0.000 1.028 393 T CB 1.585 70.430 68.868 -0.039 0.000 1.091 393 T HN 0.526 nan 8.240 nan 0.000 0.457 394 T N 4.649 119.194 114.554 -0.014 0.000 2.769 394 T HA 0.242 4.592 4.350 0.001 0.000 0.293 394 T C -0.090 174.595 174.700 -0.025 0.000 0.931 394 T CA -0.395 61.703 62.100 -0.003 0.000 1.139 394 T CB -0.122 68.755 68.868 0.015 0.000 0.881 394 T HN 0.155 nan 8.240 nan 0.000 0.532 395 L N 5.086 126.303 121.223 -0.011 0.000 2.264 395 L HA 0.516 4.856 4.340 0.001 0.000 0.289 395 L C 0.197 177.056 176.870 -0.019 0.000 1.044 395 L CA -0.389 54.422 54.840 -0.048 0.000 0.807 395 L CB 0.947 42.972 42.059 -0.056 0.000 1.192 395 L HN 0.629 nan 8.230 nan 0.000 0.425 396 I N 2.848 123.367 120.570 -0.084 0.000 2.354 396 I HA 0.237 4.407 4.170 0.001 0.000 0.292 396 I C 0.287 176.328 176.117 -0.126 0.000 0.989 396 I CA -0.405 60.865 61.300 -0.051 0.000 1.188 396 I CB 1.962 39.930 38.000 -0.053 0.000 1.342 396 I HN 0.600 nan 8.210 nan 0.000 0.457 397 T N 1.551 116.061 114.554 -0.072 0.000 2.929 397 T HA 0.229 4.580 4.350 0.001 0.000 0.331 397 T C 0.040 174.698 174.700 -0.070 0.000 1.120 397 T CA -0.865 61.170 62.100 -0.108 0.000 0.973 397 T CB 0.244 69.036 68.868 -0.126 0.000 1.036 397 T HN 0.403 nan 8.240 nan 0.000 0.502 398 N N 4.205 122.855 118.700 -0.083 0.000 2.605 398 N HA 0.110 4.851 4.740 0.001 0.000 0.282 398 N C 1.089 176.574 175.510 -0.041 0.000 1.206 398 N CA -0.532 52.501 53.050 -0.028 0.000 1.074 398 N CB -0.427 38.059 38.487 -0.002 0.000 1.434 398 N HN 0.711 nan 8.380 nan 0.000 0.506 399 L N 0.707 121.898 121.223 -0.054 0.000 2.141 399 L HA -0.145 4.196 4.340 0.001 0.000 0.209 399 L C 2.265 179.080 176.870 -0.092 0.000 1.094 399 L CA 0.759 55.557 54.840 -0.070 0.000 0.763 399 L CB -0.494 41.515 42.059 -0.083 0.000 0.908 399 L HN 0.449 nan 8.230 nan 0.000 0.437 400 S N 0.246 115.881 115.700 -0.108 0.000 2.359 400 S HA -0.222 4.249 4.470 0.001 0.000 0.224 400 S C 2.297 176.815 174.600 -0.137 0.000 1.035 400 S CA 1.866 59.970 58.200 -0.160 0.000 1.018 400 S CB -0.276 62.812 63.200 -0.187 0.000 0.876 400 S HN 0.598 nan 8.310 nan 0.000 0.448 401 S N 0.454 116.111 115.700 -0.073 0.000 2.440 401 S HA -0.051 4.419 4.470 0.001 0.000 0.238 401 S C 1.714 176.314 174.600 -0.001 0.000 1.010 401 S CA 1.287 59.469 58.200 -0.030 0.000 0.972 401 S CB -0.671 62.539 63.200 0.017 0.000 0.774 401 S HN 0.404 nan 8.310 nan 0.000 0.501 402 V N 0.856 120.771 119.914 0.002 0.000 2.379 402 V HA 0.072 4.192 4.120 0.001 0.000 0.243 402 V C 2.436 178.631 176.094 0.168 0.000 1.035 402 V CA 0.845 63.184 62.300 0.065 0.000 1.035 402 V CB -0.748 31.099 31.823 0.040 0.000 0.673 402 V HN 0.356 nan 8.190 nan 0.000 0.457 403 L N 0.117 121.357 121.223 0.028 0.000 2.141 403 L HA -0.029 4.312 4.340 0.001 0.000 0.209 403 L C 1.883 178.555 176.870 -0.330 0.000 1.094 403 L CA 1.746 56.529 54.840 -0.094 0.000 0.763 403 L CB -0.705 41.203 42.059 -0.252 0.000 0.908 403 L HN 0.306 nan 8.230 nan 0.000 0.437 404 K N -0.552 119.698 120.400 -0.249 0.000 2.455 404 K HA 0.115 4.435 4.320 0.001 0.000 0.206 404 K C -0.026 176.495 176.600 -0.132 0.000 1.027 404 K CA -0.273 55.767 56.287 -0.412 0.000 1.113 404 K CB 0.256 32.372 32.500 -0.640 0.000 0.850 404 K HN 0.148 nan 8.250 nan 0.000 0.503 405 D N 2.460 122.944 120.400 0.139 0.000 2.479 405 D HA -0.106 4.534 4.640 0.001 0.000 0.257 405 D C 0.883 177.277 176.300 0.156 0.000 1.230 405 D CA 0.587 54.675 54.000 0.147 0.000 0.912 405 D CB 0.888 41.764 40.800 0.126 0.000 1.130 405 D HN 0.156 nan 8.370 nan 0.000 0.515 406 E N 3.168 123.427 120.200 0.098 0.000 2.153 406 E HA -0.140 4.211 4.350 0.001 0.000 0.194 406 E C 1.660 178.304 176.600 0.073 0.000 0.988 406 E CA 1.297 57.764 56.400 0.110 0.000 0.811 406 E CB 0.021 29.799 29.700 0.130 0.000 0.746 406 E HN 0.554 nan 8.360 nan 0.000 0.466 407 A N -0.542 122.300 122.820 0.036 0.000 2.238 407 A HA 0.088 4.409 4.320 0.001 0.000 0.208 407 A C 1.771 179.314 177.584 -0.069 0.000 1.177 407 A CA 0.614 52.647 52.037 -0.006 0.000 0.804 407 A CB 0.253 19.249 19.000 -0.007 0.000 0.823 407 A HN 0.194 nan 8.150 nan 0.000 0.482 408 V N -2.837 117.008 119.914 -0.114 0.000 2.854 408 V HA 0.070 4.191 4.120 0.001 0.000 0.236 408 V C 0.221 176.088 176.094 -0.379 0.000 1.157 408 V CA 0.184 62.278 62.300 -0.343 0.000 1.187 408 V CB -0.342 31.125 31.823 -0.594 0.000 0.949 408 V HN 0.639 nan 8.190 nan 0.000 0.488 409 W N 1.481 122.711 121.300 -0.116 0.000 2.361 409 W HA 0.461 5.121 4.660 -0.000 0.000 0.309 409 W C 1.298 177.832 176.519 0.025 0.000 1.122 409 W CA -0.574 56.686 57.345 -0.142 0.000 1.208 409 W CB 0.454 29.660 29.460 -0.425 0.000 1.246 409 W HN 0.001 nan 8.180 nan 0.000 0.490 410 E N 2.186 122.586 120.200 0.333 0.000 2.113 410 E HA -0.248 4.103 4.350 0.001 0.000 0.210 410 E C 0.109 176.811 176.600 0.169 0.000 1.040 410 E CA 1.590 58.110 56.400 0.200 0.000 0.847 410 E CB -0.017 29.750 29.700 0.112 0.000 0.755 410 E HN 0.423 nan 8.360 nan 0.000 0.459 411 K N -0.497 120.092 120.400 0.314 0.000 2.827 411 K HA 0.178 4.499 4.320 0.001 0.000 0.186 411 K C -2.189 174.554 176.600 0.238 0.000 1.093 411 K CA -1.141 55.235 56.287 0.150 0.000 0.993 411 K CB 1.975 34.376 32.500 -0.165 0.000 1.199 411 K HN -0.141 nan 8.250 nan 0.000 0.598 412 P HA -0.095 nan 4.420 nan 0.000 0.218 412 P C 0.274 177.383 177.300 -0.320 0.000 1.149 412 P CA 0.932 63.919 63.100 -0.190 0.000 0.817 412 P CB 0.172 31.693 31.700 -0.299 0.000 0.785 413 F N -1.018 118.999 119.950 0.113 0.000 2.692 413 F HA 0.182 4.709 4.527 0.001 0.000 0.303 413 F C 1.218 177.218 175.800 0.334 0.000 1.114 413 F CA 0.067 58.153 58.000 0.143 0.000 1.361 413 F CB 0.059 39.120 39.000 0.103 0.000 1.063 413 F HN -0.308 nan 8.300 nan 0.000 0.550 414 R N -0.563 120.198 120.500 0.435 0.000 2.803 414 R HA 0.314 4.655 4.340 0.001 0.000 0.276 414 R C -1.258 175.227 176.300 0.308 0.000 0.978 414 R CA -1.097 55.231 56.100 0.381 0.000 0.939 414 R CB 1.630 32.041 30.300 0.186 0.000 1.179 414 R HN -0.078 nan 8.270 nan 0.000 0.472 415 F N 2.480 122.318 119.950 -0.187 0.000 2.438 415 F HA 0.164 4.692 4.527 0.001 0.000 0.360 415 F C -0.415 175.316 175.800 -0.114 0.000 1.118 415 F CA 0.049 57.819 58.000 -0.385 0.000 1.164 415 F CB 0.105 38.667 39.000 -0.731 0.000 1.131 415 F HN 0.462 nan 8.300 nan 0.000 0.527 416 H N 7.486 126.160 119.070 -0.659 0.000 2.750 416 H HA 0.339 4.895 4.556 0.001 0.000 0.261 416 H C -2.431 172.621 175.328 -0.460 0.000 1.387 416 H CA -1.813 53.920 56.048 -0.526 0.000 1.557 416 H CB 1.082 30.560 29.762 -0.472 0.000 1.756 416 H HN 0.294 nan 8.280 nan 0.000 0.580 417 P HA -0.133 nan 4.420 nan 0.000 0.221 417 P C 1.128 178.291 177.300 -0.227 0.000 1.145 417 P CA 0.909 63.779 63.100 -0.383 0.000 0.795 417 P CB 0.504 31.909 31.700 -0.491 0.000 0.775 418 E N -1.274 118.614 120.200 -0.520 0.000 2.130 418 E HA -0.232 4.118 4.350 0.001 0.000 0.196 418 E C 1.700 178.220 176.600 -0.133 0.000 0.998 418 E CA 1.252 57.429 56.400 -0.373 0.000 0.806 418 E CB -1.059 28.263 29.700 -0.630 0.000 0.738 418 E HN 0.496 nan 8.360 nan 0.000 0.459 419 H N -1.788 117.283 119.070 0.001 0.000 2.407 419 H HA -0.204 4.353 4.556 0.002 0.000 0.293 419 H C 0.876 176.019 175.328 -0.307 0.000 1.122 419 H CA 1.468 57.509 56.048 -0.012 0.000 1.232 419 H CB -0.172 29.636 29.762 0.077 0.000 1.361 419 H HN 0.189 nan 8.280 nan 0.000 0.498 420 F N -0.298 119.704 119.950 0.087 0.000 2.664 420 F HA 0.263 4.790 4.527 0.000 0.000 0.303 420 F C -0.069 175.657 175.800 -0.124 0.000 1.092 420 F CA -0.015 57.934 58.000 -0.085 0.000 1.305 420 F CB 0.654 39.634 39.000 -0.034 0.000 1.054 420 F HN -0.084 nan 8.300 nan 0.000 0.565 421 L N 1.266 122.517 121.223 0.048 0.000 2.333 421 L HA 0.330 4.671 4.340 0.001 0.000 0.280 421 L C -0.265 176.602 176.870 -0.004 0.000 1.004 421 L CA -1.116 53.749 54.840 0.042 0.000 0.820 421 L CB 1.196 43.295 42.059 0.067 0.000 1.247 421 L HN 0.015 nan 8.230 nan 0.000 0.416 422 D N 2.598 122.998 120.400 -0.000 0.000 2.393 422 D HA 0.115 4.755 4.640 0.001 0.000 0.246 422 D C 1.138 177.430 176.300 -0.013 0.000 1.275 422 D CA -0.006 53.989 54.000 -0.008 0.000 0.979 422 D CB 1.011 41.819 40.800 0.013 0.000 1.101 422 D HN 0.490 nan 8.370 nan 0.000 0.505 423 A N -0.156 122.656 122.820 -0.013 0.000 1.986 423 A HA -0.260 4.061 4.320 0.001 0.000 0.220 423 A C 1.999 179.559 177.584 -0.040 0.000 1.171 423 A CA 1.895 53.921 52.037 -0.019 0.000 0.640 423 A CB -0.766 18.228 19.000 -0.011 0.000 0.811 423 A HN 0.585 nan 8.150 nan 0.000 0.451 424 Q N -1.672 118.086 119.800 -0.070 0.000 2.425 424 Q HA 0.344 4.684 4.340 0.001 0.000 0.204 424 Q C 1.099 176.950 176.000 -0.248 0.000 0.933 424 Q CA 0.711 56.413 55.803 -0.169 0.000 0.939 424 Q CB 0.111 28.711 28.738 -0.230 0.000 1.044 424 Q HN 0.937 nan 8.270 nan 0.000 0.513 425 G N 0.538 109.253 108.800 -0.141 0.000 2.182 425 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 425 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 425 G C -0.657 174.205 174.900 -0.063 0.000 1.042 425 G CA -0.154 44.909 45.100 -0.062 0.000 0.775 425 G HN 0.504 nan 8.290 nan 0.000 0.501 426 H N -1.324 117.789 119.070 0.071 0.000 2.481 426 H HA 0.514 5.071 4.556 0.002 0.000 0.339 426 H C 0.345 175.733 175.328 0.100 0.000 1.131 426 H CA -0.645 55.455 56.048 0.086 0.000 1.301 426 H CB 1.037 30.828 29.762 0.048 0.000 1.476 426 H HN 0.248 nan 8.280 nan 0.000 0.529 427 F N 3.852 123.876 119.950 0.123 0.000 2.495 427 F HA 0.301 4.828 4.527 -0.000 0.000 0.365 427 F C -0.312 175.499 175.800 0.019 0.000 1.090 427 F CA -0.529 57.488 58.000 0.027 0.000 1.235 427 F CB 0.251 39.215 39.000 -0.060 0.000 1.119 427 F HN 0.276 nan 8.300 nan 0.000 0.562 428 V N 3.969 123.406 119.914 -0.795 0.000 2.876 428 V HA 0.598 4.719 4.120 0.001 0.000 0.312 428 V C -1.418 174.117 176.094 -0.931 0.000 1.085 428 V CA -1.110 60.768 62.300 -0.705 0.000 0.945 428 V CB 1.823 33.453 31.823 -0.321 0.000 1.017 428 V HN 0.889 nan 8.190 nan 0.000 0.428 429 K N 3.247 123.286 120.400 -0.602 0.000 2.507 429 K HA 0.698 5.019 4.320 0.001 0.000 0.253 429 K C -2.825 173.716 176.600 -0.099 0.000 0.969 429 K CA -1.443 54.701 56.287 -0.238 0.000 0.908 429 K CB 1.330 33.821 32.500 -0.015 0.000 1.127 429 K HN 0.565 nan 8.250 nan 0.000 0.437 430 P HA -0.084 nan 4.420 nan 0.000 0.269 430 P C 0.137 177.428 177.300 -0.015 0.000 1.200 430 P CA -0.045 62.928 63.100 -0.212 0.000 0.779 430 P CB 0.602 31.974 31.700 -0.546 0.000 0.841 431 E N 0.830 120.996 120.200 -0.056 0.000 2.208 431 E HA -0.129 4.222 4.350 0.001 0.000 0.193 431 E C 1.791 178.437 176.600 0.077 0.000 0.988 431 E CA 0.947 57.365 56.400 0.030 0.000 0.828 431 E CB -0.229 29.461 29.700 -0.017 0.000 0.763 431 E HN 0.502 nan 8.360 nan 0.000 0.478 432 A N 1.045 123.859 122.820 -0.011 0.000 2.178 432 A HA -0.148 4.173 4.320 0.001 0.000 0.218 432 A C 0.853 178.701 177.584 0.440 0.000 1.157 432 A CA 0.306 52.409 52.037 0.110 0.000 0.689 432 A CB -0.594 18.327 19.000 -0.132 0.000 0.787 432 A HN 0.252 nan 8.150 nan 0.000 0.465 433 F N 0.844 121.011 119.950 0.363 0.000 2.556 433 F HA 0.373 4.901 4.527 0.002 0.000 0.344 433 F C 0.205 176.180 175.800 0.291 0.000 1.255 433 F CA -0.278 57.997 58.000 0.458 0.000 1.091 433 F CB 0.070 39.442 39.000 0.619 0.000 1.325 433 F HN 0.012 nan 8.300 nan 0.000 0.627 434 L N 8.982 130.110 121.223 -0.160 0.000 2.960 434 L HA 0.204 4.544 4.340 0.001 0.000 0.274 434 L C -1.556 175.141 176.870 -0.289 0.000 1.327 434 L CA -1.001 53.751 54.840 -0.147 0.000 0.860 434 L CB 0.642 42.691 42.059 -0.016 0.000 1.239 434 L HN 0.390 nan 8.230 nan 0.000 0.551 435 P HA -0.097 nan 4.420 nan 0.000 0.221 435 P C 0.955 177.963 177.300 -0.486 0.000 1.150 435 P CA 1.160 63.902 63.100 -0.597 0.000 0.800 435 P CB 0.147 31.309 31.700 -0.896 0.000 0.787 436 F N -0.650 119.237 119.950 -0.106 0.000 2.693 436 F HA 0.281 4.808 4.527 0.001 0.000 0.303 436 F C 1.567 177.388 175.800 0.034 0.000 1.097 436 F CA 0.049 58.051 58.000 0.005 0.000 1.330 436 F CB -0.332 38.690 39.000 0.036 0.000 1.067 436 F HN -0.074 nan 8.300 nan 0.000 0.565 437 S N 0.259 116.032 115.700 0.121 0.000 3.598 437 S HA 0.052 4.522 4.470 0.001 0.000 0.633 437 S C -0.404 174.268 174.600 0.119 0.000 2.409 437 S CA -0.011 58.245 58.200 0.095 0.000 2.818 437 S CB -1.113 62.157 63.200 0.117 0.000 0.322 437 S HN 1.128 nan 8.310 nan 0.000 1.609 438 A N -0.150 122.731 122.820 0.102 0.000 2.608 438 A HA 0.843 5.164 4.320 0.001 0.000 0.292 438 A C 0.724 178.365 177.584 0.094 0.000 1.066 438 A CA 0.857 52.949 52.037 0.093 0.000 0.676 438 A CB 0.540 19.576 19.000 0.060 0.000 1.277 438 A HN 2.972 nan 8.150 nan 0.000 0.413 439 G N 0.266 109.125 108.800 0.098 0.000 2.660 439 G HA2 -0.111 3.849 3.960 0.001 0.000 0.215 439 G HA3 -0.111 3.849 3.960 0.001 0.000 0.215 439 G C 0.462 175.459 174.900 0.162 0.000 1.345 439 G CA 0.247 45.410 45.100 0.105 0.000 0.877 439 G HN 1.045 nan 8.290 nan 0.000 0.549 440 R N -0.224 120.387 120.500 0.186 0.000 2.241 440 R HA -0.004 4.336 4.340 0.001 0.000 0.224 440 R C 1.967 178.514 176.300 0.410 0.000 1.101 440 R CA 1.182 57.458 56.100 0.293 0.000 0.995 440 R CB -0.083 30.412 30.300 0.324 0.000 0.870 440 R HN 0.290 nan 8.270 nan 0.000 0.463 441 R N -0.054 120.636 120.500 0.317 0.000 2.546 441 R HA 0.272 4.612 4.340 0.001 0.000 0.320 441 R C -0.155 176.315 176.300 0.282 0.000 1.021 441 R CA -0.103 56.195 56.100 0.330 0.000 1.088 441 R CB 1.000 31.380 30.300 0.134 0.000 1.278 441 R HN 0.045 nan 8.270 nan 0.000 0.557 442 A N 0.587 123.557 122.820 0.251 0.000 2.366 442 A HA 0.022 4.342 4.320 0.001 0.000 0.250 442 A C 0.384 178.106 177.584 0.231 0.000 1.099 442 A CA -0.287 51.884 52.037 0.222 0.000 0.794 442 A CB 0.267 19.377 19.000 0.184 0.000 1.056 442 A HN 0.470 nan 8.150 nan 0.000 0.499 443 C N 1.830 121.281 119.300 0.253 0.000 2.592 443 C HA 0.140 4.600 4.460 0.001 0.000 0.408 443 C C 1.798 176.889 174.990 0.169 0.000 1.436 443 C CA -0.172 59.005 59.018 0.265 0.000 1.595 443 C CB -2.136 25.843 27.740 0.398 0.000 2.487 443 C HN 0.733 nan 8.230 nan 0.000 0.610 444 L N 4.832 126.160 121.223 0.175 0.000 2.263 444 L HA -0.060 4.281 4.340 0.001 0.000 0.216 444 L C 2.321 179.232 176.870 0.069 0.000 1.111 444 L CA 1.805 56.712 54.840 0.112 0.000 0.773 444 L CB -0.403 41.736 42.059 0.134 0.000 0.906 444 L HN 1.035 nan 8.230 nan 0.000 0.439 445 G N -1.617 107.237 108.800 0.090 0.000 3.020 445 G HA2 -0.096 3.864 3.960 0.001 0.000 0.217 445 G HA3 -0.096 3.864 3.960 0.001 0.000 0.217 445 G C 1.239 176.117 174.900 -0.037 0.000 1.144 445 G CA 0.016 45.160 45.100 0.073 0.000 0.760 445 G HN 0.341 nan 8.290 nan 0.000 0.548 446 E N 1.256 121.337 120.200 -0.199 0.000 2.065 446 E HA -0.163 4.188 4.350 0.001 0.000 0.201 446 E C -0.206 176.197 176.600 -0.328 0.000 1.016 446 E CA 1.606 57.648 56.400 -0.597 0.000 0.818 446 E CB -0.269 28.965 29.700 -0.777 0.000 0.749 446 E HN 0.324 nan 8.360 nan 0.000 0.453 447 P HA -0.143 nan 4.420 nan 0.000 0.216 447 P C 1.343 178.618 177.300 -0.041 0.000 1.150 447 P CA 0.868 63.912 63.100 -0.092 0.000 0.837 447 P CB -0.008 31.655 31.700 -0.061 0.000 0.786 448 L N -0.954 120.262 121.223 -0.011 0.000 2.240 448 L HA 0.124 4.465 4.340 0.001 0.000 0.211 448 L C 2.063 178.986 176.870 0.088 0.000 1.106 448 L CA 1.474 56.341 54.840 0.045 0.000 0.793 448 L CB -1.388 40.712 42.059 0.069 0.000 0.927 448 L HN -0.147 nan 8.230 nan 0.000 0.446 449 A N -0.788 122.085 122.820 0.088 0.000 1.935 449 A HA -0.070 4.250 4.320 0.001 0.000 0.214 449 A C 2.383 180.076 177.584 0.180 0.000 1.178 449 A CA 0.792 52.940 52.037 0.185 0.000 0.640 449 A CB -0.404 18.777 19.000 0.303 0.000 0.825 449 A HN 0.367 nan 8.150 nan 0.000 0.447 450 R N -1.142 119.410 120.500 0.087 0.000 2.103 450 R HA -0.188 4.153 4.340 0.001 0.000 0.242 450 R C 2.271 178.650 176.300 0.131 0.000 1.142 450 R CA 1.903 58.060 56.100 0.094 0.000 0.960 450 R CB -0.409 29.897 30.300 0.009 0.000 0.858 450 R HN 0.677 nan 8.270 nan 0.000 0.439 451 M N 0.764 120.424 119.600 0.100 0.000 2.077 451 M HA -0.184 4.297 4.480 0.001 0.000 0.261 451 M C 1.773 178.139 176.300 0.111 0.000 1.070 451 M CA 1.770 57.134 55.300 0.107 0.000 1.125 451 M CB -0.036 32.594 32.600 0.050 0.000 1.339 451 M HN 0.086 nan 8.290 nan 0.000 0.409 452 E N 0.335 120.604 120.200 0.115 0.000 2.070 452 E HA -0.246 4.104 4.350 0.001 0.000 0.197 452 E C 1.996 178.760 176.600 0.274 0.000 1.004 452 E CA 1.868 58.356 56.400 0.146 0.000 0.805 452 E CB -0.406 29.515 29.700 0.369 0.000 0.744 452 E HN 0.550 nan 8.360 nan 0.000 0.451 453 L N -0.030 121.364 121.223 0.285 0.000 2.012 453 L HA -0.193 4.147 4.340 0.001 0.000 0.210 453 L C 2.496 179.528 176.870 0.269 0.000 1.073 453 L CA 1.274 56.278 54.840 0.274 0.000 0.748 453 L CB -0.520 41.651 42.059 0.188 0.000 0.891 453 L HN 0.144 nan 8.230 nan 0.000 0.431 454 F N 0.582 120.600 119.950 0.112 0.000 2.084 454 F HA -0.204 4.323 4.527 0.000 0.000 0.296 454 F C 2.288 178.169 175.800 0.135 0.000 1.111 454 F CA 1.505 59.571 58.000 0.109 0.000 1.224 454 F CB -0.046 38.980 39.000 0.043 0.000 0.991 454 F HN -0.153 nan 8.300 nan 0.000 0.471 455 L N -0.944 120.220 121.223 -0.099 0.000 2.027 455 L HA -0.204 4.137 4.340 0.001 0.000 0.206 455 L C 2.438 179.208 176.870 -0.167 0.000 1.074 455 L CA 1.139 55.828 54.840 -0.251 0.000 0.745 455 L CB -0.838 41.087 42.059 -0.223 0.000 0.898 455 L HN 0.123 nan 8.230 nan 0.000 0.433 456 F N -0.635 119.347 119.950 0.054 0.000 2.075 456 F HA -0.238 4.289 4.527 0.001 0.000 0.297 456 F C 2.392 178.233 175.800 0.069 0.000 1.113 456 F CA 1.375 59.416 58.000 0.068 0.000 1.218 456 F CB -1.013 38.051 39.000 0.107 0.000 0.984 456 F HN -0.083 nan 8.300 nan 0.000 0.472 457 F N 1.235 121.271 119.950 0.143 0.000 2.095 457 F HA -0.259 4.269 4.527 0.000 0.000 0.298 457 F C 2.692 178.505 175.800 0.022 0.000 1.104 457 F CA 2.185 60.228 58.000 0.072 0.000 1.232 457 F CB -0.816 38.228 39.000 0.074 0.000 0.987 457 F HN 0.074 nan 8.300 nan 0.000 0.475 458 T N -2.634 111.919 114.554 -0.001 0.000 2.639 458 T HA -0.182 4.169 4.350 0.001 0.000 0.261 458 T C 2.201 176.867 174.700 -0.056 0.000 1.053 458 T CA 1.455 63.480 62.100 -0.124 0.000 1.158 458 T CB -1.163 67.475 68.868 -0.384 0.000 0.863 458 T HN 0.238 nan 8.240 nan 0.000 0.413 459 S N 2.082 117.765 115.700 -0.028 0.000 2.408 459 S HA -0.155 4.316 4.470 0.001 0.000 0.241 459 S C 1.979 176.702 174.600 0.205 0.000 1.080 459 S CA 1.922 60.187 58.200 0.108 0.000 1.109 459 S CB -0.860 62.413 63.200 0.123 0.000 0.966 459 S HN 0.453 nan 8.310 nan 0.000 0.449 460 L N 0.395 121.713 121.223 0.157 0.000 2.093 460 L HA -0.001 4.340 4.340 0.001 0.000 0.208 460 L C 2.102 179.200 176.870 0.379 0.000 1.085 460 L CA 0.911 55.929 54.840 0.297 0.000 0.755 460 L CB -0.374 41.771 42.059 0.142 0.000 0.904 460 L HN 0.285 nan 8.230 nan 0.000 0.435 461 L N -0.559 120.747 121.223 0.138 0.000 2.492 461 L HA -0.102 4.239 4.340 0.001 0.000 0.223 461 L C 2.521 179.426 176.870 0.059 0.000 1.132 461 L CA 0.472 55.391 54.840 0.130 0.000 0.850 461 L CB -0.229 41.791 42.059 -0.064 0.000 0.966 461 L HN 0.414 nan 8.230 nan 0.000 0.454 462 Q N -0.107 119.707 119.800 0.023 0.000 2.049 462 Q HA -0.205 4.135 4.340 0.001 0.000 0.198 462 Q C 1.913 177.796 176.000 -0.194 0.000 0.971 462 Q CA 1.616 57.367 55.803 -0.086 0.000 0.833 462 Q CB 0.083 28.746 28.738 -0.124 0.000 0.896 462 Q HN 0.521 nan 8.270 nan 0.000 0.434 463 H N -1.566 117.387 119.070 -0.196 0.000 2.436 463 H HA 0.113 4.669 4.556 0.001 0.000 0.294 463 H C -0.243 174.641 175.328 -0.739 0.000 1.048 463 H CA 0.850 56.595 56.048 -0.504 0.000 1.353 463 H CB 0.349 29.690 29.762 -0.702 0.000 1.414 463 H HN 0.074 nan 8.280 nan 0.000 0.536 464 F N -1.266 118.663 119.950 -0.035 0.000 2.611 464 F HA 0.500 5.027 4.527 0.001 0.000 0.324 464 F C 0.019 175.587 175.800 -0.386 0.000 1.061 464 F CA -1.117 56.713 58.000 -0.283 0.000 0.954 464 F CB 1.803 40.444 39.000 -0.598 0.000 1.301 464 F HN -0.338 nan 8.300 nan 0.000 0.482 465 S N 1.076 116.671 115.700 -0.175 0.000 2.454 465 S HA 0.665 5.135 4.470 0.001 0.000 0.306 465 S C -1.179 173.260 174.600 -0.269 0.000 1.100 465 S CA -0.526 57.579 58.200 -0.159 0.000 1.087 465 S CB 0.443 63.630 63.200 -0.022 0.000 1.019 465 S HN 0.328 nan 8.310 nan 0.000 0.480 466 F N 2.023 122.044 119.950 0.118 0.000 2.422 466 F HA 0.695 5.222 4.527 0.000 0.000 0.333 466 F C 0.945 176.768 175.800 0.038 0.000 1.095 466 F CA -0.414 57.633 58.000 0.079 0.000 1.038 466 F CB 1.689 40.726 39.000 0.062 0.000 1.156 466 F HN 0.593 nan 8.300 nan 0.000 0.483 467 S N 0.330 116.138 115.700 0.180 0.000 2.656 467 S HA 0.631 5.102 4.470 0.001 0.000 0.273 467 S C -1.150 173.477 174.600 0.046 0.000 1.168 467 S CA -1.086 57.166 58.200 0.087 0.000 0.817 467 S CB 1.226 64.463 63.200 0.061 0.000 1.146 467 S HN 0.839 nan 8.310 nan 0.000 0.475 468 V N 0.650 120.569 119.914 0.009 0.000 2.583 468 V HA 0.578 4.698 4.120 0.001 0.000 0.287 468 V C -2.739 173.356 176.094 0.001 0.000 1.051 468 V CA -1.480 60.816 62.300 -0.008 0.000 1.010 468 V CB 0.058 31.860 31.823 -0.036 0.000 0.988 468 V HN 0.796 nan 8.190 nan 0.000 0.478 469 P HA 0.101 nan 4.420 nan 0.000 0.265 469 P C 1.124 178.425 177.300 0.003 0.000 1.187 469 P CA 0.659 63.761 63.100 0.003 0.000 0.766 469 P CB 0.444 32.140 31.700 -0.005 0.000 0.820 470 T N -0.543 114.016 114.554 0.009 0.000 2.881 470 T HA -0.116 4.235 4.350 0.001 0.000 0.270 470 T C 1.955 176.657 174.700 0.004 0.000 1.068 470 T CA 1.389 63.494 62.100 0.008 0.000 1.131 470 T CB -1.070 67.805 68.868 0.013 0.000 0.871 470 T HN 0.479 nan 8.240 nan 0.000 0.479 471 G N 0.759 109.561 108.800 0.002 0.000 2.430 471 G HA2 0.046 4.007 3.960 0.001 0.000 0.216 471 G HA3 0.046 4.007 3.960 0.001 0.000 0.216 471 G C 0.725 175.623 174.900 -0.004 0.000 1.146 471 G CA -0.256 44.844 45.100 -0.000 0.000 0.793 471 G HN 0.523 nan 8.290 nan 0.000 0.537 472 Q N 0.514 120.309 119.800 -0.008 0.000 2.352 472 Q HA 0.180 4.520 4.340 0.001 0.000 0.260 472 Q C -1.320 174.670 176.000 -0.017 0.000 0.976 472 Q CA -1.430 54.365 55.803 -0.013 0.000 0.881 472 Q CB 1.367 30.095 28.738 -0.016 0.000 1.235 472 Q HN 0.124 nan 8.270 nan 0.000 0.419 473 P HA -0.131 nan 4.420 nan 0.000 0.234 473 P C -0.722 176.556 177.300 -0.035 0.000 1.167 473 P CA 0.620 63.707 63.100 -0.021 0.000 0.763 473 P CB 0.285 31.975 31.700 -0.016 0.000 0.835 474 R N -0.522 119.949 120.500 -0.048 0.000 1.063 474 R HA -0.040 4.301 4.340 0.001 0.000 0.428 474 R C -2.690 173.541 176.300 -0.114 0.000 1.336 474 R CA -0.225 55.826 56.100 -0.081 0.000 0.920 474 R CB -1.777 28.476 30.300 -0.079 0.000 2.969 474 R HN 0.057 nan 8.270 nan 0.000 0.513 475 P HA 0.263 nan 4.420 nan 0.000 0.293 475 P C -0.765 176.389 177.300 -0.244 0.000 1.304 475 P CA -0.607 62.402 63.100 -0.152 0.000 0.767 475 P CB 0.953 32.567 31.700 -0.144 0.000 1.247 476 S N -1.490 114.094 115.700 -0.194 0.000 2.586 476 S HA 0.149 4.619 4.470 0.001 0.000 0.274 476 S C 1.385 175.839 174.600 -0.243 0.000 1.281 476 S CA -0.505 57.541 58.200 -0.256 0.000 1.035 476 S CB -0.120 63.070 63.200 -0.017 0.000 0.962 476 S HN 0.425 nan 8.310 nan 0.000 0.512 477 H N 2.679 121.698 119.070 -0.085 0.000 2.395 477 H HA 0.031 4.587 4.556 0.001 0.000 0.299 477 H C 0.093 175.538 175.328 0.195 0.000 1.070 477 H CA 0.557 56.648 56.048 0.070 0.000 1.356 477 H CB -0.491 29.286 29.762 0.026 0.000 1.401 477 H HN 0.612 nan 8.280 nan 0.000 0.524 478 H N 1.025 120.398 119.070 0.505 0.000 2.629 478 H HA 0.417 4.974 4.556 0.001 0.000 0.357 478 H C 0.647 176.192 175.328 0.363 0.000 1.121 478 H CA 0.263 56.546 56.048 0.392 0.000 1.406 478 H CB 1.194 31.123 29.762 0.278 0.000 1.456 478 H HN 0.362 nan 8.280 nan 0.000 0.579 479 G N 0.161 109.279 108.800 0.530 0.000 2.533 479 G HA2 0.442 4.403 3.960 0.001 0.000 0.304 479 G HA3 0.442 4.403 3.960 0.001 0.000 0.304 479 G C -0.713 174.385 174.900 0.329 0.000 1.263 479 G CA -0.788 44.572 45.100 0.433 0.000 0.964 479 G HN 0.480 nan 8.290 nan 0.000 0.479 480 V N 0.410 120.465 119.914 0.234 0.000 2.455 480 V HA 0.293 4.413 4.120 0.001 0.000 0.273 480 V C -0.236 176.003 176.094 0.241 0.000 1.045 480 V CA -0.644 61.772 62.300 0.193 0.000 0.976 480 V CB 0.678 32.559 31.823 0.097 0.000 0.993 480 V HN 0.527 nan 8.190 nan 0.000 0.475 481 F N 5.949 125.956 119.950 0.094 0.000 2.499 481 F HA 0.718 5.245 4.527 0.001 0.000 0.353 481 F C 0.668 176.510 175.800 0.070 0.000 1.196 481 F CA -0.785 57.265 58.000 0.084 0.000 1.244 481 F CB -0.403 38.643 39.000 0.077 0.000 1.577 481 F HN 0.685 nan 8.300 nan 0.000 0.614 482 A N 3.714 126.384 122.820 -0.251 0.000 2.529 482 A HA 0.255 4.575 4.320 0.001 0.000 0.269 482 A C 0.628 177.959 177.584 -0.422 0.000 1.509 482 A CA -0.403 51.423 52.037 -0.352 0.000 0.857 482 A CB -0.327 18.614 19.000 -0.098 0.000 1.531 482 A HN 0.636 nan 8.150 nan 0.000 0.541 483 F N -1.411 118.361 119.950 -0.297 0.000 2.722 483 F HA 0.216 4.744 4.527 0.001 0.000 0.298 483 F C 0.397 176.187 175.800 -0.016 0.000 1.175 483 F CA 0.938 58.858 58.000 -0.133 0.000 1.462 483 F CB -0.014 38.959 39.000 -0.045 0.000 1.111 483 F HN 0.193 nan 8.300 nan 0.000 0.592 484 L N 0.457 121.742 121.223 0.104 0.000 2.439 484 L HA 0.387 4.728 4.340 0.001 0.000 0.270 484 L C -1.041 175.910 176.870 0.135 0.000 0.972 484 L CA -0.871 54.041 54.840 0.120 0.000 0.836 484 L CB 1.839 43.969 42.059 0.118 0.000 1.255 484 L HN -0.253 nan 8.230 nan 0.000 0.404 485 V N 2.201 122.244 119.914 0.215 0.000 2.350 485 V HA 0.613 4.734 4.120 0.001 0.000 0.276 485 V C 0.068 176.430 176.094 0.447 0.000 1.028 485 V CA 0.004 62.494 62.300 0.317 0.000 0.860 485 V CB 1.372 33.427 31.823 0.386 0.000 0.990 485 V HN 0.753 nan 8.190 nan 0.000 0.453 486 S N 7.161 123.019 115.700 0.264 0.000 2.652 486 S HA 0.599 5.069 4.470 0.001 0.000 0.270 486 S C -2.531 171.948 174.600 -0.202 0.000 1.243 486 S CA -0.879 57.349 58.200 0.046 0.000 0.999 486 S CB 1.198 64.370 63.200 -0.047 0.000 0.973 486 S HN 0.827 nan 8.310 nan 0.000 0.544 487 P HA 0.169 nan 4.420 nan 0.000 0.275 487 P C -0.519 176.615 177.300 -0.277 0.000 1.227 487 P CA -0.467 62.097 63.100 -0.895 0.000 0.781 487 P CB 0.237 31.328 31.700 -1.016 0.000 0.906 488 S N 3.292 118.920 115.700 -0.120 0.000 2.563 488 S HA 0.149 4.620 4.470 0.001 0.000 0.284 488 S C -2.214 172.369 174.600 -0.029 0.000 1.331 488 S CA -0.967 57.209 58.200 -0.041 0.000 1.047 488 S CB -1.222 61.985 63.200 0.011 0.000 0.859 488 S HN 0.314 nan 8.310 nan 0.000 0.514 489 P HA 0.176 nan 4.420 nan 0.000 0.261 489 P C -0.842 176.418 177.300 -0.066 0.000 1.183 489 P CA 0.236 63.258 63.100 -0.129 0.000 0.761 489 P CB -0.242 31.381 31.700 -0.129 0.000 0.785 490 Y N 0.291 120.481 120.300 -0.183 0.000 2.545 490 Y HA 0.646 5.197 4.550 0.001 0.000 0.348 490 Y C -0.320 175.455 175.900 -0.210 0.000 1.002 490 Y CA -1.456 56.535 58.100 -0.182 0.000 1.039 490 Y CB 1.628 39.970 38.460 -0.197 0.000 1.271 490 Y HN 0.381 nan 8.280 nan 0.000 0.467 491 E N 4.481 124.608 120.200 -0.123 0.000 2.235 491 E HA 0.727 5.077 4.350 0.001 0.000 0.265 491 E C -1.241 175.299 176.600 -0.100 0.000 0.940 491 E CA -1.197 55.058 56.400 -0.242 0.000 0.819 491 E CB 2.978 32.551 29.700 -0.213 0.000 1.206 491 E HN 0.889 nan 8.360 nan 0.000 0.409 492 L N -1.322 119.742 121.223 -0.264 0.000 2.376 492 L HA 0.757 5.098 4.340 0.001 0.000 0.258 492 L C -1.291 175.462 176.870 -0.195 0.000 1.013 492 L CA -1.086 53.668 54.840 -0.143 0.000 0.822 492 L CB 2.062 44.101 42.059 -0.034 0.000 1.388 492 L HN 0.670 nan 8.230 nan 0.000 0.413 493 C N 2.106 121.400 119.300 -0.009 0.000 2.341 493 C HA 0.829 5.289 4.460 0.001 0.000 0.338 493 C C 0.698 175.752 174.990 0.106 0.000 1.257 493 C CA -0.225 58.830 59.018 0.062 0.000 1.883 493 C CB 0.803 28.581 27.740 0.062 0.000 2.334 493 C HN 0.863 nan 8.230 nan 0.000 0.524 494 A N 3.323 126.217 122.820 0.124 0.000 2.293 494 A HA 0.687 5.007 4.320 0.001 0.000 0.312 494 A C -0.424 177.219 177.584 0.098 0.000 1.309 494 A CA -0.289 51.728 52.037 -0.033 0.000 0.839 494 A CB 0.307 19.232 19.000 -0.126 0.000 1.155 494 A HN 1.043 nan 8.150 nan 0.000 0.501 495 V N 1.178 121.153 119.914 0.102 0.000 2.459 495 V HA 0.619 4.739 4.120 0.001 0.000 0.295 495 V C -2.757 173.437 176.094 0.166 0.000 1.029 495 V CA -2.562 59.834 62.300 0.160 0.000 0.874 495 V CB 1.276 33.147 31.823 0.080 0.000 0.985 495 V HN 0.599 nan 8.190 nan 0.000 0.438 496 P HA 0.344 nan 4.420 nan 0.000 0.271 496 P C -0.375 176.906 177.300 -0.031 0.000 1.244 496 P CA -0.166 62.921 63.100 -0.022 0.000 0.793 496 P CB 0.549 32.236 31.700 -0.022 0.000 0.984 497 R N 0.000 120.457 120.500 -0.072 0.000 2.786 497 R HA 0.000 4.341 4.340 0.001 0.000 0.208 497 R CA 0.000 56.070 56.100 -0.050 0.000 0.921 497 R CB 0.000 30.262 30.300 -0.063 0.000 0.687 497 R HN 0.000 nan 8.270 nan 0.000 0.535