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 3kez_1_B DATA FIRST_RESID 35 DATA SEQUENCE ETSINVLSDI EFTLNGIYST XQSSDAYSGR LVYYGDVTGD DXQAVSSTKR DATA SEQUENCE TGNYYRFNFT KDNGPSSHWS YLYSIIQNCN LILXNVDKLS IDEDETEYKN DATA SEQUENCE DLKGQALAIR GXALFDLTRI FGYPYLKDNG ASLGVPIVKE LSTIDSKPAR DATA SEQUENCE NTVAECYTEI ISDLKNSTEL LSGDFNKGKV NRWAAXTLLS RVYLYKGEYN DATA SEQUENCE EALTXAENAI KGAEKEGYAL WTNEEYPTAW GNDASASNPG EILFEIVNLT DATA SEQUENCE TDSPGKESXG YLNSYNGYDD XCITCSFYQL LKKDPKDVRL KILSFDKKYY DATA SEQUENCE AYVNKYQPQQ GENITDANIP LIRLSEAYLN AAEAAVQTGD NAKAVKYLNS DATA SEQUENCE IVQRANPENS VEGKTLTLEN VLDERRKELV AEGHRXYDVI RNGXTVKRID DATA SEQUENCE VKDSDINKTK HNTAYXEYDW NFHKILLPIP KKEXDANPNX KQNPGYVD 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 35 E HA 0.000 nan 4.350 nan 0.000 0.291 35 E C 0.000 176.590 176.600 -0.017 0.000 1.382 35 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 35 E CB 0.000 29.689 29.700 -0.017 0.000 0.812 36 T N -2.366 112.178 114.554 -0.018 0.000 2.511 36 T HA 0.556 4.919 4.350 0.022 0.000 0.209 36 T C 0.765 175.453 174.700 -0.019 0.000 0.805 36 T CA 0.551 62.641 62.100 -0.016 0.000 1.241 36 T CB 0.485 69.345 68.868 -0.014 0.000 1.785 36 T HN 0.373 nan 8.240 nan 0.000 0.492 37 S N -0.876 114.816 115.700 -0.014 0.000 2.628 37 S HA 0.353 4.837 4.470 0.022 0.000 0.246 37 S C 0.203 174.797 174.600 -0.011 0.000 1.062 37 S CA -0.519 57.671 58.200 -0.017 0.000 1.028 37 S CB 0.160 63.361 63.200 0.001 0.000 0.985 37 S HN 0.556 nan 8.310 nan 0.000 0.551 38 I N 3.727 124.293 120.570 -0.006 0.000 2.395 38 I HA 0.407 4.590 4.170 0.022 0.000 0.282 38 I C -0.009 176.104 176.117 -0.007 0.000 1.107 38 I CA -0.122 61.177 61.300 -0.002 0.000 1.210 38 I CB -0.462 37.536 38.000 -0.002 0.000 1.456 38 I HN 0.273 nan 8.210 nan 0.000 0.504 39 N N 2.892 121.587 118.700 -0.009 0.000 2.414 39 N HA 0.100 4.853 4.740 0.022 0.000 0.177 39 N C 0.385 175.895 175.510 -0.001 0.000 1.062 39 N CA 0.210 53.255 53.050 -0.009 0.000 0.890 39 N CB 0.965 39.443 38.487 -0.015 0.000 1.070 39 N HN 0.451 nan 8.380 nan 0.000 0.454 40 V N -2.615 117.303 119.914 0.007 0.000 3.160 40 V HA 0.335 4.469 4.120 0.022 0.000 0.310 40 V C 0.957 177.074 176.094 0.037 0.000 1.181 40 V CA -0.940 61.373 62.300 0.022 0.000 1.047 40 V CB 1.540 33.378 31.823 0.025 0.000 1.068 40 V HN -0.094 nan 8.190 nan 0.000 0.441 41 L N 1.181 122.440 121.223 0.060 0.000 2.191 41 L HA -0.111 4.243 4.340 0.022 0.000 0.212 41 L C 2.833 179.775 176.870 0.119 0.000 1.103 41 L CA 1.985 56.870 54.840 0.076 0.000 0.769 41 L CB -0.230 41.910 42.059 0.135 0.000 0.908 41 L HN 1.077 nan 8.230 nan 0.000 0.438 42 S N -0.971 114.804 115.700 0.126 0.000 2.399 42 S HA -0.205 4.279 4.470 0.022 0.000 0.231 42 S C 1.552 176.231 174.600 0.132 0.000 1.022 42 S CA 1.303 59.585 58.200 0.137 0.000 0.983 42 S CB -0.294 62.963 63.200 0.094 0.000 0.803 42 S HN 0.403 nan 8.310 nan 0.000 0.480 43 D N 1.459 121.911 120.400 0.086 0.000 2.219 43 D HA 0.014 4.668 4.640 0.022 0.000 0.205 43 D C 1.905 178.286 176.300 0.134 0.000 0.970 43 D CA 0.745 54.799 54.000 0.091 0.000 0.851 43 D CB -0.153 40.665 40.800 0.029 0.000 0.943 43 D HN 0.396 nan 8.370 nan 0.000 0.488 44 I N 0.913 121.532 120.570 0.080 0.000 2.353 44 I HA -0.131 4.052 4.170 0.022 0.000 0.248 44 I C 2.345 178.499 176.117 0.063 0.000 1.119 44 I CA 0.789 62.114 61.300 0.040 0.000 1.417 44 I CB -0.872 37.111 38.000 -0.029 0.000 1.078 44 I HN 0.042 nan 8.210 nan 0.000 0.421 45 E N 0.625 120.889 120.200 0.106 0.000 2.072 45 E HA -0.258 4.105 4.350 0.022 0.000 0.191 45 E C 2.253 178.944 176.600 0.151 0.000 0.985 45 E CA 1.029 57.510 56.400 0.134 0.000 0.801 45 E CB -0.163 29.657 29.700 0.200 0.000 0.750 45 E HN 0.326 nan 8.360 nan 0.000 0.452 46 F N 1.157 121.136 119.950 0.049 0.000 2.126 46 F HA -0.223 4.318 4.527 0.023 0.000 0.299 46 F C 2.252 178.068 175.800 0.028 0.000 1.096 46 F CA 1.950 59.975 58.000 0.041 0.000 1.255 46 F CB -0.486 38.531 39.000 0.028 0.000 0.997 46 F HN -0.035 nan 8.300 nan 0.000 0.479 47 T N 1.407 116.038 114.554 0.129 0.000 2.788 47 T HA -0.170 4.193 4.350 0.022 0.000 0.268 47 T C 2.149 176.792 174.700 -0.096 0.000 1.044 47 T CA 1.649 63.751 62.100 0.004 0.000 1.139 47 T CB -0.502 68.398 68.868 0.053 0.000 0.867 47 T HN 0.251 nan 8.240 nan 0.000 0.454 48 L N 0.983 122.171 121.223 -0.059 0.000 2.027 48 L HA -0.107 4.246 4.340 0.022 0.000 0.206 48 L C 2.575 179.436 176.870 -0.016 0.000 1.074 48 L CA 1.000 55.788 54.840 -0.086 0.000 0.745 48 L CB -0.581 41.489 42.059 0.020 0.000 0.898 48 L HN 0.181 nan 8.230 nan 0.000 0.433 49 N N 0.416 119.132 118.700 0.026 0.000 2.104 49 N HA -0.157 4.596 4.740 0.022 0.000 0.190 49 N C 1.797 177.268 175.510 -0.064 0.000 1.024 49 N CA 1.532 54.607 53.050 0.041 0.000 0.853 49 N CB -0.710 37.742 38.487 -0.058 0.000 1.008 49 N HN 0.362 nan 8.380 nan 0.000 0.424 50 G N 0.869 109.529 108.800 -0.233 0.000 2.418 50 G HA2 -0.164 3.809 3.960 0.022 0.000 0.217 50 G HA3 -0.164 3.809 3.960 0.022 0.000 0.217 50 G C 1.648 176.478 174.900 -0.118 0.000 1.158 50 G CA 0.450 45.421 45.100 -0.214 0.000 0.771 50 G HN 0.281 nan 8.290 nan 0.000 0.545 51 I N -0.561 119.918 120.570 -0.152 0.000 2.179 51 I HA -0.181 4.003 4.170 0.022 0.000 0.242 51 I C 2.458 178.493 176.117 -0.136 0.000 1.088 51 I CA 1.005 62.195 61.300 -0.184 0.000 1.357 51 I CB -0.302 37.510 38.000 -0.314 0.000 1.051 51 I HN 0.108 nan 8.210 nan 0.000 0.409 52 Y N 0.804 121.111 120.300 0.012 0.000 2.207 52 Y HA -0.237 4.326 4.550 0.022 0.000 0.287 52 Y C 2.921 178.852 175.900 0.053 0.000 1.156 52 Y CA 1.429 59.564 58.100 0.059 0.000 1.182 52 Y CB -0.918 37.577 38.460 0.057 0.000 0.979 52 Y HN 0.098 nan 8.280 nan 0.000 0.521 53 S N -0.848 114.939 115.700 0.145 0.000 2.368 53 S HA -0.124 4.359 4.470 0.022 0.000 0.225 53 S C 1.224 175.885 174.600 0.102 0.000 1.030 53 S CA 1.238 59.494 58.200 0.093 0.000 0.999 53 S CB -0.577 62.640 63.200 0.028 0.000 0.844 53 S HN 0.369 nan 8.310 nan 0.000 0.459 57 S N 0.677 116.412 115.700 0.058 0.000 2.563 57 S HA 0.026 4.509 4.470 0.022 0.000 0.284 57 S C 1.423 175.955 174.600 -0.114 0.000 1.331 57 S CA 0.587 58.777 58.200 -0.017 0.000 1.047 57 S CB 0.921 64.106 63.200 -0.025 0.000 0.859 57 S HN 0.428 nan 8.310 nan 0.000 0.514 58 S N 2.757 118.394 115.700 -0.105 0.000 2.419 58 S HA -0.122 4.362 4.470 0.022 0.000 0.235 58 S C 1.019 175.471 174.600 -0.247 0.000 1.019 58 S CA 1.268 59.393 58.200 -0.124 0.000 0.982 58 S CB -0.380 62.786 63.200 -0.057 0.000 0.789 58 S HN 0.790 nan 8.310 nan 0.000 0.490 59 D N 1.633 121.794 120.400 -0.400 0.000 2.348 59 D HA 0.364 5.017 4.640 0.022 0.000 0.216 59 D C 1.298 177.117 176.300 -0.802 0.000 0.970 59 D CA 0.939 54.549 54.000 -0.650 0.000 0.889 59 D CB 0.158 40.415 40.800 -0.905 0.000 0.912 59 D HN 0.603 nan 8.370 nan 0.000 0.524 60 A N -0.573 121.867 122.820 -0.633 0.000 3.044 60 A HA 0.284 4.618 4.320 0.022 0.000 0.200 60 A C 0.495 177.802 177.584 -0.461 0.000 1.557 60 A CA -0.282 51.406 52.037 -0.583 0.000 1.647 60 A CB -0.486 18.305 19.000 -0.347 0.000 1.580 60 A HN 0.024 nan 8.150 nan 0.000 0.503 61 Y N 1.109 121.352 120.300 -0.095 0.000 2.490 61 Y HA 0.173 4.736 4.550 0.022 0.000 0.281 61 Y C 2.104 177.971 175.900 -0.054 0.000 1.174 61 Y CA 0.841 58.908 58.100 -0.055 0.000 1.295 61 Y CB 0.294 38.755 38.460 0.002 0.000 1.062 61 Y HN 0.246 nan 8.280 nan 0.000 0.522 62 S N -0.907 114.807 115.700 0.024 0.000 2.575 62 S HA 0.269 4.753 4.470 0.022 0.000 0.215 62 S C 1.479 176.036 174.600 -0.071 0.000 0.966 62 S CA 0.617 58.812 58.200 -0.009 0.000 0.911 62 S CB 0.147 63.344 63.200 -0.005 0.000 0.780 62 S HN 0.644 nan 8.310 nan 0.000 0.514 63 G N 1.130 109.855 108.800 -0.124 0.000 3.249 63 G HA2 0.118 4.091 3.960 0.022 0.000 0.143 63 G HA3 0.118 4.091 3.960 0.022 0.000 0.143 63 G C 0.664 175.352 174.900 -0.354 0.000 1.393 63 G CA -0.424 44.602 45.100 -0.122 0.000 1.216 63 G HN 0.169 nan 8.290 nan 0.000 0.728 64 R N 0.326 120.490 120.500 -0.562 0.000 2.105 64 R HA 0.099 4.452 4.340 0.022 0.000 0.239 64 R C 2.509 178.340 176.300 -0.782 0.000 1.135 64 R CA 1.112 56.590 56.100 -1.036 0.000 0.967 64 R CB -0.449 29.373 30.300 -0.796 0.000 0.861 64 R HN 0.298 nan 8.270 nan 0.000 0.442 65 L N 0.308 121.216 121.223 -0.525 0.000 2.376 65 L HA -0.090 4.264 4.340 0.022 0.000 0.219 65 L C 2.031 178.832 176.870 -0.115 0.000 1.133 65 L CA 0.465 55.101 54.840 -0.340 0.000 0.816 65 L CB -0.076 41.619 42.059 -0.608 0.000 0.933 65 L HN 0.027 nan 8.230 nan 0.000 0.449 66 V N -1.006 118.839 119.914 -0.116 0.000 2.374 66 V HA -0.229 3.904 4.120 0.022 0.000 0.241 66 V C 2.149 178.289 176.094 0.076 0.000 1.034 66 V CA 1.263 63.595 62.300 0.054 0.000 1.037 66 V CB -0.636 31.244 31.823 0.096 0.000 0.682 66 V HN 0.457 nan 8.190 nan 0.000 0.463 67 Y N -0.492 119.805 120.300 -0.006 0.000 2.439 67 Y HA -0.146 4.423 4.550 0.031 0.000 0.292 67 Y C 2.287 178.159 175.900 -0.047 0.000 1.130 67 Y CA 0.633 58.712 58.100 -0.036 0.000 1.254 67 Y CB -1.421 36.981 38.460 -0.097 0.000 1.000 67 Y HN 0.284 nan 8.280 nan 0.000 0.554 68 Y N 2.036 122.244 120.300 -0.155 0.000 2.030 68 Y HA -0.249 4.315 4.550 0.024 0.000 0.272 68 Y C 2.680 178.529 175.900 -0.084 0.000 1.185 68 Y CA 2.246 60.267 58.100 -0.131 0.000 1.120 68 Y CB -0.846 37.499 38.460 -0.191 0.000 0.955 68 Y HN 0.218 nan 8.280 nan 0.000 0.495 69 G N -0.874 107.892 108.800 -0.057 0.000 2.509 69 G HA2 -0.188 3.786 3.960 0.022 0.000 0.218 69 G HA3 -0.188 3.786 3.960 0.022 0.000 0.218 69 G C 1.286 176.142 174.900 -0.073 0.000 1.124 69 G CA 1.023 45.983 45.100 -0.234 0.000 0.776 69 G HN 0.458 nan 8.290 nan 0.000 0.547 70 D N 0.211 120.619 120.400 0.013 0.000 2.202 70 D HA -0.066 4.587 4.640 0.022 0.000 0.214 70 D C 2.891 179.201 176.300 0.017 0.000 0.967 70 D CA 1.509 55.528 54.000 0.031 0.000 0.871 70 D CB -0.186 40.647 40.800 0.054 0.000 1.020 70 D HN 0.296 nan 8.370 nan 0.000 0.474 71 V N 0.322 120.245 119.914 0.014 0.000 3.217 71 V HA -0.028 4.106 4.120 0.022 0.000 0.264 71 V C 2.026 178.152 176.094 0.055 0.000 1.135 71 V CA 1.665 63.993 62.300 0.046 0.000 1.142 71 V CB -1.006 30.832 31.823 0.026 0.000 0.754 71 V HN 0.110 nan 8.190 nan 0.000 0.484 72 T N -2.535 111.959 114.554 -0.101 0.000 3.129 72 T HA 0.452 4.815 4.350 0.022 0.000 0.251 72 T C 0.965 175.806 174.700 0.235 0.000 1.117 72 T CA 0.487 62.512 62.100 -0.125 0.000 1.034 72 T CB -0.036 68.603 68.868 -0.382 0.000 0.968 72 T HN 0.713 nan 8.240 nan 0.000 0.526 73 G N 1.516 110.425 108.800 0.183 0.000 2.782 73 G HA2 0.461 4.434 3.960 0.022 0.000 0.201 73 G HA3 0.461 4.434 3.960 0.022 0.000 0.201 73 G C 0.039 175.082 174.900 0.238 0.000 1.374 73 G CA 0.016 45.243 45.100 0.211 0.000 1.039 73 G HN 0.325 nan 8.290 nan 0.000 0.576 74 D N -1.216 119.280 120.400 0.160 0.000 2.441 74 D HA 0.144 4.797 4.640 0.022 0.000 0.210 74 D C -0.245 176.174 176.300 0.198 0.000 1.102 74 D CA -0.005 54.101 54.000 0.177 0.000 0.840 74 D CB 0.376 41.233 40.800 0.096 0.000 0.990 74 D HN 0.099 nan 8.370 nan 0.000 0.505 78 A N 1.073 123.490 122.820 -0.673 0.000 2.511 78 A HA 0.342 4.676 4.320 0.022 0.000 0.242 78 A C 0.968 178.314 177.584 -0.397 0.000 1.069 78 A CA -0.016 51.776 52.037 -0.409 0.000 0.763 78 A CB 0.416 19.293 19.000 -0.205 0.000 1.001 78 A HN 0.639 nan 8.150 nan 0.000 0.498 79 V N 2.293 122.041 119.914 -0.278 0.000 2.407 79 V HA -0.071 4.062 4.120 0.022 0.000 0.248 79 V C 1.381 177.383 176.094 -0.153 0.000 1.055 79 V CA 2.240 64.375 62.300 -0.274 0.000 1.049 79 V CB -0.977 30.611 31.823 -0.392 0.000 0.662 79 V HN 1.152 nan 8.190 nan 0.000 0.455 80 S N -3.099 112.530 115.700 -0.118 0.000 2.656 80 S HA 0.316 4.800 4.470 0.022 0.000 0.273 80 S C 0.503 175.095 174.600 -0.013 0.000 1.168 80 S CA 0.144 58.320 58.200 -0.040 0.000 0.817 80 S CB 1.557 64.740 63.200 -0.027 0.000 1.146 80 S HN -0.044 nan 8.310 nan 0.000 0.475 81 S N 0.803 116.519 115.700 0.026 0.000 2.419 81 S HA -0.046 4.437 4.470 0.022 0.000 0.233 81 S C 1.776 176.375 174.600 -0.002 0.000 1.016 81 S CA 1.725 59.947 58.200 0.037 0.000 0.974 81 S CB -0.711 62.510 63.200 0.035 0.000 0.786 81 S HN 1.006 nan 8.310 nan 0.000 0.492 82 T N -0.678 113.866 114.554 -0.018 0.000 3.107 82 T HA 0.185 4.549 4.350 0.022 0.000 0.249 82 T C 0.522 175.191 174.700 -0.053 0.000 1.096 82 T CA -0.187 61.894 62.100 -0.032 0.000 1.012 82 T CB -0.001 68.850 68.868 -0.029 0.000 0.977 82 T HN -0.047 nan 8.240 nan 0.000 0.527 83 K N 1.627 121.991 120.400 -0.060 0.000 2.276 83 K HA 0.292 4.625 4.320 0.022 0.000 0.259 83 K C 1.276 177.836 176.600 -0.066 0.000 1.001 83 K CA -0.279 55.955 56.287 -0.088 0.000 0.927 83 K CB 0.540 32.976 32.500 -0.106 0.000 0.969 83 K HN 0.058 nan 8.250 nan 0.000 0.490 84 R N 0.286 120.731 120.500 -0.092 0.000 2.133 84 R HA -0.146 4.207 4.340 0.022 0.000 0.247 84 R C 1.898 178.225 176.300 0.046 0.000 1.151 84 R CA 2.341 58.429 56.100 -0.019 0.000 0.971 84 R CB -0.599 29.672 30.300 -0.048 0.000 0.866 84 R HN 0.867 nan 8.270 nan 0.000 0.447 85 T N -3.670 110.810 114.554 -0.123 0.000 3.129 85 T HA 0.144 4.508 4.350 0.022 0.000 0.251 85 T C 1.860 176.623 174.700 0.105 0.000 1.117 85 T CA 0.430 62.451 62.100 -0.131 0.000 1.034 85 T CB 0.358 68.959 68.868 -0.444 0.000 0.968 85 T HN 0.278 nan 8.240 nan 0.000 0.526 86 G N 2.241 111.076 108.800 0.057 0.000 2.421 86 G HA2 -0.207 3.767 3.960 0.022 0.000 0.216 86 G HA3 -0.207 3.767 3.960 0.022 0.000 0.216 86 G C 1.675 176.578 174.900 0.005 0.000 1.171 86 G CA 0.384 45.521 45.100 0.063 0.000 0.775 86 G HN 0.454 nan 8.290 nan 0.000 0.543 87 N N -0.150 118.460 118.700 -0.149 0.000 2.309 87 N HA -0.051 4.702 4.740 0.022 0.000 0.182 87 N C 1.806 176.969 175.510 -0.578 0.000 1.018 87 N CA 0.743 53.458 53.050 -0.559 0.000 0.876 87 N CB -0.280 37.521 38.487 -1.143 0.000 0.972 87 N HN 0.485 nan 8.380 nan 0.000 0.434 88 Y N -0.388 119.836 120.300 -0.128 0.000 2.153 88 Y HA -0.169 4.392 4.550 0.019 0.000 0.289 88 Y C 2.356 178.002 175.900 -0.423 0.000 1.127 88 Y CA 1.065 59.109 58.100 -0.093 0.000 1.131 88 Y CB -0.909 37.645 38.460 0.156 0.000 0.995 88 Y HN 0.038 nan 8.280 nan 0.000 0.505 89 Y N 1.504 121.698 120.300 -0.177 0.000 2.114 89 Y HA -0.280 4.290 4.550 0.033 0.000 0.282 89 Y C 1.959 177.708 175.900 -0.253 0.000 1.165 89 Y CA 1.690 59.652 58.100 -0.230 0.000 1.148 89 Y CB -0.410 38.006 38.460 -0.072 0.000 0.972 89 Y HN -0.039 nan 8.280 nan 0.000 0.504 90 R N -0.696 119.579 120.500 -0.375 0.000 2.313 90 R HA 0.024 4.378 4.340 0.022 0.000 0.199 90 R C -0.259 176.082 176.300 0.068 0.000 0.958 90 R CA 0.477 56.432 56.100 -0.242 0.000 1.047 90 R CB -0.427 29.816 30.300 -0.095 0.000 0.955 90 R HN 0.332 nan 8.270 nan 0.000 0.481 91 F N 0.216 120.112 119.950 -0.089 0.000 2.943 91 F HA -0.273 4.268 4.527 0.024 0.000 0.258 91 F C 0.830 176.598 175.800 -0.054 0.000 0.995 91 F CA 0.410 58.346 58.000 -0.108 0.000 0.896 91 F CB -1.809 37.044 39.000 -0.245 0.000 0.821 91 F HN 0.153 nan 8.300 nan 0.000 0.828 92 N N -0.140 118.491 118.700 -0.114 0.000 2.270 92 N HA 0.159 4.913 4.740 0.022 0.000 0.198 92 N C 0.075 175.477 175.510 -0.179 0.000 1.117 92 N CA 0.059 53.024 53.050 -0.141 0.000 0.845 92 N CB 0.185 38.522 38.487 -0.250 0.000 0.980 92 N HN 0.194 nan 8.380 nan 0.000 0.486 93 F N 0.132 120.098 119.950 0.028 0.000 2.371 93 F HA 0.368 4.911 4.527 0.025 0.000 0.329 93 F C 1.381 177.260 175.800 0.132 0.000 1.107 93 F CA -0.549 57.460 58.000 0.015 0.000 1.137 93 F CB 1.108 40.062 39.000 -0.078 0.000 1.214 93 F HN -0.143 nan 8.300 nan 0.000 0.536 94 T N -2.087 112.658 114.554 0.318 0.000 2.910 94 T HA 0.312 4.675 4.350 0.022 0.000 0.287 94 T C 0.697 175.469 174.700 0.120 0.000 1.050 94 T CA -0.911 61.350 62.100 0.268 0.000 1.011 94 T CB 1.675 70.653 68.868 0.183 0.000 1.195 94 T HN 0.696 nan 8.240 nan 0.000 0.540 95 K N 0.125 120.584 120.400 0.098 0.000 2.280 95 K HA -0.120 4.214 4.320 0.022 0.000 0.202 95 K C 0.650 177.226 176.600 -0.039 0.000 1.047 95 K CA 1.482 57.743 56.287 -0.043 0.000 0.942 95 K CB -0.224 32.275 32.500 -0.001 0.000 0.739 95 K HN 0.521 nan 8.250 nan 0.000 0.457 96 D N 1.558 121.967 120.400 0.015 0.000 2.216 96 D HA -0.075 4.578 4.640 0.022 0.000 0.208 96 D C 1.049 177.357 176.300 0.013 0.000 0.960 96 D CA 1.067 55.072 54.000 0.008 0.000 0.861 96 D CB -0.014 40.802 40.800 0.027 0.000 0.985 96 D HN 0.512 nan 8.370 nan 0.000 0.493 97 N N 0.276 119.010 118.700 0.056 0.000 2.187 97 N HA 0.085 4.838 4.740 0.022 0.000 0.212 97 N C 0.772 176.324 175.510 0.069 0.000 1.152 97 N CA -0.271 52.832 53.050 0.089 0.000 0.872 97 N CB -0.063 38.514 38.487 0.149 0.000 1.025 97 N HN -0.137 nan 8.380 nan 0.000 0.514 98 G N 1.459 110.219 108.800 -0.066 0.000 2.554 98 G HA2 0.281 4.254 3.960 0.022 0.000 0.238 98 G HA3 0.281 4.254 3.960 0.022 0.000 0.238 98 G C -2.218 172.435 174.900 -0.412 0.000 1.259 98 G CA -0.679 44.177 45.100 -0.407 0.000 0.843 98 G HN 0.199 nan 8.290 nan 0.000 0.582 99 P HA 0.131 nan 4.420 nan 0.000 0.274 99 P C 0.507 177.807 177.300 -0.001 0.000 1.231 99 P CA -0.204 62.777 63.100 -0.197 0.000 0.790 99 P CB 1.612 33.279 31.700 -0.055 0.000 0.951 100 S N -0.853 114.892 115.700 0.075 0.000 2.526 100 S HA -0.027 4.456 4.470 0.022 0.000 0.220 100 S C 1.677 176.423 174.600 0.243 0.000 1.017 100 S CA 0.521 58.801 58.200 0.133 0.000 0.930 100 S CB -0.824 62.415 63.200 0.064 0.000 0.856 100 S HN 0.493 nan 8.310 nan 0.000 0.497 101 S N 2.136 117.942 115.700 0.176 0.000 2.382 101 S HA -0.183 4.300 4.470 0.022 0.000 0.228 101 S C 1.589 176.255 174.600 0.110 0.000 1.027 101 S CA 1.347 59.619 58.200 0.119 0.000 0.991 101 S CB -1.001 62.110 63.200 -0.149 0.000 0.823 101 S HN 0.696 nan 8.310 nan 0.000 0.469 102 H N 0.088 119.225 119.070 0.111 0.000 2.319 102 H HA -0.018 4.551 4.556 0.021 0.000 0.299 102 H C 1.829 177.297 175.328 0.233 0.000 1.092 102 H CA 1.651 57.755 56.048 0.094 0.000 1.302 102 H CB -0.619 29.182 29.762 0.065 0.000 1.373 102 H HN 0.478 nan 8.280 nan 0.000 0.497 103 W N 1.465 122.934 121.300 0.282 0.000 2.354 103 W HA -0.187 4.486 4.660 0.021 0.000 0.315 103 W C 2.036 178.654 176.519 0.165 0.000 1.206 103 W CA 1.907 59.330 57.345 0.130 0.000 1.290 103 W CB -0.225 29.226 29.460 -0.014 0.000 1.152 103 W HN 0.142 nan 8.180 nan 0.000 0.489 104 S N -0.296 115.634 115.700 0.383 0.000 2.368 104 S HA -0.191 4.292 4.470 0.022 0.000 0.224 104 S C 1.482 176.138 174.600 0.093 0.000 1.029 104 S CA 1.398 59.737 58.200 0.233 0.000 0.988 104 S CB -0.795 62.524 63.200 0.199 0.000 0.838 104 S HN 0.229 nan 8.310 nan 0.000 0.462 105 Y N 1.762 122.059 120.300 -0.005 0.000 2.163 105 Y HA 0.048 4.612 4.550 0.024 0.000 0.288 105 Y C 2.123 177.963 175.900 -0.100 0.000 1.136 105 Y CA 0.788 58.850 58.100 -0.063 0.000 1.147 105 Y CB -0.509 37.882 38.460 -0.115 0.000 0.987 105 Y HN 0.140 nan 8.280 nan 0.000 0.509 106 L N -1.811 119.408 121.223 -0.006 0.000 2.046 106 L HA -0.276 4.077 4.340 0.022 0.000 0.208 106 L C 2.021 178.718 176.870 -0.288 0.000 1.077 106 L CA 1.401 56.139 54.840 -0.171 0.000 0.747 106 L CB -0.680 41.218 42.059 -0.268 0.000 0.896 106 L HN 0.231 nan 8.230 nan 0.000 0.432 107 Y N -0.742 119.423 120.300 -0.224 0.000 2.314 107 Y HA -0.213 4.350 4.550 0.022 0.000 0.293 107 Y C 3.044 178.838 175.900 -0.176 0.000 1.129 107 Y CA 1.385 59.327 58.100 -0.262 0.000 1.201 107 Y CB -0.554 37.675 38.460 -0.386 0.000 0.999 107 Y HN 0.136 nan 8.280 nan 0.000 0.541 108 S N 0.077 115.764 115.700 -0.021 0.000 2.368 108 S HA -0.195 4.289 4.470 0.022 0.000 0.225 108 S C 2.068 176.622 174.600 -0.077 0.000 1.030 108 S CA 1.563 59.720 58.200 -0.072 0.000 0.999 108 S CB -0.568 62.539 63.200 -0.155 0.000 0.844 108 S HN 0.420 nan 8.310 nan 0.000 0.459 109 I N 1.033 121.556 120.570 -0.080 0.000 2.208 109 I HA -0.182 4.001 4.170 0.022 0.000 0.245 109 I C 2.233 178.293 176.117 -0.094 0.000 1.097 109 I CA 1.385 62.636 61.300 -0.082 0.000 1.363 109 I CB -0.340 37.630 38.000 -0.051 0.000 1.051 109 I HN 0.342 nan 8.210 nan 0.000 0.413 110 I N -0.097 120.415 120.570 -0.096 0.000 2.226 110 I HA -0.304 3.879 4.170 0.022 0.000 0.245 110 I C 2.645 178.728 176.117 -0.056 0.000 1.100 110 I CA 1.142 62.390 61.300 -0.086 0.000 1.374 110 I CB -0.391 37.555 38.000 -0.091 0.000 1.057 110 I HN 0.303 nan 8.210 nan 0.000 0.413 111 Q N 0.527 120.305 119.800 -0.036 0.000 2.061 111 Q HA -0.201 4.152 4.340 0.022 0.000 0.204 111 Q C 1.987 177.958 176.000 -0.048 0.000 0.984 111 Q CA 1.522 57.304 55.803 -0.036 0.000 0.846 111 Q CB -0.588 28.130 28.738 -0.033 0.000 0.902 111 Q HN 0.574 nan 8.270 nan 0.000 0.421 112 N N -0.157 118.507 118.700 -0.060 0.000 2.244 112 N HA -0.092 4.661 4.740 0.022 0.000 0.183 112 N C 1.923 177.386 175.510 -0.077 0.000 1.016 112 N CA 0.885 53.897 53.050 -0.063 0.000 0.866 112 N CB -0.125 38.317 38.487 -0.076 0.000 0.980 112 N HN 0.249 nan 8.380 nan 0.000 0.430 113 C N 1.319 120.563 119.300 -0.094 0.000 2.429 113 C HA -0.009 4.465 4.460 0.022 0.000 0.277 113 C C 2.425 177.367 174.990 -0.080 0.000 1.262 113 C CA 0.222 59.178 59.018 -0.104 0.000 1.733 113 C CB -1.115 26.554 27.740 -0.119 0.000 2.010 113 C HN 0.457 nan 8.230 nan 0.000 0.483 114 N N 1.215 119.875 118.700 -0.066 0.000 2.120 114 N HA -0.101 4.652 4.740 0.022 0.000 0.188 114 N C 1.523 177.005 175.510 -0.047 0.000 1.024 114 N CA 0.939 53.957 53.050 -0.054 0.000 0.852 114 N CB -0.765 37.695 38.487 -0.044 0.000 1.003 114 N HN 0.420 nan 8.380 nan 0.000 0.424 115 L N 1.219 122.416 121.223 -0.042 0.000 2.042 115 L HA -0.054 4.299 4.340 0.022 0.000 0.210 115 L C 1.896 178.746 176.870 -0.034 0.000 1.076 115 L CA 1.367 56.188 54.840 -0.032 0.000 0.749 115 L CB -0.529 41.517 42.059 -0.022 0.000 0.893 115 L HN 0.114 nan 8.230 nan 0.000 0.432 116 I N -1.134 119.409 120.570 -0.045 0.000 2.202 116 I HA -0.228 3.955 4.170 0.022 0.000 0.242 116 I C 1.371 177.455 176.117 -0.055 0.000 1.091 116 I CA 0.483 61.753 61.300 -0.050 0.000 1.368 116 I CB -0.207 37.752 38.000 -0.069 0.000 1.058 116 I HN 0.142 nan 8.210 nan 0.000 0.410 120 V N 2.545 122.435 119.914 -0.040 0.000 2.392 120 V HA -0.163 3.970 4.120 0.022 0.000 0.249 120 V C 1.169 177.238 176.094 -0.042 0.000 1.059 120 V CA 2.238 64.509 62.300 -0.048 0.000 1.051 120 V CB -0.220 31.561 31.823 -0.069 0.000 0.658 120 V HN 0.165 nan 8.190 nan 0.000 0.455 121 D N -0.587 119.790 120.400 -0.039 0.000 2.347 121 D HA -0.045 4.609 4.640 0.022 0.000 0.215 121 D C 1.976 178.262 176.300 -0.024 0.000 0.976 121 D CA 0.677 54.657 54.000 -0.033 0.000 0.884 121 D CB 0.031 40.811 40.800 -0.033 0.000 0.915 121 D HN 0.538 nan 8.370 nan 0.000 0.526 122 K N -0.032 120.355 120.400 -0.022 0.000 2.356 122 K HA 0.156 4.489 4.320 0.022 0.000 0.195 122 K C 0.719 177.311 176.600 -0.013 0.000 1.037 122 K CA -0.036 56.241 56.287 -0.017 0.000 1.014 122 K CB 0.642 33.132 32.500 -0.017 0.000 0.815 122 K HN 0.036 nan 8.250 nan 0.000 0.507 123 L N 1.909 123.124 121.223 -0.014 0.000 2.410 123 L HA 0.040 4.394 4.340 0.022 0.000 0.273 123 L C 0.466 177.334 176.870 -0.003 0.000 1.144 123 L CA -0.254 54.582 54.840 -0.008 0.000 0.863 123 L CB 0.940 42.995 42.059 -0.007 0.000 1.140 123 L HN -0.006 nan 8.230 nan 0.000 0.463 124 S N 4.693 120.393 115.700 0.000 0.000 2.510 124 S HA 0.494 4.978 4.470 0.022 0.000 0.279 124 S C -0.280 174.326 174.600 0.010 0.000 1.284 124 S CA -0.520 57.682 58.200 0.003 0.000 1.059 124 S CB 0.013 63.215 63.200 0.002 0.000 0.901 124 S HN 0.457 nan 8.310 nan 0.000 0.491 125 I N 1.039 121.616 120.570 0.012 0.000 2.865 125 I HA 0.644 4.828 4.170 0.022 0.000 0.302 125 I C -0.965 175.164 176.117 0.020 0.000 1.140 125 I CA -1.140 60.173 61.300 0.022 0.000 1.021 125 I CB 1.892 39.909 38.000 0.029 0.000 1.233 125 I HN 0.264 nan 8.210 nan 0.000 0.427 126 D N 3.098 123.513 120.400 0.025 0.000 2.344 126 D HA 0.079 4.732 4.640 0.022 0.000 0.244 126 D C 0.756 177.070 176.300 0.024 0.000 1.134 126 D CA 0.037 54.049 54.000 0.021 0.000 0.930 126 D CB 1.578 42.390 40.800 0.020 0.000 1.175 126 D HN 0.756 nan 8.370 nan 0.000 0.437 127 E N 0.595 120.806 120.200 0.018 0.000 2.085 127 E HA -0.214 4.149 4.350 0.022 0.000 0.194 127 E C 0.937 177.551 176.600 0.024 0.000 0.994 127 E CA 1.492 57.902 56.400 0.018 0.000 0.801 127 E CB 0.045 29.753 29.700 0.013 0.000 0.743 127 E HN 0.498 nan 8.360 nan 0.000 0.453 128 D N -0.362 120.052 120.400 0.023 0.000 2.378 128 D HA -0.121 4.532 4.640 0.022 0.000 0.227 128 D C 0.741 177.067 176.300 0.043 0.000 1.012 128 D CA 0.531 54.547 54.000 0.026 0.000 0.905 128 D CB -0.229 40.581 40.800 0.016 0.000 0.895 128 D HN 0.349 nan 8.370 nan 0.000 0.532 129 E N -0.629 119.606 120.200 0.058 0.000 2.474 129 E HA 0.037 4.400 4.350 0.022 0.000 0.195 129 E C 1.088 177.755 176.600 0.112 0.000 1.039 129 E CA 0.123 56.588 56.400 0.109 0.000 0.881 129 E CB 0.258 30.027 29.700 0.114 0.000 0.970 129 E HN 0.235 nan 8.360 nan 0.000 0.486 130 T N 1.108 115.701 114.554 0.064 0.000 2.777 130 T HA -0.170 4.193 4.350 0.022 0.000 0.266 130 T C 1.782 176.503 174.700 0.034 0.000 1.040 130 T CA 1.163 63.284 62.100 0.036 0.000 1.141 130 T CB -0.028 68.851 68.868 0.019 0.000 0.868 130 T HN 0.217 nan 8.240 nan 0.000 0.444 131 E N -0.198 120.034 120.200 0.055 0.000 2.077 131 E HA -0.167 4.196 4.350 0.022 0.000 0.193 131 E C 1.975 178.622 176.600 0.078 0.000 0.989 131 E CA 0.908 57.339 56.400 0.050 0.000 0.800 131 E CB -0.195 29.540 29.700 0.057 0.000 0.746 131 E HN 0.557 nan 8.360 nan 0.000 0.452 132 Y N 1.801 122.094 120.300 -0.011 0.000 2.145 132 Y HA -0.242 4.321 4.550 0.022 0.000 0.286 132 Y C 2.172 178.064 175.900 -0.014 0.000 1.145 132 Y CA 1.999 60.093 58.100 -0.010 0.000 1.148 132 Y CB -0.249 38.211 38.460 -0.001 0.000 0.981 132 Y HN -0.128 nan 8.280 nan 0.000 0.507 133 K N 0.436 120.752 120.400 -0.141 0.000 2.026 133 K HA -0.216 4.117 4.320 0.022 0.000 0.208 133 K C 1.667 178.159 176.600 -0.179 0.000 1.048 133 K CA 1.814 57.969 56.287 -0.220 0.000 0.929 133 K CB -0.454 31.996 32.500 -0.083 0.000 0.713 133 K HN 0.374 nan 8.250 nan 0.000 0.439 134 N N 1.714 120.350 118.700 -0.107 0.000 2.104 134 N HA -0.186 4.567 4.740 0.022 0.000 0.190 134 N C 1.539 176.976 175.510 -0.122 0.000 1.024 134 N CA 1.743 54.736 53.050 -0.096 0.000 0.853 134 N CB -0.615 37.834 38.487 -0.063 0.000 1.008 134 N HN 0.410 nan 8.380 nan 0.000 0.424 135 D N 0.360 120.686 120.400 -0.124 0.000 2.117 135 D HA -0.035 4.618 4.640 0.022 0.000 0.198 135 D C 2.067 178.270 176.300 -0.162 0.000 0.982 135 D CA 0.632 54.556 54.000 -0.127 0.000 0.828 135 D CB -0.022 40.735 40.800 -0.073 0.000 0.967 135 D HN 0.150 nan 8.370 nan 0.000 0.464 136 L N 0.146 121.225 121.223 -0.241 0.000 2.046 136 L HA -0.155 4.198 4.340 0.022 0.000 0.208 136 L C 2.631 179.399 176.870 -0.170 0.000 1.077 136 L CA 1.262 55.963 54.840 -0.232 0.000 0.747 136 L CB -0.569 41.278 42.059 -0.353 0.000 0.896 136 L HN 0.089 nan 8.230 nan 0.000 0.432 137 K N 0.361 120.664 120.400 -0.162 0.000 2.026 137 K HA -0.161 4.173 4.320 0.022 0.000 0.208 137 K C 2.070 178.591 176.600 -0.132 0.000 1.048 137 K CA 1.527 57.735 56.287 -0.131 0.000 0.929 137 K CB -0.360 32.073 32.500 -0.113 0.000 0.713 137 K HN 0.316 nan 8.250 nan 0.000 0.439 138 G N 0.759 109.477 108.800 -0.138 0.000 2.442 138 G HA2 -0.284 3.689 3.960 0.022 0.000 0.219 138 G HA3 -0.284 3.689 3.960 0.022 0.000 0.219 138 G C 1.319 176.121 174.900 -0.165 0.000 1.141 138 G CA 0.721 45.732 45.100 -0.148 0.000 0.763 138 G HN 0.438 nan 8.290 nan 0.000 0.554 139 Q N 0.153 119.859 119.800 -0.156 0.000 2.084 139 Q HA -0.026 4.328 4.340 0.022 0.000 0.202 139 Q C 3.039 178.927 176.000 -0.186 0.000 0.978 139 Q CA 1.244 56.951 55.803 -0.160 0.000 0.844 139 Q CB -0.276 28.406 28.738 -0.092 0.000 0.898 139 Q HN 0.488 nan 8.270 nan 0.000 0.426 140 A N 0.852 123.573 122.820 -0.165 0.000 1.902 140 A HA -0.158 4.176 4.320 0.022 0.000 0.217 140 A C 2.074 179.562 177.584 -0.159 0.000 1.181 140 A CA 1.105 53.044 52.037 -0.164 0.000 0.623 140 A CB -0.634 18.286 19.000 -0.133 0.000 0.818 140 A HN 0.270 nan 8.150 nan 0.000 0.443 141 L N -0.889 120.244 121.223 -0.150 0.000 2.027 141 L HA -0.160 4.193 4.340 0.022 0.000 0.206 141 L C 3.112 179.881 176.870 -0.170 0.000 1.074 141 L CA 1.052 55.804 54.840 -0.146 0.000 0.745 141 L CB -0.500 41.479 42.059 -0.133 0.000 0.898 141 L HN 0.428 nan 8.230 nan 0.000 0.433 142 A N 0.146 122.851 122.820 -0.192 0.000 1.902 142 A HA -0.174 4.160 4.320 0.022 0.000 0.217 142 A C 2.206 179.655 177.584 -0.225 0.000 1.181 142 A CA 1.533 53.438 52.037 -0.220 0.000 0.623 142 A CB -0.650 18.199 19.000 -0.251 0.000 0.818 142 A HN 0.364 nan 8.150 nan 0.000 0.443 143 I N -1.289 119.142 120.570 -0.230 0.000 2.252 143 I HA -0.201 3.982 4.170 0.022 0.000 0.245 143 I C 2.692 178.708 176.117 -0.167 0.000 1.102 143 I CA 1.474 62.641 61.300 -0.221 0.000 1.385 143 I CB -0.287 37.551 38.000 -0.270 0.000 1.064 143 I HN 0.350 nan 8.210 nan 0.000 0.414 144 R N 1.285 121.688 120.500 -0.162 0.000 2.096 144 R HA -0.066 4.287 4.340 0.022 0.000 0.235 144 R C 1.449 177.663 176.300 -0.144 0.000 1.127 144 R CA 1.077 57.091 56.100 -0.142 0.000 0.968 144 R CB -0.407 29.816 30.300 -0.128 0.000 0.861 144 R HN 0.380 nan 8.270 nan 0.000 0.440 148 L N -0.130 120.995 121.223 -0.163 0.000 2.093 148 L HA 0.133 4.487 4.340 0.022 0.000 0.208 148 L C 1.940 178.725 176.870 -0.143 0.000 1.085 148 L CA 2.620 57.345 54.840 -0.192 0.000 0.755 148 L CB -0.882 41.080 42.059 -0.161 0.000 0.904 148 L HN 0.515 nan 8.230 nan 0.000 0.435 149 F N 0.509 120.290 119.950 -0.281 0.000 2.075 149 F HA -0.235 4.306 4.527 0.023 0.000 0.297 149 F C 2.278 177.922 175.800 -0.260 0.000 1.113 149 F CA 2.021 59.813 58.000 -0.346 0.000 1.218 149 F CB -0.542 38.223 39.000 -0.391 0.000 0.984 149 F HN 0.189 nan 8.300 nan 0.000 0.472 150 D N 0.529 120.766 120.400 -0.272 0.000 2.123 150 D HA -0.187 4.466 4.640 0.022 0.000 0.196 150 D C 2.496 178.657 176.300 -0.232 0.000 0.992 150 D CA 1.599 55.411 54.000 -0.313 0.000 0.833 150 D CB -0.497 40.250 40.800 -0.088 0.000 0.954 150 D HN 0.334 nan 8.370 nan 0.000 0.455 151 L N 0.579 121.706 121.223 -0.159 0.000 2.079 151 L HA -0.177 4.176 4.340 0.022 0.000 0.210 151 L C 2.524 179.436 176.870 0.070 0.000 1.081 151 L CA 1.124 55.956 54.840 -0.013 0.000 0.752 151 L CB -0.474 41.432 42.059 -0.255 0.000 0.896 151 L HN 0.025 nan 8.230 nan 0.000 0.433 152 T N -0.598 113.907 114.554 -0.081 0.000 2.812 152 T HA -0.135 4.228 4.350 0.022 0.000 0.264 152 T C 1.856 176.553 174.700 -0.005 0.000 1.042 152 T CA 1.353 63.450 62.100 -0.006 0.000 1.140 152 T CB -0.134 68.709 68.868 -0.042 0.000 0.870 152 T HN 0.462 nan 8.240 nan 0.000 0.445 153 R N 0.738 121.112 120.500 -0.210 0.000 2.200 153 R HA 0.215 4.568 4.340 0.022 0.000 0.208 153 R C 2.109 178.435 176.300 0.044 0.000 1.033 153 R CA 0.828 56.848 56.100 -0.133 0.000 1.000 153 R CB -0.564 29.402 30.300 -0.557 0.000 0.906 153 R HN 0.315 nan 8.270 nan 0.000 0.462 154 I N 0.138 120.637 120.570 -0.119 0.000 2.333 154 I HA -0.085 4.098 4.170 0.022 0.000 0.246 154 I C 1.111 176.936 176.117 -0.486 0.000 1.106 154 I CA 1.163 62.231 61.300 -0.387 0.000 1.411 154 I CB 0.069 37.587 38.000 -0.804 0.000 1.082 154 I HN 0.059 nan 8.210 nan 0.000 0.420 155 F N 0.244 120.179 119.950 -0.025 0.000 2.695 155 F HA 0.357 4.898 4.527 0.024 0.000 0.303 155 F C 1.064 176.848 175.800 -0.027 0.000 1.091 155 F CA -0.290 57.708 58.000 -0.003 0.000 1.300 155 F CB 0.339 39.406 39.000 0.111 0.000 1.071 155 F HN -0.137 nan 8.300 nan 0.000 0.578 156 G N -1.302 107.565 108.800 0.112 0.000 2.591 156 G HA2 0.431 4.405 3.960 0.022 0.000 0.306 156 G HA3 0.431 4.405 3.960 0.022 0.000 0.306 156 G C -1.523 173.414 174.900 0.061 0.000 1.334 156 G CA -0.540 44.599 45.100 0.064 0.000 0.981 156 G HN -0.158 nan 8.290 nan 0.000 0.491 157 Y N 1.788 122.177 120.300 0.149 0.000 2.683 157 Y HA 0.173 4.736 4.550 0.022 0.000 0.340 157 Y C -1.171 174.818 175.900 0.149 0.000 1.245 157 Y CA -1.166 57.010 58.100 0.127 0.000 1.485 157 Y CB 0.280 38.752 38.460 0.020 0.000 1.328 157 Y HN 0.301 nan 8.280 nan 0.000 0.603 158 P HA -0.134 nan 4.420 nan 0.000 0.266 158 P C 0.361 177.788 177.300 0.213 0.000 1.195 158 P CA 0.215 63.534 63.100 0.366 0.000 0.768 158 P CB 0.512 32.480 31.700 0.447 0.000 0.838 159 Y N 3.754 124.121 120.300 0.111 0.000 2.102 159 Y HA -0.251 4.312 4.550 0.022 0.000 0.280 159 Y C 2.049 177.893 175.900 -0.094 0.000 1.178 159 Y CA 1.877 59.921 58.100 -0.093 0.000 1.146 159 Y CB -0.649 37.545 38.460 -0.443 0.000 0.968 159 Y HN 0.203 nan 8.280 nan 0.000 0.504 160 L N 0.279 121.605 121.223 0.171 0.000 2.551 160 L HA -0.130 4.224 4.340 0.022 0.000 0.228 160 L C 2.418 179.139 176.870 -0.249 0.000 1.153 160 L CA 0.884 55.795 54.840 0.119 0.000 0.851 160 L CB -0.479 41.789 42.059 0.348 0.000 0.959 160 L HN 0.203 nan 8.230 nan 0.000 0.451 161 K N 1.152 121.129 120.400 -0.706 0.000 2.063 161 K HA -0.207 4.127 4.320 0.022 0.000 0.208 161 K C 0.362 176.532 176.600 -0.717 0.000 1.048 161 K CA 1.997 57.407 56.287 -1.462 0.000 0.928 161 K CB 0.172 31.893 32.500 -1.299 0.000 0.713 161 K HN 0.451 nan 8.250 nan 0.000 0.442 162 D N -1.915 118.197 120.400 -0.481 0.000 2.848 162 D HA 0.043 4.697 4.640 0.022 0.000 0.303 162 D C -0.905 175.175 176.300 -0.366 0.000 1.665 162 D CA -0.492 53.303 54.000 -0.343 0.000 0.807 162 D CB -0.676 39.950 40.800 -0.290 0.000 1.288 162 D HN 0.049 nan 8.370 nan 0.000 0.441 163 N N 1.273 119.670 118.700 -0.506 0.000 2.714 163 N HA -0.125 4.628 4.740 0.022 0.000 0.252 163 N C 1.209 176.054 175.510 -1.108 0.000 1.014 163 N CA 1.506 54.042 53.050 -0.857 0.000 0.735 163 N CB -1.471 36.824 38.487 -0.320 0.000 0.924 163 N HN 0.864 nan 8.380 nan 0.000 0.540 164 G N -1.762 106.394 108.800 -1.073 0.000 2.179 164 G HA2 -0.264 3.709 3.960 0.022 0.000 0.257 164 G HA3 -0.264 3.709 3.960 0.022 0.000 0.257 164 G C 1.099 175.882 174.900 -0.195 0.000 1.010 164 G CA 0.952 45.741 45.100 -0.518 0.000 0.736 164 G HN 1.031 nan 8.290 nan 0.000 0.513 165 A N -0.488 122.215 122.820 -0.195 0.000 2.066 165 A HA 0.521 4.854 4.320 0.022 0.000 0.218 165 A C 1.886 179.454 177.584 -0.027 0.000 1.157 165 A CA 1.733 53.716 52.037 -0.091 0.000 0.670 165 A CB -0.066 18.875 19.000 -0.098 0.000 0.804 165 A HN 0.881 nan 8.150 nan 0.000 0.453 166 S N -0.654 115.041 115.700 -0.008 0.000 2.596 166 S HA 0.405 4.888 4.470 0.022 0.000 0.260 166 S C 0.150 174.806 174.600 0.095 0.000 1.336 166 S CA -0.414 57.835 58.200 0.082 0.000 0.993 166 S CB 0.311 63.626 63.200 0.192 0.000 0.923 166 S HN 0.378 nan 8.310 nan 0.000 0.567 167 L N 1.731 123.020 121.223 0.110 0.000 2.367 167 L HA 0.342 4.696 4.340 0.022 0.000 0.275 167 L C 1.270 178.214 176.870 0.124 0.000 1.129 167 L CA -0.356 54.546 54.840 0.103 0.000 0.839 167 L CB 0.207 42.321 42.059 0.092 0.000 1.133 167 L HN 0.828 nan 8.230 nan 0.000 0.453 168 G N 2.914 111.794 108.800 0.134 0.000 3.411 168 G HA2 0.530 4.503 3.960 0.022 0.000 0.186 168 G HA3 0.530 4.503 3.960 0.022 0.000 0.186 168 G C -0.105 174.893 174.900 0.163 0.000 1.766 168 G CA 0.328 45.521 45.100 0.154 0.000 0.971 168 G HN 0.504 nan 8.290 nan 0.000 0.590 169 V N -3.515 116.481 119.914 0.137 0.000 3.158 169 V HA 0.715 4.848 4.120 0.022 0.000 0.311 169 V C -2.983 173.181 176.094 0.116 0.000 1.181 169 V CA -2.654 59.738 62.300 0.153 0.000 1.054 169 V CB 1.644 33.506 31.823 0.065 0.000 1.085 169 V HN 0.332 nan 8.190 nan 0.000 0.446 170 P HA 0.366 nan 4.420 nan 0.000 0.267 170 P C -0.457 176.886 177.300 0.072 0.000 1.205 170 P CA 0.280 63.414 63.100 0.057 0.000 0.765 170 P CB 0.178 31.861 31.700 -0.028 0.000 0.828 171 I N 3.670 124.265 120.570 0.041 0.000 2.379 171 I HA 0.105 4.288 4.170 0.022 0.000 0.290 171 I C -0.072 176.055 176.117 0.017 0.000 1.063 171 I CA -0.084 61.234 61.300 0.030 0.000 1.351 171 I CB 0.563 38.572 38.000 0.016 0.000 1.410 171 I HN -0.003 nan 8.210 nan 0.000 0.505 172 V N 7.582 127.515 119.914 0.033 0.000 2.376 172 V HA 0.262 4.395 4.120 0.022 0.000 0.287 172 V C 0.436 176.527 176.094 -0.006 0.000 1.015 172 V CA -0.584 61.719 62.300 0.005 0.000 0.834 172 V CB 1.319 33.143 31.823 0.002 0.000 1.001 172 V HN 0.716 nan 8.190 nan 0.000 0.428 173 K N 2.304 122.692 120.400 -0.021 0.000 2.402 173 K HA 0.376 4.709 4.320 0.022 0.000 0.204 173 K C 0.349 176.930 176.600 -0.032 0.000 1.056 173 K CA -0.006 56.263 56.287 -0.029 0.000 1.069 173 K CB 1.110 33.592 32.500 -0.030 0.000 0.888 173 K HN 0.693 nan 8.250 nan 0.000 0.546 174 E N 0.296 120.478 120.200 -0.030 0.000 2.493 174 E HA 0.400 4.763 4.350 0.022 0.000 0.243 174 E C -0.748 175.832 176.600 -0.033 0.000 0.875 174 E CA -0.939 55.442 56.400 -0.031 0.000 0.872 174 E CB 1.366 31.048 29.700 -0.029 0.000 1.476 174 E HN -0.086 nan 8.360 nan 0.000 0.394 175 L N 1.519 122.723 121.223 -0.032 0.000 2.275 175 L HA 0.298 4.651 4.340 0.022 0.000 0.288 175 L C -0.071 176.776 176.870 -0.038 0.000 1.046 175 L CA -0.458 54.362 54.840 -0.034 0.000 0.805 175 L CB 1.368 43.410 42.059 -0.029 0.000 1.193 175 L HN 0.356 nan 8.230 nan 0.000 0.426 176 S N 1.500 117.173 115.700 -0.046 0.000 2.585 176 S HA 0.413 4.896 4.470 0.022 0.000 0.273 176 S C 0.359 174.933 174.600 -0.043 0.000 1.339 176 S CA -0.504 57.663 58.200 -0.054 0.000 1.028 176 S CB 1.218 64.374 63.200 -0.073 0.000 0.906 176 S HN 0.792 nan 8.310 nan 0.000 0.528 177 T N -1.742 112.787 114.554 -0.041 0.000 2.716 177 T HA 0.472 4.835 4.350 0.022 0.000 0.286 177 T C 1.221 175.899 174.700 -0.035 0.000 1.052 177 T CA -0.834 61.246 62.100 -0.034 0.000 1.024 177 T CB 0.253 69.104 68.868 -0.029 0.000 1.349 177 T HN 0.499 nan 8.240 nan 0.000 0.525 178 I N -1.723 118.829 120.570 -0.029 0.000 2.916 178 I HA 0.123 4.306 4.170 0.022 0.000 0.267 178 I C 1.537 177.637 176.117 -0.029 0.000 1.263 178 I CA 1.454 62.737 61.300 -0.028 0.000 1.471 178 I CB -0.506 37.480 38.000 -0.024 0.000 1.089 178 I HN 0.561 nan 8.210 nan 0.000 0.468 179 D N 1.290 121.673 120.400 -0.028 0.000 2.347 179 D HA 0.008 4.661 4.640 0.022 0.000 0.213 179 D C 0.495 176.776 176.300 -0.032 0.000 0.985 179 D CA 0.295 54.279 54.000 -0.027 0.000 0.879 179 D CB 0.195 40.981 40.800 -0.024 0.000 0.919 179 D HN 0.329 nan 8.370 nan 0.000 0.526 180 S N 1.063 116.739 115.700 -0.039 0.000 2.455 180 S HA 0.224 4.708 4.470 0.022 0.000 0.278 180 S C 0.053 174.623 174.600 -0.050 0.000 1.216 180 S CA -0.308 57.864 58.200 -0.047 0.000 1.055 180 S CB 0.780 63.944 63.200 -0.060 0.000 0.939 180 S HN 0.027 nan 8.310 nan 0.000 0.494 181 K N 3.537 123.911 120.400 -0.043 0.000 3.146 181 K HA 0.263 4.596 4.320 0.022 0.000 0.168 181 K C -2.867 173.712 176.600 -0.035 0.000 1.075 181 K CA -1.608 54.655 56.287 -0.039 0.000 0.843 181 K CB 0.841 33.322 32.500 -0.032 0.000 1.002 181 K HN 0.391 nan 8.250 nan 0.000 0.597 182 P HA 0.173 nan 4.420 nan 0.000 0.275 182 P C -0.235 177.059 177.300 -0.011 0.000 1.227 182 P CA -0.278 62.803 63.100 -0.031 0.000 0.781 182 P CB 1.100 32.770 31.700 -0.051 0.000 0.906 183 A N 4.147 126.967 122.820 0.000 0.000 2.287 183 A HA 0.322 4.656 4.320 0.022 0.000 0.273 183 A C 0.415 178.020 177.584 0.035 0.000 1.091 183 A CA -0.642 51.404 52.037 0.015 0.000 0.817 183 A CB 0.107 19.114 19.000 0.012 0.000 1.069 183 A HN 0.485 nan 8.150 nan 0.000 0.492 184 R N 1.114 121.646 120.500 0.053 0.000 2.489 184 R HA 0.084 4.437 4.340 0.022 0.000 0.287 184 R C -0.466 175.873 176.300 0.064 0.000 1.053 184 R CA 0.126 56.274 56.100 0.079 0.000 1.036 184 R CB 0.106 30.463 30.300 0.094 0.000 0.966 184 R HN 0.784 nan 8.270 nan 0.000 0.432 185 N N 0.165 118.907 118.700 0.069 0.000 2.381 185 N HA 0.061 4.815 4.740 0.022 0.000 0.254 185 N C -0.163 175.397 175.510 0.083 0.000 1.264 185 N CA -0.147 52.943 53.050 0.066 0.000 0.942 185 N CB 0.666 39.190 38.487 0.062 0.000 1.190 185 N HN 0.545 nan 8.380 nan 0.000 0.495 186 T N -2.278 112.325 114.554 0.082 0.000 2.860 186 T HA 0.105 4.468 4.350 0.022 0.000 0.299 186 T C 1.418 176.200 174.700 0.137 0.000 1.045 186 T CA -0.864 61.291 62.100 0.092 0.000 1.071 186 T CB 0.605 69.514 68.868 0.068 0.000 0.985 186 T HN 0.121 nan 8.240 nan 0.000 0.537 187 V N 2.206 122.217 119.914 0.161 0.000 2.324 187 V HA -0.219 3.914 4.120 0.022 0.000 0.250 187 V C 3.093 179.413 176.094 0.376 0.000 1.060 187 V CA 2.465 64.927 62.300 0.270 0.000 1.042 187 V CB -1.722 30.255 31.823 0.256 0.000 0.650 187 V HN 1.104 nan 8.190 nan 0.000 0.450 188 A N -0.425 122.542 122.820 0.245 0.000 1.883 188 A HA -0.286 4.048 4.320 0.022 0.000 0.217 188 A C 2.171 179.916 177.584 0.268 0.000 1.186 188 A CA 2.103 54.326 52.037 0.311 0.000 0.624 188 A CB -0.540 18.558 19.000 0.163 0.000 0.822 188 A HN 0.647 nan 8.150 nan 0.000 0.444 189 E N -0.870 119.437 120.200 0.178 0.000 2.077 189 E HA -0.197 4.167 4.350 0.022 0.000 0.193 189 E C 2.088 178.765 176.600 0.129 0.000 0.989 189 E CA 1.361 57.838 56.400 0.129 0.000 0.800 189 E CB -0.400 29.353 29.700 0.088 0.000 0.746 189 E HN 0.711 nan 8.360 nan 0.000 0.452 190 C N 0.133 119.526 119.300 0.155 0.000 2.446 190 C HA -0.124 4.350 4.460 0.022 0.000 0.277 190 C C 2.394 177.427 174.990 0.073 0.000 1.275 190 C CA 0.333 59.407 59.018 0.093 0.000 1.727 190 C CB -0.991 26.797 27.740 0.081 0.000 2.010 190 C HN 0.441 nan 8.230 nan 0.000 0.486 191 Y N 1.600 121.950 120.300 0.083 0.000 2.165 191 Y HA -0.221 4.342 4.550 0.022 0.000 0.286 191 Y C 2.801 178.688 175.900 -0.022 0.000 1.155 191 Y CA 2.187 60.307 58.100 0.033 0.000 1.164 191 Y CB -1.082 37.404 38.460 0.043 0.000 0.978 191 Y HN 0.295 nan 8.280 nan 0.000 0.513 192 T N -0.166 114.484 114.554 0.159 0.000 2.699 192 T HA -0.201 4.162 4.350 0.022 0.000 0.268 192 T C 1.664 176.370 174.700 0.009 0.000 1.036 192 T CA 1.707 63.852 62.100 0.075 0.000 1.147 192 T CB -0.170 68.745 68.868 0.078 0.000 0.862 192 T HN 0.322 nan 8.240 nan 0.000 0.446 193 E N 0.658 120.855 120.200 -0.004 0.000 2.107 193 E HA 0.040 4.403 4.350 0.022 0.000 0.191 193 E C 2.311 178.853 176.600 -0.096 0.000 0.982 193 E CA 0.608 56.982 56.400 -0.044 0.000 0.809 193 E CB -0.382 29.295 29.700 -0.038 0.000 0.756 193 E HN 0.519 nan 8.360 nan 0.000 0.459 194 I N 0.954 121.443 120.570 -0.134 0.000 2.179 194 I HA -0.261 3.922 4.170 0.022 0.000 0.242 194 I C 2.439 178.408 176.117 -0.246 0.000 1.088 194 I CA 1.024 62.195 61.300 -0.216 0.000 1.357 194 I CB -0.234 37.576 38.000 -0.316 0.000 1.051 194 I HN 0.018 nan 8.210 nan 0.000 0.409 195 I N -0.374 120.061 120.570 -0.225 0.000 2.252 195 I HA -0.294 3.889 4.170 0.022 0.000 0.245 195 I C 2.775 178.794 176.117 -0.163 0.000 1.102 195 I CA 1.302 62.447 61.300 -0.258 0.000 1.385 195 I CB -0.346 37.526 38.000 -0.213 0.000 1.064 195 I HN 0.203 nan 8.210 nan 0.000 0.414 196 S N 0.654 116.293 115.700 -0.102 0.000 2.359 196 S HA -0.241 4.243 4.470 0.022 0.000 0.224 196 S C 1.744 176.287 174.600 -0.095 0.000 1.035 196 S CA 2.038 60.195 58.200 -0.073 0.000 1.018 196 S CB -0.276 62.894 63.200 -0.050 0.000 0.876 196 S HN 0.362 nan 8.310 nan 0.000 0.448 197 D N 0.996 121.325 120.400 -0.117 0.000 2.084 197 D HA -0.016 4.637 4.640 0.022 0.000 0.196 197 D C 2.027 178.238 176.300 -0.148 0.000 0.985 197 D CA 0.983 54.907 54.000 -0.126 0.000 0.826 197 D CB -0.504 40.214 40.800 -0.137 0.000 0.978 197 D HN 0.360 nan 8.370 nan 0.000 0.456 198 L N 0.492 121.604 121.223 -0.185 0.000 2.056 198 L HA -0.148 4.206 4.340 0.022 0.000 0.207 198 L C 2.451 179.222 176.870 -0.166 0.000 1.078 198 L CA 1.076 55.792 54.840 -0.207 0.000 0.749 198 L CB -0.213 41.677 42.059 -0.281 0.000 0.901 198 L HN 0.003 nan 8.230 nan 0.000 0.433 199 K N 0.155 120.471 120.400 -0.140 0.000 2.026 199 K HA -0.238 4.096 4.320 0.022 0.000 0.208 199 K C 2.051 178.607 176.600 -0.073 0.000 1.048 199 K CA 1.685 57.926 56.287 -0.077 0.000 0.929 199 K CB -0.089 32.395 32.500 -0.026 0.000 0.713 199 K HN 0.125 nan 8.250 nan 0.000 0.439 200 N N 0.757 119.409 118.700 -0.079 0.000 2.104 200 N HA -0.177 4.576 4.740 0.022 0.000 0.190 200 N C 1.743 177.195 175.510 -0.097 0.000 1.024 200 N CA 1.931 54.935 53.050 -0.076 0.000 0.853 200 N CB -0.376 38.066 38.487 -0.074 0.000 1.008 200 N HN 0.335 nan 8.380 nan 0.000 0.424 201 S N -0.931 114.696 115.700 -0.122 0.000 2.383 201 S HA -0.172 4.311 4.470 0.022 0.000 0.229 201 S C 1.988 176.494 174.600 -0.157 0.000 1.030 201 S CA 2.060 60.173 58.200 -0.146 0.000 1.002 201 S CB -1.370 61.727 63.200 -0.172 0.000 0.829 201 S HN 0.560 nan 8.310 nan 0.000 0.467 202 T N -0.871 113.599 114.554 -0.140 0.000 3.007 202 T HA 0.088 4.452 4.350 0.022 0.000 0.270 202 T C 1.355 175.980 174.700 -0.126 0.000 1.107 202 T CA 1.171 63.184 62.100 -0.144 0.000 1.118 202 T CB -0.456 68.357 68.868 -0.091 0.000 0.889 202 T HN 0.640 nan 8.240 nan 0.000 0.506 203 E N 0.051 120.191 120.200 -0.099 0.000 2.447 203 E HA 0.326 4.690 4.350 0.022 0.000 0.195 203 E C 1.669 178.216 176.600 -0.088 0.000 1.028 203 E CA 0.098 56.452 56.400 -0.077 0.000 0.876 203 E CB 0.173 29.842 29.700 -0.053 0.000 0.885 203 E HN 0.468 nan 8.360 nan 0.000 0.500 204 L N -0.108 121.049 121.223 -0.111 0.000 2.547 204 L HA 0.220 4.573 4.340 0.022 0.000 0.218 204 L C 0.499 177.290 176.870 -0.131 0.000 1.048 204 L CA -0.144 54.631 54.840 -0.108 0.000 0.859 204 L CB 0.313 42.309 42.059 -0.105 0.000 1.128 204 L HN 0.019 nan 8.230 nan 0.000 0.483 205 L N 0.740 121.858 121.223 -0.175 0.000 2.485 205 L HA 0.014 4.368 4.340 0.022 0.000 0.275 205 L C 0.940 177.677 176.870 -0.221 0.000 1.207 205 L CA 0.166 54.882 54.840 -0.207 0.000 0.855 205 L CB 0.779 42.675 42.059 -0.271 0.000 1.114 205 L HN 0.062 nan 8.230 nan 0.000 0.485 206 S N 1.638 117.236 115.700 -0.171 0.000 2.568 206 S HA 0.129 4.613 4.470 0.022 0.000 0.282 206 S C 1.178 175.610 174.600 -0.281 0.000 1.338 206 S CA -0.088 58.023 58.200 -0.148 0.000 1.045 206 S CB 1.129 64.298 63.200 -0.051 0.000 0.873 206 S HN 0.784 nan 8.310 nan 0.000 0.516 207 G N 2.686 111.338 108.800 -0.247 0.000 2.920 207 G HA2 0.089 4.063 3.960 0.022 0.000 0.208 207 G HA3 0.089 4.063 3.960 0.022 0.000 0.208 207 G C -0.023 175.005 174.900 0.212 0.000 1.159 207 G CA -0.227 44.707 45.100 -0.276 0.000 0.784 207 G HN 0.674 nan 8.290 nan 0.000 0.535 208 D N -0.209 120.276 120.400 0.141 0.000 2.382 208 D HA 0.136 4.789 4.640 0.022 0.000 0.240 208 D C 0.085 176.546 176.300 0.269 0.000 1.146 208 D CA -0.594 53.543 54.000 0.228 0.000 0.897 208 D CB 0.882 41.775 40.800 0.155 0.000 1.197 208 D HN 0.055 nan 8.370 nan 0.000 0.432 209 F N 1.837 121.898 119.950 0.184 0.000 2.607 209 F HA 0.064 4.604 4.527 0.022 0.000 0.374 209 F C 0.426 176.293 175.800 0.110 0.000 1.104 209 F CA 0.281 58.383 58.000 0.170 0.000 1.296 209 F CB 0.283 39.295 39.000 0.020 0.000 1.085 209 F HN 0.075 nan 8.300 nan 0.000 0.584 210 N N 4.693 123.108 118.700 -0.474 0.000 2.664 210 N HA 0.099 4.853 4.740 0.022 0.000 0.268 210 N C -1.658 173.609 175.510 -0.407 0.000 1.222 210 N CA -0.767 52.130 53.050 -0.256 0.000 0.805 210 N CB 0.690 39.104 38.487 -0.122 0.000 1.399 210 N HN 0.435 nan 8.380 nan 0.000 0.547 211 K N 1.739 121.969 120.400 -0.284 0.000 2.430 211 K HA 0.332 4.666 4.320 0.022 0.000 0.280 211 K C 1.141 177.655 176.600 -0.144 0.000 1.063 211 K CA 1.552 57.742 56.287 -0.163 0.000 1.071 211 K CB -0.463 32.110 32.500 0.121 0.000 0.899 211 K HN 0.671 nan 8.250 nan 0.000 0.473 212 G N 3.201 111.922 108.800 -0.132 0.000 2.153 212 G HA2 -0.295 3.678 3.960 0.022 0.000 0.252 212 G HA3 -0.295 3.678 3.960 0.022 0.000 0.252 212 G C -0.332 174.430 174.900 -0.231 0.000 0.994 212 G CA 0.700 45.717 45.100 -0.140 0.000 0.698 212 G HN 0.566 nan 8.290 nan 0.000 0.521 213 K N -0.818 119.482 120.400 -0.167 0.000 2.443 213 K HA 0.634 4.967 4.320 0.022 0.000 0.251 213 K C -0.046 176.453 176.600 -0.169 0.000 0.972 213 K CA -1.040 55.035 56.287 -0.353 0.000 0.833 213 K CB 2.731 35.006 32.500 -0.376 0.000 1.317 213 K HN 0.022 nan 8.250 nan 0.000 0.441 214 V N 2.889 122.582 119.914 -0.368 0.000 2.614 214 V HA 0.083 4.216 4.120 0.022 0.000 0.291 214 V C 0.163 176.084 176.094 -0.288 0.000 1.049 214 V CA -0.326 61.652 62.300 -0.535 0.000 1.038 214 V CB 0.530 31.981 31.823 -0.620 0.000 0.980 214 V HN 0.896 nan 8.190 nan 0.000 0.481 215 N N 3.991 122.528 118.700 -0.273 0.000 2.966 215 N HA 0.348 5.101 4.740 0.022 0.000 0.314 215 N C 0.750 176.018 175.510 -0.403 0.000 1.397 215 N CA -1.044 51.830 53.050 -0.292 0.000 0.776 215 N CB 1.042 39.395 38.487 -0.224 0.000 1.576 215 N HN 0.320 nan 8.380 nan 0.000 0.592 216 R N -0.501 119.619 120.500 -0.634 0.000 2.091 216 R HA -0.052 4.302 4.340 0.022 0.000 0.238 216 R C 1.174 177.127 176.300 -0.579 0.000 1.136 216 R CA 2.027 57.672 56.100 -0.758 0.000 0.959 216 R CB -0.271 29.297 30.300 -1.221 0.000 0.856 216 R HN 0.740 nan 8.270 nan 0.000 0.437 217 W N -0.271 120.961 121.300 -0.114 0.000 2.418 217 W HA 0.085 4.758 4.660 0.022 0.000 0.292 217 W C 2.406 178.826 176.519 -0.165 0.000 1.213 217 W CA 0.167 57.423 57.345 -0.147 0.000 1.283 217 W CB -0.225 29.112 29.460 -0.206 0.000 1.119 217 W HN 0.167 nan 8.180 nan 0.000 0.542 218 A N 1.245 124.036 122.820 -0.048 0.000 1.902 218 A HA 0.115 4.449 4.320 0.022 0.000 0.217 218 A C 1.695 179.217 177.584 -0.104 0.000 1.181 218 A CA 1.419 53.416 52.037 -0.067 0.000 0.623 218 A CB -1.270 17.679 19.000 -0.085 0.000 0.818 218 A HN 0.139 nan 8.150 nan 0.000 0.443 222 L N 2.421 123.597 121.223 -0.078 0.000 2.012 222 L HA 0.172 4.525 4.340 0.022 0.000 0.210 222 L C 2.123 178.831 176.870 -0.270 0.000 1.073 222 L CA 1.831 56.578 54.840 -0.156 0.000 0.748 222 L CB -0.813 41.136 42.059 -0.183 0.000 0.891 222 L HN 0.356 nan 8.230 nan 0.000 0.431 223 L N -0.443 120.630 121.223 -0.250 0.000 2.042 223 L HA -0.203 4.151 4.340 0.022 0.000 0.210 223 L C 2.792 179.531 176.870 -0.219 0.000 1.076 223 L CA 2.209 56.847 54.840 -0.337 0.000 0.749 223 L CB -1.093 40.807 42.059 -0.265 0.000 0.893 223 L HN 0.632 nan 8.230 nan 0.000 0.432 224 S N -0.760 114.923 115.700 -0.029 0.000 2.383 224 S HA -0.290 4.193 4.470 0.022 0.000 0.229 224 S C 2.237 176.888 174.600 0.085 0.000 1.030 224 S CA 1.254 59.516 58.200 0.103 0.000 1.002 224 S CB -0.759 62.480 63.200 0.065 0.000 0.829 224 S HN 0.598 nan 8.310 nan 0.000 0.467 225 R N 0.802 121.302 120.500 -0.001 0.000 2.073 225 R HA -0.050 4.304 4.340 0.022 0.000 0.234 225 R C 2.162 178.435 176.300 -0.045 0.000 1.134 225 R CA 1.756 57.886 56.100 0.050 0.000 0.952 225 R CB -0.652 29.663 30.300 0.024 0.000 0.850 225 R HN 0.425 nan 8.270 nan 0.000 0.433 226 V N 0.484 120.147 119.914 -0.418 0.000 2.343 226 V HA -0.252 3.881 4.120 0.022 0.000 0.247 226 V C 2.034 178.080 176.094 -0.080 0.000 1.051 226 V CA 1.642 63.609 62.300 -0.555 0.000 1.036 226 V CB -0.712 30.574 31.823 -0.895 0.000 0.654 226 V HN 0.313 nan 8.190 nan 0.000 0.451 227 Y N 0.102 120.355 120.300 -0.079 0.000 2.114 227 Y HA -0.218 4.345 4.550 0.022 0.000 0.282 227 Y C 2.321 178.171 175.900 -0.084 0.000 1.165 227 Y CA 1.256 59.308 58.100 -0.080 0.000 1.148 227 Y CB -0.836 37.572 38.460 -0.086 0.000 0.972 227 Y HN 0.147 nan 8.280 nan 0.000 0.504 228 L N -1.899 119.449 121.223 0.209 0.000 2.012 228 L HA -0.295 4.058 4.340 0.022 0.000 0.210 228 L C 2.202 179.224 176.870 0.254 0.000 1.073 228 L CA 1.508 56.480 54.840 0.220 0.000 0.748 228 L CB -0.826 41.453 42.059 0.367 0.000 0.891 228 L HN 0.196 nan 8.230 nan 0.000 0.431 229 Y N 0.004 120.403 120.300 0.166 0.000 2.274 229 Y HA -0.243 4.320 4.550 0.022 0.000 0.290 229 Y C 2.580 178.514 175.900 0.057 0.000 1.145 229 Y CA 1.304 59.550 58.100 0.243 0.000 1.203 229 Y CB -0.320 38.422 38.460 0.470 0.000 0.984 229 Y HN 0.105 nan 8.280 nan 0.000 0.533 230 K N -0.545 119.852 120.400 -0.005 0.000 2.459 230 K HA 0.097 4.430 4.320 0.022 0.000 0.193 230 K C 1.142 177.531 176.600 -0.352 0.000 1.030 230 K CA 0.733 56.692 56.287 -0.546 0.000 1.026 230 K CB -0.135 31.965 32.500 -0.667 0.000 0.809 230 K HN 0.398 nan 8.250 nan 0.000 0.504 231 G N 1.635 110.239 108.800 -0.327 0.000 2.143 231 G HA2 -0.243 3.731 3.960 0.022 0.000 0.248 231 G HA3 -0.243 3.731 3.960 0.022 0.000 0.248 231 G C -0.522 173.939 174.900 -0.731 0.000 0.991 231 G CA 0.194 44.922 45.100 -0.619 0.000 0.689 231 G HN 0.508 nan 8.290 nan 0.000 0.522 232 E N 0.307 120.199 120.200 -0.514 0.000 2.028 232 E HA 0.360 4.724 4.350 0.022 0.000 0.275 232 E C 0.671 177.071 176.600 -0.333 0.000 1.171 232 E CA -0.683 55.520 56.400 -0.329 0.000 1.186 232 E CB 0.030 29.625 29.700 -0.175 0.000 1.256 232 E HN 0.549 nan 8.360 nan 0.000 0.474 233 Y N 0.967 121.255 120.300 -0.019 0.000 2.242 233 Y HA -0.193 4.370 4.550 0.022 0.000 0.291 233 Y C 2.056 177.920 175.900 -0.060 0.000 1.137 233 Y CA 0.736 58.828 58.100 -0.012 0.000 1.181 233 Y CB -0.213 38.258 38.460 0.018 0.000 0.989 233 Y HN 0.346 nan 8.280 nan 0.000 0.527 234 N N 0.548 119.269 118.700 0.034 0.000 2.069 234 N HA -0.172 4.582 4.740 0.022 0.000 0.191 234 N C 1.608 177.038 175.510 -0.133 0.000 1.031 234 N CA 1.726 54.756 53.050 -0.033 0.000 0.852 234 N CB -0.360 38.099 38.487 -0.047 0.000 1.018 234 N HN 0.435 nan 8.380 nan 0.000 0.423 235 E N 1.016 121.032 120.200 -0.307 0.000 2.107 235 E HA 0.043 4.406 4.350 0.022 0.000 0.191 235 E C 2.038 178.394 176.600 -0.407 0.000 0.982 235 E CA 0.977 57.041 56.400 -0.560 0.000 0.809 235 E CB -0.340 28.632 29.700 -1.213 0.000 0.756 235 E HN 0.346 nan 8.360 nan 0.000 0.459 236 A N 0.957 123.640 122.820 -0.229 0.000 1.892 236 A HA -0.205 4.128 4.320 0.022 0.000 0.218 236 A C 2.156 179.754 177.584 0.023 0.000 1.188 236 A CA 1.486 53.556 52.037 0.056 0.000 0.631 236 A CB -0.739 18.351 19.000 0.151 0.000 0.822 236 A HN 0.271 nan 8.150 nan 0.000 0.447 237 L N 0.058 121.281 121.223 0.001 0.000 2.017 237 L HA -0.047 4.307 4.340 0.022 0.000 0.208 237 L C 1.519 178.359 176.870 -0.050 0.000 1.073 237 L CA 1.986 56.813 54.840 -0.021 0.000 0.745 237 L CB -1.248 40.817 42.059 0.009 0.000 0.894 237 L HN 0.356 nan 8.230 nan 0.000 0.432 241 E N 0.957 121.024 120.200 -0.223 0.000 2.077 241 E HA -0.169 4.195 4.350 0.022 0.000 0.193 241 E C 1.353 177.880 176.600 -0.120 0.000 0.989 241 E CA 1.357 57.631 56.400 -0.210 0.000 0.800 241 E CB -0.137 29.510 29.700 -0.089 0.000 0.746 241 E HN 0.572 nan 8.360 nan 0.000 0.452 242 N N 0.894 119.557 118.700 -0.060 0.000 2.142 242 N HA -0.111 4.643 4.740 0.022 0.000 0.186 242 N C 1.720 177.215 175.510 -0.025 0.000 1.023 242 N CA 1.183 54.224 53.050 -0.016 0.000 0.852 242 N CB -0.413 38.106 38.487 0.053 0.000 0.998 242 N HN 0.118 nan 8.380 nan 0.000 0.424 243 A N 1.449 124.274 122.820 0.008 0.000 1.865 243 A HA -0.128 4.205 4.320 0.022 0.000 0.217 243 A C 2.339 179.822 177.584 -0.167 0.000 1.191 243 A CA 1.173 53.234 52.037 0.040 0.000 0.623 243 A CB -0.852 18.168 19.000 0.032 0.000 0.826 243 A HN 0.223 nan 8.150 nan 0.000 0.444 244 I N -0.506 119.939 120.570 -0.208 0.000 2.127 244 I HA -0.323 3.861 4.170 0.022 0.000 0.241 244 I C 2.539 178.509 176.117 -0.246 0.000 1.075 244 I CA 2.005 63.157 61.300 -0.248 0.000 1.334 244 I CB -0.294 37.474 38.000 -0.386 0.000 1.040 244 I HN 0.305 nan 8.210 nan 0.000 0.405 245 K N 0.603 120.866 120.400 -0.228 0.000 2.057 245 K HA -0.087 4.246 4.320 0.022 0.000 0.206 245 K C 2.215 178.568 176.600 -0.412 0.000 1.050 245 K CA 1.432 57.587 56.287 -0.219 0.000 0.935 245 K CB -0.577 31.843 32.500 -0.134 0.000 0.715 245 K HN 0.441 nan 8.250 nan 0.000 0.439 246 G N 1.369 109.741 108.800 -0.713 0.000 2.446 246 G HA2 -0.294 3.679 3.960 0.022 0.000 0.217 246 G HA3 -0.294 3.679 3.960 0.022 0.000 0.217 246 G C 1.672 175.533 174.900 -1.732 0.000 1.168 246 G CA 1.053 45.162 45.100 -1.651 0.000 0.771 246 G HN 0.357 nan 8.290 nan 0.000 0.551 247 A N 0.834 122.820 122.820 -1.390 0.000 1.908 247 A HA -0.055 4.278 4.320 0.022 0.000 0.218 247 A C 2.190 179.673 177.584 -0.169 0.000 1.181 247 A CA 2.009 53.620 52.037 -0.711 0.000 0.627 247 A CB -0.415 18.332 19.000 -0.422 0.000 0.818 247 A HN 0.481 nan 8.150 nan 0.000 0.445 248 E N -0.663 119.427 120.200 -0.183 0.000 2.107 248 E HA -0.169 4.194 4.350 0.022 0.000 0.191 248 E C 2.063 178.631 176.600 -0.052 0.000 0.982 248 E CA 1.164 57.539 56.400 -0.041 0.000 0.809 248 E CB -0.120 29.572 29.700 -0.014 0.000 0.756 248 E HN 0.677 nan 8.360 nan 0.000 0.459 249 K N 1.238 121.561 120.400 -0.128 0.000 2.097 249 K HA -0.214 4.119 4.320 0.022 0.000 0.206 249 K C 1.921 178.510 176.600 -0.018 0.000 1.049 249 K CA 1.262 57.504 56.287 -0.076 0.000 0.933 249 K CB 0.120 32.560 32.500 -0.101 0.000 0.717 249 K HN -0.124 nan 8.250 nan 0.000 0.442 250 E N -0.871 119.333 120.200 0.006 0.000 2.418 250 E HA -0.036 4.327 4.350 0.022 0.000 0.197 250 E C 0.825 177.442 176.600 0.029 0.000 1.026 250 E CA 1.087 57.558 56.400 0.119 0.000 0.862 250 E CB 0.288 30.204 29.700 0.361 0.000 0.799 250 E HN 0.560 nan 8.360 nan 0.000 0.518 251 G N -1.574 107.229 108.800 0.005 0.000 2.211 251 G HA2 -0.244 3.729 3.960 0.022 0.000 0.201 251 G HA3 -0.244 3.729 3.960 0.022 0.000 0.201 251 G C -0.246 174.604 174.900 -0.083 0.000 0.997 251 G CA -0.091 44.969 45.100 -0.067 0.000 0.652 251 G HN 0.179 nan 8.290 nan 0.000 0.500 252 Y N 1.347 121.653 120.300 0.011 0.000 2.480 252 Y HA 0.473 5.036 4.550 0.022 0.000 0.338 252 Y C 0.819 176.700 175.900 -0.032 0.000 1.220 252 Y CA 0.734 58.834 58.100 -0.001 0.000 1.430 252 Y CB 1.003 39.467 38.460 0.007 0.000 1.311 252 Y HN 0.707 nan 8.280 nan 0.000 0.575 253 A N 2.462 125.340 122.820 0.097 0.000 2.574 253 A HA 0.559 4.892 4.320 0.022 0.000 0.297 253 A C -1.298 176.246 177.584 -0.066 0.000 1.062 253 A CA -0.990 51.066 52.037 0.033 0.000 0.686 253 A CB 0.862 19.882 19.000 0.033 0.000 1.285 253 A HN 0.714 nan 8.150 nan 0.000 0.403 254 L N 2.286 123.465 121.223 -0.073 0.000 2.525 254 L HA -0.008 4.346 4.340 0.022 0.000 0.278 254 L C 0.082 176.940 176.870 -0.020 0.000 1.218 254 L CA -0.120 54.636 54.840 -0.140 0.000 0.878 254 L CB 0.239 42.198 42.059 -0.167 0.000 1.127 254 L HN 0.652 nan 8.230 nan 0.000 0.492 255 W N 2.616 123.908 121.300 -0.013 0.000 2.257 255 W HA 0.023 4.696 4.660 0.022 0.000 0.337 255 W C 0.997 177.548 176.519 0.054 0.000 1.321 255 W CA -0.685 56.655 57.345 -0.009 0.000 1.267 255 W CB -0.213 29.194 29.460 -0.088 0.000 1.187 255 W HN 0.517 nan 8.180 nan 0.000 0.565 256 T N -0.399 114.313 114.554 0.263 0.000 2.813 256 T HA -0.056 4.308 4.350 0.022 0.000 0.297 256 T C 1.444 176.259 174.700 0.190 0.000 1.036 256 T CA -0.268 61.931 62.100 0.165 0.000 1.044 256 T CB 0.921 69.852 68.868 0.105 0.000 0.993 256 T HN 0.511 nan 8.240 nan 0.000 0.535 257 N N 0.590 119.359 118.700 0.114 0.000 2.091 257 N HA -0.258 4.495 4.740 0.022 0.000 0.193 257 N C 1.709 177.287 175.510 0.113 0.000 1.021 257 N CA 2.217 55.320 53.050 0.087 0.000 0.862 257 N CB -0.187 38.321 38.487 0.035 0.000 1.018 257 N HN 0.896 nan 8.380 nan 0.000 0.429 258 E N 0.190 120.443 120.200 0.088 0.000 2.152 258 E HA -0.111 4.253 4.350 0.022 0.000 0.192 258 E C 1.536 178.177 176.600 0.069 0.000 0.983 258 E CA 0.834 57.276 56.400 0.070 0.000 0.818 258 E CB 0.089 29.816 29.700 0.045 0.000 0.758 258 E HN 0.460 nan 8.360 nan 0.000 0.467 259 E N -0.672 119.570 120.200 0.070 0.000 2.216 259 E HA -0.154 4.209 4.350 0.022 0.000 0.192 259 E C 1.539 178.096 176.600 -0.073 0.000 0.988 259 E CA 0.430 56.819 56.400 -0.017 0.000 0.834 259 E CB -0.098 29.589 29.700 -0.020 0.000 0.772 259 E HN 0.338 nan 8.360 nan 0.000 0.479 260 Y N 1.606 121.878 120.300 -0.046 0.000 2.151 260 Y HA -0.175 4.387 4.550 0.021 0.000 0.284 260 Y C -0.891 175.051 175.900 0.070 0.000 1.166 260 Y CA 1.801 59.898 58.100 -0.006 0.000 1.163 260 Y CB -0.822 37.732 38.460 0.157 0.000 0.974 260 Y HN 0.075 nan 8.280 nan 0.000 0.511 261 P HA -0.145 nan 4.420 nan 0.000 0.216 261 P C 1.124 178.499 177.300 0.125 0.000 1.150 261 P CA 2.813 66.044 63.100 0.220 0.000 0.837 261 P CB -0.124 31.669 31.700 0.155 0.000 0.786 262 T N -5.904 108.644 114.554 -0.011 0.000 3.040 262 T HA 0.439 4.802 4.350 0.022 0.000 0.266 262 T C 1.608 176.157 174.700 -0.252 0.000 1.005 262 T CA 0.302 62.363 62.100 -0.066 0.000 0.906 262 T CB -0.437 68.398 68.868 -0.054 0.000 1.082 262 T HN -0.074 nan 8.240 nan 0.000 0.531 263 A N 0.961 123.417 122.820 -0.607 0.000 2.015 263 A HA 0.091 4.425 4.320 0.022 0.000 0.219 263 A C 1.797 178.737 177.584 -1.073 0.000 1.163 263 A CA 0.877 52.253 52.037 -1.102 0.000 0.646 263 A CB -1.235 16.414 19.000 -2.253 0.000 0.806 263 A HN 0.719 nan 8.150 nan 0.000 0.448 264 W N -0.145 120.648 121.300 -0.846 0.000 2.331 264 W HA -0.076 4.601 4.660 0.029 0.000 0.291 264 W C 2.229 178.605 176.519 -0.239 0.000 1.214 264 W CA 1.083 58.138 57.345 -0.484 0.000 1.228 264 W CB -0.545 28.682 29.460 -0.389 0.000 1.135 264 W HN 0.373 nan 8.180 nan 0.000 0.537 265 G N -0.485 108.300 108.800 -0.026 0.000 3.042 265 G HA2 -0.053 3.920 3.960 0.022 0.000 0.212 265 G HA3 -0.053 3.920 3.960 0.022 0.000 0.212 265 G C 0.503 175.387 174.900 -0.026 0.000 1.166 265 G CA -0.358 44.739 45.100 -0.005 0.000 0.767 265 G HN -0.024 nan 8.290 nan 0.000 0.546 266 N N 1.061 119.715 118.700 -0.076 0.000 2.381 266 N HA 0.129 4.882 4.740 0.022 0.000 0.241 266 N C -0.945 174.584 175.510 0.031 0.000 1.279 266 N CA 0.154 53.183 53.050 -0.036 0.000 0.896 266 N CB 0.936 39.392 38.487 -0.052 0.000 1.118 266 N HN -0.035 nan 8.380 nan 0.000 0.438 267 D N -0.008 120.416 120.400 0.039 0.000 2.462 267 D HA 0.383 5.037 4.640 0.022 0.000 0.249 267 D C -0.743 175.605 176.300 0.080 0.000 1.117 267 D CA -0.513 53.526 54.000 0.066 0.000 0.900 267 D CB 0.291 41.119 40.800 0.046 0.000 1.039 267 D HN 0.535 nan 8.370 nan 0.000 0.516 268 A N 2.554 125.458 122.820 0.140 0.000 2.483 268 A HA 0.518 4.851 4.320 0.022 0.000 0.238 268 A C 0.477 178.127 177.584 0.110 0.000 1.070 268 A CA 0.026 52.153 52.037 0.150 0.000 0.770 268 A CB 0.230 19.409 19.000 0.298 0.000 1.008 268 A HN 0.592 nan 8.150 nan 0.000 0.497 269 S N 0.028 115.596 115.700 -0.221 0.000 2.697 269 S HA 0.690 5.173 4.470 0.022 0.000 0.289 269 S C 0.873 174.702 174.600 -1.285 0.000 1.149 269 S CA -0.121 57.760 58.200 -0.533 0.000 0.850 269 S CB 1.248 64.296 63.200 -0.253 0.000 1.151 269 S HN 1.792 nan 8.310 nan 0.000 0.491 270 A N 1.532 123.633 122.820 -1.198 0.000 1.940 270 A HA -0.061 4.273 4.320 0.022 0.000 0.219 270 A C 2.283 179.554 177.584 -0.522 0.000 1.176 270 A CA 2.409 53.899 52.037 -0.912 0.000 0.631 270 A CB -1.595 17.211 19.000 -0.324 0.000 0.814 270 A HN 1.502 nan 8.150 nan 0.000 0.446 271 S N -0.914 114.571 115.700 -0.359 0.000 2.436 271 S HA 0.017 4.500 4.470 0.022 0.000 0.228 271 S C 0.643 175.114 174.600 -0.215 0.000 1.014 271 S CA 0.676 58.743 58.200 -0.223 0.000 0.950 271 S CB -0.119 62.993 63.200 -0.147 0.000 0.784 271 S HN 0.500 nan 8.310 nan 0.000 0.504 272 N N 1.746 120.287 118.700 -0.266 0.000 2.752 272 N HA 0.286 5.039 4.740 0.022 0.000 0.260 272 N C -2.738 172.655 175.510 -0.194 0.000 1.562 272 N CA -0.939 52.007 53.050 -0.173 0.000 0.788 272 N CB 1.880 40.310 38.487 -0.095 0.000 1.192 272 N HN 0.215 nan 8.380 nan 0.000 0.503 273 P HA 0.038 nan 4.420 nan 0.000 0.225 273 P C 1.105 178.445 177.300 0.066 0.000 1.156 273 P CA 0.853 63.816 63.100 -0.228 0.000 0.787 273 P CB 0.558 31.883 31.700 -0.626 0.000 0.802 274 G N 1.616 110.456 108.800 0.067 0.000 2.564 274 G HA2 -0.311 3.663 3.960 0.022 0.000 0.273 274 G HA3 -0.311 3.663 3.960 0.022 0.000 0.273 274 G C 0.652 175.519 174.900 -0.054 0.000 1.242 274 G CA 0.609 45.783 45.100 0.123 0.000 0.951 274 G HN 0.425 nan 8.290 nan 0.000 0.564 275 E N -0.914 118.961 120.200 -0.541 0.000 2.498 275 E HA 0.360 4.724 4.350 0.022 0.000 0.203 275 E C 0.902 177.311 176.600 -0.319 0.000 1.013 275 E CA -0.350 55.743 56.400 -0.512 0.000 0.927 275 E CB 0.235 29.417 29.700 -0.862 0.000 1.012 275 E HN 0.580 nan 8.360 nan 0.000 0.482 276 I N 2.549 123.028 120.570 -0.153 0.000 2.421 276 I HA 0.018 4.202 4.170 0.022 0.000 0.291 276 I C 1.030 177.198 176.117 0.085 0.000 1.089 276 I CA -0.175 61.109 61.300 -0.027 0.000 1.354 276 I CB 0.856 38.897 38.000 0.069 0.000 1.413 276 I HN 0.199 nan 8.210 nan 0.000 0.513 277 L N 6.240 127.439 121.223 -0.041 0.000 2.209 277 L HA 0.091 4.444 4.340 0.022 0.000 0.207 277 L C 0.295 177.210 176.870 0.076 0.000 1.094 277 L CA 0.903 55.673 54.840 -0.116 0.000 0.790 277 L CB -0.040 41.919 42.059 -0.166 0.000 0.932 277 L HN 0.454 nan 8.230 nan 0.000 0.447 278 F N 0.855 120.764 119.950 -0.069 0.000 2.562 278 F HA 0.444 4.985 4.527 0.024 0.000 0.319 278 F C -0.507 175.284 175.800 -0.014 0.000 1.154 278 F CA -1.385 56.577 58.000 -0.064 0.000 0.931 278 F CB 1.300 40.256 39.000 -0.073 0.000 1.198 278 F HN -0.174 nan 8.300 nan 0.000 0.444 279 E N 6.449 126.449 120.200 -0.333 0.000 2.187 279 E HA 0.434 4.797 4.350 0.022 0.000 0.268 279 E C -1.053 175.244 176.600 -0.506 0.000 0.896 279 E CA -0.805 55.403 56.400 -0.321 0.000 0.766 279 E CB 1.386 31.044 29.700 -0.070 0.000 1.142 279 E HN 0.506 nan 8.360 nan 0.000 0.408 280 I N 4.865 125.201 120.570 -0.389 0.000 2.322 280 I HA 0.120 4.304 4.170 0.022 0.000 0.292 280 I C -0.124 175.955 176.117 -0.063 0.000 1.060 280 I CA -0.319 60.852 61.300 -0.214 0.000 1.309 280 I CB 0.752 38.687 38.000 -0.108 0.000 1.415 280 I HN 0.310 nan 8.210 nan 0.000 0.492 281 V N 7.955 127.844 119.914 -0.042 0.000 2.406 281 V HA 0.298 4.431 4.120 0.022 0.000 0.272 281 V C 0.261 176.367 176.094 0.021 0.000 1.043 281 V CA -0.573 61.727 62.300 -0.000 0.000 0.915 281 V CB 1.123 32.943 31.823 -0.005 0.000 0.988 281 V HN 0.642 nan 8.190 nan 0.000 0.466 282 N N 5.306 124.026 118.700 0.034 0.000 2.314 282 N HA 0.670 5.423 4.740 0.022 0.000 0.294 282 N C -1.047 174.482 175.510 0.031 0.000 1.029 282 N CA -0.396 52.674 53.050 0.034 0.000 0.845 282 N CB 2.520 41.031 38.487 0.040 0.000 1.321 282 N HN 0.485 nan 8.380 nan 0.000 0.481 283 L N 0.408 121.646 121.223 0.024 0.000 2.323 283 L HA 0.439 4.793 4.340 0.022 0.000 0.265 283 L C 1.585 178.463 176.870 0.014 0.000 1.012 283 L CA -0.703 54.150 54.840 0.021 0.000 0.820 283 L CB 1.687 43.759 42.059 0.021 0.000 1.334 283 L HN 0.434 nan 8.230 nan 0.000 0.427 284 T N -1.199 113.362 114.554 0.012 0.000 2.759 284 T HA -0.154 4.209 4.350 0.022 0.000 0.269 284 T C 1.545 176.248 174.700 0.004 0.000 1.042 284 T CA 2.171 64.274 62.100 0.005 0.000 1.140 284 T CB -0.240 68.630 68.868 0.005 0.000 0.864 284 T HN 0.866 nan 8.240 nan 0.000 0.455 285 T N -1.020 113.539 114.554 0.009 0.000 3.148 285 T HA 0.131 4.495 4.350 0.022 0.000 0.253 285 T C 0.333 175.040 174.700 0.012 0.000 1.134 285 T CA 0.287 62.393 62.100 0.010 0.000 1.051 285 T CB 0.048 68.924 68.868 0.014 0.000 0.959 285 T HN 0.207 nan 8.240 nan 0.000 0.525 286 D N 0.880 121.287 120.400 0.012 0.000 3.118 286 D HA 0.214 4.867 4.640 0.022 0.000 0.259 286 D C -1.093 175.215 176.300 0.013 0.000 1.292 286 D CA -0.336 53.673 54.000 0.016 0.000 0.784 286 D CB 0.748 41.561 40.800 0.021 0.000 1.413 286 D HN 0.176 nan 8.370 nan 0.000 0.583 287 S N 1.298 117.001 115.700 0.004 0.000 2.554 287 S HA 0.535 5.019 4.470 0.022 0.000 0.278 287 S C -1.406 173.189 174.600 -0.007 0.000 1.242 287 S CA -1.165 57.032 58.200 -0.006 0.000 1.051 287 S CB 1.356 64.542 63.200 -0.024 0.000 0.986 287 S HN 0.237 nan 8.310 nan 0.000 0.502 288 P HA 0.239 nan 4.420 nan 0.000 0.245 288 P C 0.845 178.125 177.300 -0.034 0.000 1.206 288 P CA 0.626 63.719 63.100 -0.012 0.000 0.781 288 P CB -0.588 31.108 31.700 -0.007 0.000 0.994 289 G N 1.508 110.270 108.800 -0.063 0.000 2.741 289 G HA2 -0.264 3.709 3.960 0.022 0.000 0.222 289 G HA3 -0.264 3.709 3.960 0.022 0.000 0.222 289 G C 0.359 175.157 174.900 -0.170 0.000 1.364 289 G CA -0.095 44.936 45.100 -0.114 0.000 0.866 289 G HN 0.177 nan 8.290 nan 0.000 0.555 290 K N 0.317 120.555 120.400 -0.270 0.000 2.525 290 K HA 0.070 4.403 4.320 0.022 0.000 0.192 290 K C 1.625 178.231 176.600 0.010 0.000 1.029 290 K CA 1.121 57.100 56.287 -0.514 0.000 1.029 290 K CB 0.086 32.024 32.500 -0.936 0.000 0.814 290 K HN 0.578 nan 8.250 nan 0.000 0.503 291 E N 0.909 121.167 120.200 0.096 0.000 2.465 291 E HA -0.014 4.349 4.350 0.022 0.000 0.191 291 E C 0.315 176.973 176.600 0.096 0.000 1.053 291 E CA -0.156 56.345 56.400 0.169 0.000 0.869 291 E CB 0.460 30.234 29.700 0.124 0.000 0.977 291 E HN 0.202 nan 8.360 nan 0.000 0.483 295 Y N 1.494 121.718 120.300 -0.127 0.000 2.347 295 Y HA 0.417 4.985 4.550 0.029 0.000 0.294 295 Y C 2.586 178.403 175.900 -0.137 0.000 1.117 295 Y CA 0.995 58.992 58.100 -0.173 0.000 1.184 295 Y CB 0.054 38.385 38.460 -0.214 0.000 1.047 295 Y HN 0.114 nan 8.280 nan 0.000 0.546 296 L N -0.058 121.187 121.223 0.037 0.000 2.093 296 L HA -0.202 4.152 4.340 0.022 0.000 0.208 296 L C 0.654 177.482 176.870 -0.070 0.000 1.085 296 L CA 1.195 56.040 54.840 0.008 0.000 0.755 296 L CB -0.373 41.679 42.059 -0.010 0.000 0.904 296 L HN 0.190 nan 8.230 nan 0.000 0.435 297 N N 0.103 118.752 118.700 -0.084 0.000 2.714 297 N HA 0.092 4.846 4.740 0.022 0.000 0.298 297 N C -0.434 174.982 175.510 -0.157 0.000 1.298 297 N CA 0.091 53.140 53.050 -0.002 0.000 1.007 297 N CB 0.920 39.456 38.487 0.080 0.000 1.318 297 N HN 0.035 nan 8.380 nan 0.000 0.516 298 S N 0.217 115.627 115.700 -0.484 0.000 2.533 298 S HA 0.179 4.662 4.470 0.022 0.000 0.271 298 S C 0.310 174.309 174.600 -1.002 0.000 1.143 298 S CA -0.704 57.053 58.200 -0.738 0.000 0.891 298 S CB 0.559 63.428 63.200 -0.551 0.000 1.105 298 S HN 0.318 nan 8.310 nan 0.000 0.468 299 Y N 3.041 122.779 120.300 -0.937 0.000 2.583 299 Y HA 0.407 4.973 4.550 0.027 0.000 0.293 299 Y C 1.079 176.756 175.900 -0.371 0.000 1.157 299 Y CA 0.485 58.212 58.100 -0.620 0.000 1.315 299 Y CB -0.509 37.770 38.460 -0.301 0.000 1.021 299 Y HN 0.514 nan 8.280 nan 0.000 0.536 300 N N 0.683 119.101 118.700 -0.471 0.000 2.270 300 N HA 0.184 4.937 4.740 0.022 0.000 0.198 300 N C 0.864 176.038 175.510 -0.561 0.000 1.117 300 N CA 0.721 53.565 53.050 -0.344 0.000 0.845 300 N CB 0.702 39.002 38.487 -0.312 0.000 0.980 300 N HN 0.610 nan 8.380 nan 0.000 0.486 301 G N -0.669 107.651 108.800 -0.799 0.000 3.414 301 G HA2 0.111 4.084 3.960 0.022 0.000 0.196 301 G HA3 0.111 4.084 3.960 0.022 0.000 0.196 301 G C -0.161 174.135 174.900 -1.008 0.000 1.486 301 G CA -0.020 44.095 45.100 -1.642 0.000 0.811 301 G HN 0.090 nan 8.290 nan 0.000 0.704 302 Y N 1.164 121.115 120.300 -0.582 0.000 2.468 302 Y HA 0.219 4.778 4.550 0.016 0.000 0.268 302 Y C 0.496 176.283 175.900 -0.190 0.000 1.177 302 Y CA -0.686 57.294 58.100 -0.200 0.000 1.265 302 Y CB -0.417 38.037 38.460 -0.010 0.000 1.103 302 Y HN 0.495 nan 8.280 nan 0.000 0.522 303 D N 0.262 120.567 120.400 -0.159 0.000 2.686 303 D HA -0.233 4.420 4.640 0.022 0.000 0.235 303 D C -0.137 176.166 176.300 0.005 0.000 1.160 303 D CA 1.061 54.978 54.000 -0.137 0.000 0.645 303 D CB -0.596 40.157 40.800 -0.079 0.000 1.039 303 D HN 0.371 nan 8.370 nan 0.000 0.423 307 I N 1.648 122.090 120.570 -0.213 0.000 2.696 307 I HA 0.560 4.743 4.170 0.022 0.000 0.284 307 I C 0.768 176.860 176.117 -0.042 0.000 1.129 307 I CA 0.517 61.771 61.300 -0.078 0.000 1.410 307 I CB 1.030 39.091 38.000 0.100 0.000 1.399 307 I HN 0.985 nan 8.210 nan 0.000 0.579 308 T N 1.713 116.288 114.554 0.035 0.000 2.813 308 T HA 0.160 4.524 4.350 0.022 0.000 0.297 308 T C 1.085 175.867 174.700 0.136 0.000 1.036 308 T CA -0.695 61.421 62.100 0.028 0.000 1.044 308 T CB 1.183 70.113 68.868 0.104 0.000 0.993 308 T HN 0.842 nan 8.240 nan 0.000 0.535 309 C N 1.332 120.686 119.300 0.090 0.000 2.440 309 C HA -0.058 4.415 4.460 0.022 0.000 0.278 309 C C 3.301 178.411 174.990 0.199 0.000 1.295 309 C CA 1.038 60.155 59.018 0.164 0.000 1.738 309 C CB -1.657 26.148 27.740 0.108 0.000 1.987 309 C HN 1.082 nan 8.230 nan 0.000 0.492 310 S N 0.771 116.584 115.700 0.188 0.000 2.382 310 S HA -0.199 4.284 4.470 0.022 0.000 0.228 310 S C 1.672 176.387 174.600 0.191 0.000 1.027 310 S CA 1.427 59.729 58.200 0.170 0.000 0.991 310 S CB -0.861 62.448 63.200 0.182 0.000 0.823 310 S HN 0.592 nan 8.310 nan 0.000 0.469 311 F N 1.437 121.460 119.950 0.121 0.000 2.206 311 F HA 0.025 4.562 4.527 0.018 0.000 0.298 311 F C 2.261 178.154 175.800 0.156 0.000 1.090 311 F CA 0.893 58.964 58.000 0.117 0.000 1.323 311 F CB -0.658 38.407 39.000 0.107 0.000 1.028 311 F HN 0.200 nan 8.300 nan 0.000 0.492 312 Y N 1.624 121.946 120.300 0.036 0.000 2.128 312 Y HA -0.287 4.283 4.550 0.033 0.000 0.284 312 Y C 2.423 178.269 175.900 -0.090 0.000 1.154 312 Y CA 2.275 60.352 58.100 -0.038 0.000 1.149 312 Y CB -0.951 37.553 38.460 0.074 0.000 0.976 312 Y HN 0.257 nan 8.280 nan 0.000 0.505 313 Q N -0.787 118.937 119.800 -0.126 0.000 2.119 313 Q HA -0.158 4.195 4.340 0.022 0.000 0.201 313 Q C 2.257 178.136 176.000 -0.201 0.000 0.972 313 Q CA 1.461 57.137 55.803 -0.211 0.000 0.847 313 Q CB -0.357 28.334 28.738 -0.078 0.000 0.903 313 Q HN 0.524 nan 8.270 nan 0.000 0.433 314 L N 0.399 121.515 121.223 -0.178 0.000 2.017 314 L HA -0.181 4.173 4.340 0.022 0.000 0.208 314 L C 2.036 178.745 176.870 -0.268 0.000 1.073 314 L CA 1.442 56.167 54.840 -0.191 0.000 0.745 314 L CB -0.476 41.488 42.059 -0.159 0.000 0.894 314 L HN 0.167 nan 8.230 nan 0.000 0.432 315 L N -0.178 120.792 121.223 -0.421 0.000 2.083 315 L HA -0.189 4.164 4.340 0.022 0.000 0.209 315 L C 2.487 179.227 176.870 -0.217 0.000 1.083 315 L CA 1.780 56.417 54.840 -0.338 0.000 0.752 315 L CB -0.685 41.137 42.059 -0.395 0.000 0.899 315 L HN 0.264 nan 8.230 nan 0.000 0.433 316 K N -0.860 119.373 120.400 -0.280 0.000 2.283 316 K HA -0.165 4.168 4.320 0.022 0.000 0.202 316 K C 1.960 178.456 176.600 -0.172 0.000 1.048 316 K CA 0.814 56.947 56.287 -0.258 0.000 0.948 316 K CB -0.000 32.246 32.500 -0.422 0.000 0.742 316 K HN 0.253 nan 8.250 nan 0.000 0.458 317 K N 0.627 120.934 120.400 -0.154 0.000 2.173 317 K HA -0.169 4.164 4.320 0.022 0.000 0.207 317 K C 0.432 176.984 176.600 -0.080 0.000 1.046 317 K CA 1.162 57.386 56.287 -0.104 0.000 0.929 317 K CB -0.026 32.422 32.500 -0.086 0.000 0.720 317 K HN 0.059 nan 8.250 nan 0.000 0.453 318 D N -0.316 120.037 120.400 -0.079 0.000 2.460 318 D HA 0.092 4.745 4.640 0.022 0.000 0.232 318 D C -2.001 174.267 176.300 -0.053 0.000 1.079 318 D CA -2.612 51.354 54.000 -0.056 0.000 0.864 318 D CB 1.366 42.139 40.800 -0.045 0.000 1.048 318 D HN -0.120 nan 8.370 nan 0.000 0.523 319 P HA -0.053 nan 4.420 nan 0.000 0.234 319 P C 0.507 177.799 177.300 -0.014 0.000 1.167 319 P CA 0.535 63.613 63.100 -0.036 0.000 0.763 319 P CB 0.371 32.047 31.700 -0.038 0.000 0.835 320 K N -0.296 120.095 120.400 -0.015 0.000 2.387 320 K HA 0.057 4.390 4.320 0.022 0.000 0.198 320 K C 0.489 177.084 176.600 -0.009 0.000 1.022 320 K CA -0.231 56.053 56.287 -0.006 0.000 1.128 320 K CB 0.017 32.512 32.500 -0.008 0.000 0.853 320 K HN 0.091 nan 8.250 nan 0.000 0.523 321 D N 1.952 122.342 120.400 -0.016 0.000 2.472 321 D HA -0.074 4.579 4.640 0.022 0.000 0.248 321 D C 1.021 177.316 176.300 -0.007 0.000 1.174 321 D CA 0.163 54.149 54.000 -0.024 0.000 0.883 321 D CB 1.429 42.211 40.800 -0.030 0.000 1.149 321 D HN -0.170 nan 8.370 nan 0.000 0.488 322 V N 5.643 125.533 119.914 -0.039 0.000 2.720 322 V HA -0.209 3.924 4.120 0.022 0.000 0.256 322 V C 2.275 178.394 176.094 0.042 0.000 1.082 322 V CA 1.640 63.933 62.300 -0.011 0.000 1.101 322 V CB -0.228 31.552 31.823 -0.071 0.000 0.693 322 V HN 0.523 nan 8.190 nan 0.000 0.479 323 R N -0.615 119.885 120.500 -0.001 0.000 2.148 323 R HA -0.051 4.302 4.340 0.022 0.000 0.227 323 R C 2.121 178.522 176.300 0.167 0.000 1.103 323 R CA 1.322 57.502 56.100 0.134 0.000 0.983 323 R CB -0.359 30.015 30.300 0.123 0.000 0.874 323 R HN 0.452 nan 8.270 nan 0.000 0.451 324 L N 0.882 122.182 121.223 0.129 0.000 2.129 324 L HA -0.225 4.128 4.340 0.022 0.000 0.212 324 L C 1.855 178.843 176.870 0.197 0.000 1.087 324 L CA 1.461 56.406 54.840 0.175 0.000 0.757 324 L CB -0.292 41.861 42.059 0.157 0.000 0.896 324 L HN 0.115 nan 8.230 nan 0.000 0.434 325 K N 0.202 120.706 120.400 0.174 0.000 2.504 325 K HA -0.072 4.261 4.320 0.022 0.000 0.195 325 K C 1.274 177.968 176.600 0.156 0.000 1.036 325 K CA 0.736 57.126 56.287 0.172 0.000 0.984 325 K CB 0.006 32.603 32.500 0.162 0.000 0.788 325 K HN 0.394 nan 8.250 nan 0.000 0.488 326 I N -2.197 118.459 120.570 0.143 0.000 3.941 326 I HA 0.152 4.335 4.170 0.022 0.000 0.335 326 I C -0.140 175.961 176.117 -0.026 0.000 1.402 326 I CA -0.161 61.157 61.300 0.029 0.000 1.112 326 I CB -0.111 37.849 38.000 -0.066 0.000 1.043 326 I HN -0.177 nan 8.210 nan 0.000 0.395 327 L N 1.258 122.486 121.223 0.009 0.000 2.331 327 L HA 0.425 4.778 4.340 0.022 0.000 0.278 327 L C 0.464 177.245 176.870 -0.148 0.000 1.106 327 L CA -0.262 54.492 54.840 -0.144 0.000 0.824 327 L CB 1.087 42.982 42.059 -0.273 0.000 1.142 327 L HN 0.271 nan 8.230 nan 0.000 0.443 328 S N 3.486 119.094 115.700 -0.153 0.000 2.438 328 S HA 0.558 5.041 4.470 0.022 0.000 0.316 328 S C -0.719 173.936 174.600 0.093 0.000 1.084 328 S CA -0.565 57.667 58.200 0.054 0.000 1.107 328 S CB 0.215 63.445 63.200 0.050 0.000 0.981 328 S HN 0.296 nan 8.310 nan 0.000 0.466 329 F N 3.191 123.293 119.950 0.253 0.000 2.405 329 F HA 0.284 4.818 4.527 0.011 0.000 0.355 329 F C 0.655 176.479 175.800 0.040 0.000 1.121 329 F CA -0.872 57.209 58.000 0.135 0.000 1.112 329 F CB 1.013 40.010 39.000 -0.005 0.000 1.126 329 F HN 0.493 nan 8.300 nan 0.000 0.481 330 D N 5.788 126.301 120.400 0.188 0.000 2.359 330 D HA 0.098 4.751 4.640 0.022 0.000 0.250 330 D C 0.554 176.712 176.300 -0.236 0.000 1.264 330 D CA 0.275 54.163 54.000 -0.187 0.000 0.911 330 D CB 0.248 41.185 40.800 0.228 0.000 1.056 330 D HN 0.333 nan 8.370 nan 0.000 0.499 331 K N 2.977 123.142 120.400 -0.392 0.000 1.721 331 K HA -0.302 4.031 4.320 0.022 0.000 0.121 331 K C 0.193 176.533 176.600 -0.433 0.000 1.152 331 K CA 1.278 57.249 56.287 -0.525 0.000 0.360 331 K CB -1.014 30.890 32.500 -0.993 0.000 0.626 331 K HN 0.550 nan 8.250 nan 0.000 0.878 332 K N 0.694 120.715 120.400 -0.631 0.000 2.861 332 K HA 0.161 4.494 4.320 0.022 0.000 0.210 332 K C 0.532 177.070 176.600 -0.103 0.000 1.112 332 K CA -0.071 56.051 56.287 -0.276 0.000 1.076 332 K CB 0.269 32.661 32.500 -0.180 0.000 0.853 332 K HN 0.256 nan 8.250 nan 0.000 0.463 333 Y N -0.953 119.274 120.300 -0.122 0.000 2.472 333 Y HA 0.213 4.905 4.550 0.237 0.000 0.288 333 Y C 0.369 175.906 175.900 -0.604 0.000 1.154 333 Y CA -0.310 57.562 58.100 -0.379 0.000 1.238 333 Y CB 0.277 38.526 38.460 -0.352 0.000 1.287 333 Y HN -0.078 nan 8.280 nan 0.000 0.524 334 Y N -1.423 118.948 120.300 0.119 0.000 2.625 334 Y HA 0.716 5.133 4.550 -0.222 0.000 0.338 334 Y C -0.644 175.129 175.900 -0.212 0.000 1.123 334 Y CA -2.148 55.888 58.100 -0.107 0.000 1.046 334 Y CB 1.524 39.871 38.460 -0.187 0.000 1.299 334 Y HN -0.148 nan 8.280 nan 0.000 0.464 335 A N 1.219 123.845 122.820 -0.323 0.000 2.335 335 A HA 0.769 5.103 4.320 0.022 0.000 0.304 335 A C -2.055 175.172 177.584 -0.594 0.000 1.118 335 A CA -0.613 51.077 52.037 -0.580 0.000 0.757 335 A CB 0.288 18.759 19.000 -0.881 0.000 1.188 335 A HN 0.634 nan 8.150 nan 0.000 0.460 336 Y N 1.014 121.189 120.300 -0.207 0.000 2.352 336 Y HA 0.431 4.981 4.550 -0.000 0.000 0.326 336 Y C 0.490 176.293 175.900 -0.163 0.000 1.166 336 Y CA -0.596 57.420 58.100 -0.141 0.000 1.182 336 Y CB 1.771 40.171 38.460 -0.101 0.000 1.216 336 Y HN 0.369 nan 8.280 nan 0.000 0.474 337 V N 2.744 122.668 119.914 0.018 0.000 2.372 337 V HA 0.036 4.169 4.120 0.022 0.000 0.261 337 V C 0.217 176.276 176.094 -0.059 0.000 1.055 337 V CA -0.494 61.782 62.300 -0.039 0.000 0.930 337 V CB 0.140 31.943 31.823 -0.034 0.000 1.031 337 V HN 0.658 nan 8.190 nan 0.000 0.479 338 N N 4.122 122.739 118.700 -0.139 0.000 2.843 338 N HA 0.123 4.876 4.740 0.022 0.000 0.284 338 N C 1.216 176.492 175.510 -0.390 0.000 1.274 338 N CA 0.130 53.071 53.050 -0.181 0.000 1.045 338 N CB 0.032 38.438 38.487 -0.135 0.000 1.370 338 N HN 0.553 nan 8.380 nan 0.000 0.525 339 K N -0.617 119.440 120.400 -0.571 0.000 2.314 339 K HA 0.019 4.352 4.320 0.022 0.000 0.198 339 K C -0.246 175.961 176.600 -0.656 0.000 1.045 339 K CA 0.629 56.266 56.287 -1.083 0.000 0.988 339 K CB 0.260 31.900 32.500 -1.433 0.000 0.783 339 K HN 0.312 nan 8.250 nan 0.000 0.484 340 Y N 2.268 122.496 120.300 -0.120 0.000 2.812 340 Y HA 0.167 4.730 4.550 0.021 0.000 0.354 340 Y C -0.254 175.637 175.900 -0.015 0.000 1.276 340 Y CA -0.465 57.628 58.100 -0.011 0.000 1.639 340 Y CB -0.134 38.322 38.460 -0.007 0.000 1.741 340 Y HN -0.084 nan 8.280 nan 0.000 0.479 341 Q N 3.811 123.643 119.800 0.054 0.000 2.261 341 Q HA 0.240 4.594 4.340 0.022 0.000 0.252 341 Q C -2.265 173.771 176.000 0.059 0.000 0.915 341 Q CA -2.226 53.598 55.803 0.036 0.000 0.915 341 Q CB 0.974 29.728 28.738 0.027 0.000 1.204 341 Q HN 0.233 nan 8.270 nan 0.000 0.421 342 P HA -0.006 nan 4.420 nan 0.000 0.275 342 P C -0.825 176.495 177.300 0.033 0.000 1.228 342 P CA -0.232 62.893 63.100 0.041 0.000 0.786 342 P CB 0.839 32.553 31.700 0.023 0.000 0.927 343 Q N 0.515 120.338 119.800 0.038 0.000 2.584 343 Q HA 0.085 4.438 4.340 0.022 0.000 0.218 343 Q C 0.542 176.553 176.000 0.018 0.000 1.079 343 Q CA 0.065 55.886 55.803 0.030 0.000 1.008 343 Q CB -0.094 28.666 28.738 0.037 0.000 1.267 343 Q HN 0.346 nan 8.270 nan 0.000 0.586 344 Q N 0.312 120.120 119.800 0.013 0.000 2.269 344 Q HA 0.088 4.441 4.340 0.022 0.000 0.300 344 Q C 0.470 176.475 176.000 0.009 0.000 1.070 344 Q CA 1.487 57.294 55.803 0.007 0.000 0.957 344 Q CB -0.048 28.693 28.738 0.005 0.000 1.131 344 Q HN 0.830 nan 8.270 nan 0.000 0.377 345 G N 3.877 112.681 108.800 0.006 0.000 2.205 345 G HA2 -0.260 3.714 3.960 0.022 0.000 0.261 345 G HA3 -0.260 3.714 3.960 0.022 0.000 0.261 345 G C 0.037 174.941 174.900 0.007 0.000 0.980 345 G CA 0.455 45.559 45.100 0.006 0.000 0.632 345 G HN 0.600 nan 8.290 nan 0.000 0.533 346 E N 0.419 120.625 120.200 0.010 0.000 2.283 346 E HA 0.336 4.699 4.350 0.022 0.000 0.267 346 E C 0.225 176.831 176.600 0.010 0.000 1.045 346 E CA -0.811 55.596 56.400 0.012 0.000 0.884 346 E CB 0.712 30.424 29.700 0.020 0.000 1.106 346 E HN 0.236 nan 8.360 nan 0.000 0.408 347 N N 2.109 120.814 118.700 0.009 0.000 2.508 347 N HA -0.005 4.748 4.740 0.022 0.000 0.264 347 N C 1.264 176.790 175.510 0.026 0.000 1.216 347 N CA -0.035 53.023 53.050 0.014 0.000 0.943 347 N CB 0.756 39.248 38.487 0.007 0.000 1.113 347 N HN 0.576 nan 8.380 nan 0.000 0.447 348 I N 0.419 121.008 120.570 0.032 0.000 2.315 348 I HA -0.267 3.916 4.170 0.022 0.000 0.251 348 I C 2.007 178.173 176.117 0.082 0.000 1.125 348 I CA 1.737 63.063 61.300 0.043 0.000 1.392 348 I CB -1.069 36.925 38.000 -0.009 0.000 1.065 348 I HN 0.576 nan 8.210 nan 0.000 0.424 349 T N -1.233 113.378 114.554 0.094 0.000 2.778 349 T HA -0.195 4.168 4.350 0.022 0.000 0.269 349 T C 1.194 175.905 174.700 0.018 0.000 1.050 349 T CA 1.745 63.864 62.100 0.032 0.000 1.137 349 T CB -0.572 68.225 68.868 -0.118 0.000 0.860 349 T HN 0.473 nan 8.240 nan 0.000 0.468 350 D N 1.651 122.067 120.400 0.026 0.000 2.424 350 D HA 0.472 5.126 4.640 0.022 0.000 0.220 350 D C 0.595 176.929 176.300 0.057 0.000 1.150 350 D CA -0.022 53.996 54.000 0.030 0.000 0.831 350 D CB 0.164 40.974 40.800 0.018 0.000 0.981 350 D HN 0.663 nan 8.370 nan 0.000 0.500 351 A N 1.042 123.911 122.820 0.083 0.000 2.565 351 A HA 0.020 4.354 4.320 0.022 0.000 0.237 351 A C 0.789 178.462 177.584 0.148 0.000 1.053 351 A CA -0.051 52.062 52.037 0.128 0.000 0.755 351 A CB 0.206 19.322 19.000 0.193 0.000 0.980 351 A HN 0.035 nan 8.150 nan 0.000 0.506 352 N N 0.249 119.035 118.700 0.144 0.000 2.371 352 N HA 0.278 5.031 4.740 0.022 0.000 0.243 352 N C -0.217 175.432 175.510 0.232 0.000 1.287 352 N CA -0.042 53.092 53.050 0.140 0.000 0.911 352 N CB 0.279 38.830 38.487 0.108 0.000 1.142 352 N HN 0.452 nan 8.380 nan 0.000 0.451 353 I N 2.164 122.846 120.570 0.187 0.000 2.362 353 I HA 0.244 4.427 4.170 0.022 0.000 0.289 353 I C -2.149 174.065 176.117 0.162 0.000 0.994 353 I CA -2.436 59.030 61.300 0.277 0.000 1.158 353 I CB 1.189 39.307 38.000 0.197 0.000 1.315 353 I HN 0.225 nan 8.210 nan 0.000 0.451 354 P HA 0.124 nan 4.420 nan 0.000 0.232 354 P C 0.706 178.104 177.300 0.163 0.000 1.814 354 P CA -0.302 62.909 63.100 0.186 0.000 1.085 354 P CB 0.964 32.857 31.700 0.322 0.000 1.901 355 L N 2.957 124.210 121.223 0.050 0.000 2.072 355 L HA 0.146 4.499 4.340 0.022 0.000 0.205 355 L C 0.833 177.789 176.870 0.144 0.000 1.079 355 L CA 1.618 56.501 54.840 0.071 0.000 0.752 355 L CB -0.120 41.864 42.059 -0.124 0.000 0.906 355 L HN 0.134 nan 8.230 nan 0.000 0.436 356 I N 0.258 120.901 120.570 0.121 0.000 2.447 356 I HA 0.323 4.507 4.170 0.022 0.000 0.287 356 I C -0.372 175.783 176.117 0.064 0.000 1.023 356 I CA -0.465 60.916 61.300 0.136 0.000 1.083 356 I CB 1.466 39.555 38.000 0.149 0.000 1.245 356 I HN -0.061 nan 8.210 nan 0.000 0.434 357 R N 3.919 124.446 120.500 0.045 0.000 2.732 357 R HA 0.382 4.735 4.340 0.022 0.000 0.278 357 R C 0.700 176.970 176.300 -0.050 0.000 0.976 357 R CA -1.000 55.066 56.100 -0.057 0.000 0.963 357 R CB 2.069 32.320 30.300 -0.081 0.000 1.150 357 R HN 0.488 nan 8.270 nan 0.000 0.478 358 L N 1.668 122.825 121.223 -0.110 0.000 2.127 358 L HA -0.178 4.176 4.340 0.022 0.000 0.211 358 L C 1.766 178.697 176.870 0.102 0.000 1.089 358 L CA 1.972 56.798 54.840 -0.023 0.000 0.757 358 L CB -0.345 41.692 42.059 -0.037 0.000 0.899 358 L HN 0.638 nan 8.230 nan 0.000 0.434 359 S N -0.723 114.989 115.700 0.020 0.000 2.383 359 S HA -0.254 4.230 4.470 0.022 0.000 0.229 359 S C 1.882 176.562 174.600 0.134 0.000 1.030 359 S CA 1.464 59.711 58.200 0.079 0.000 1.002 359 S CB -0.317 62.920 63.200 0.061 0.000 0.829 359 S HN 0.612 nan 8.310 nan 0.000 0.467 360 E N 1.050 121.302 120.200 0.087 0.000 2.110 360 E HA -0.137 4.226 4.350 0.022 0.000 0.193 360 E C 2.147 178.794 176.600 0.078 0.000 0.988 360 E CA 0.925 57.370 56.400 0.074 0.000 0.804 360 E CB -0.215 29.524 29.700 0.065 0.000 0.745 360 E HN 0.494 nan 8.360 nan 0.000 0.458 361 A N 0.160 123.018 122.820 0.062 0.000 1.908 361 A HA -0.195 4.138 4.320 0.022 0.000 0.218 361 A C 1.864 179.395 177.584 -0.089 0.000 1.181 361 A CA 1.370 53.392 52.037 -0.026 0.000 0.627 361 A CB -0.868 18.086 19.000 -0.076 0.000 0.818 361 A HN 0.402 nan 8.150 nan 0.000 0.445 362 Y N -0.193 120.071 120.300 -0.059 0.000 2.145 362 Y HA -0.132 4.432 4.550 0.022 0.000 0.286 362 Y C 2.239 178.131 175.900 -0.014 0.000 1.145 362 Y CA 1.703 59.782 58.100 -0.035 0.000 1.148 362 Y CB -0.389 38.114 38.460 0.070 0.000 0.981 362 Y HN 0.190 nan 8.280 nan 0.000 0.507 363 L N -0.317 121.015 121.223 0.180 0.000 2.083 363 L HA -0.251 4.103 4.340 0.022 0.000 0.209 363 L C 1.879 178.804 176.870 0.091 0.000 1.083 363 L CA 1.095 56.014 54.840 0.132 0.000 0.752 363 L CB -0.462 41.666 42.059 0.115 0.000 0.899 363 L HN 0.254 nan 8.230 nan 0.000 0.433 364 N N 0.144 118.879 118.700 0.059 0.000 2.171 364 N HA -0.108 4.646 4.740 0.022 0.000 0.184 364 N C 1.894 177.403 175.510 -0.001 0.000 1.021 364 N CA 1.413 54.498 53.050 0.059 0.000 0.854 364 N CB -0.380 38.144 38.487 0.061 0.000 0.994 364 N HN 0.283 nan 8.380 nan 0.000 0.426 365 A N 1.061 123.795 122.820 -0.142 0.000 1.877 365 A HA 0.002 4.335 4.320 0.022 0.000 0.216 365 A C 2.354 179.894 177.584 -0.074 0.000 1.186 365 A CA 2.023 53.886 52.037 -0.290 0.000 0.620 365 A CB -1.016 17.402 19.000 -0.970 0.000 0.822 365 A HN 0.303 nan 8.150 nan 0.000 0.443 366 A N -0.290 122.549 122.820 0.032 0.000 1.883 366 A HA -0.245 4.088 4.320 0.022 0.000 0.217 366 A C 2.073 179.710 177.584 0.087 0.000 1.186 366 A CA 2.035 54.155 52.037 0.139 0.000 0.624 366 A CB -0.650 18.453 19.000 0.170 0.000 0.822 366 A HN 0.704 nan 8.150 nan 0.000 0.444 367 E N -0.284 119.962 120.200 0.076 0.000 2.051 367 E HA -0.111 4.253 4.350 0.022 0.000 0.192 367 E C 2.137 178.754 176.600 0.027 0.000 0.991 367 E CA 1.097 57.533 56.400 0.059 0.000 0.799 367 E CB -0.290 29.475 29.700 0.108 0.000 0.748 367 E HN 0.523 nan 8.360 nan 0.000 0.449 368 A N 1.193 124.062 122.820 0.083 0.000 1.902 368 A HA -0.101 4.232 4.320 0.022 0.000 0.217 368 A C 2.403 180.012 177.584 0.043 0.000 1.181 368 A CA 1.832 53.939 52.037 0.116 0.000 0.623 368 A CB -0.799 18.286 19.000 0.142 0.000 0.818 368 A HN 0.431 nan 8.150 nan 0.000 0.443 369 A N -0.596 122.254 122.820 0.049 0.000 1.902 369 A HA 0.009 4.342 4.320 0.022 0.000 0.217 369 A C 2.237 179.830 177.584 0.015 0.000 1.181 369 A CA 1.750 53.820 52.037 0.055 0.000 0.623 369 A CB -0.927 18.144 19.000 0.118 0.000 0.818 369 A HN 0.371 nan 8.150 nan 0.000 0.443 370 V N 0.185 120.096 119.914 -0.004 0.000 2.295 370 V HA -0.265 3.869 4.120 0.022 0.000 0.246 370 V C 2.617 178.651 176.094 -0.099 0.000 1.049 370 V CA 2.078 64.356 62.300 -0.037 0.000 1.024 370 V CB -0.720 31.084 31.823 -0.032 0.000 0.648 370 V HN 0.574 nan 8.190 nan 0.000 0.447 371 Q N 0.102 119.778 119.800 -0.206 0.000 2.369 371 Q HA -0.101 4.252 4.340 0.022 0.000 0.206 371 Q C 2.134 178.019 176.000 -0.192 0.000 0.963 371 Q CA 1.694 57.268 55.803 -0.382 0.000 0.894 371 Q CB -0.429 27.634 28.738 -1.125 0.000 0.965 371 Q HN 0.853 nan 8.270 nan 0.000 0.475 372 T N -4.045 110.468 114.554 -0.068 0.000 3.122 372 T HA 0.363 4.726 4.350 0.022 0.000 0.250 372 T C 1.189 175.890 174.700 0.003 0.000 1.067 372 T CA 0.440 62.543 62.100 0.004 0.000 0.966 372 T CB 0.416 69.311 68.868 0.044 0.000 1.002 372 T HN 0.335 nan 8.240 nan 0.000 0.542 373 G N 1.591 110.384 108.800 -0.013 0.000 2.143 373 G HA2 -0.225 3.748 3.960 0.022 0.000 0.248 373 G HA3 -0.225 3.748 3.960 0.022 0.000 0.248 373 G C -0.184 174.721 174.900 0.008 0.000 0.991 373 G CA 0.082 45.180 45.100 -0.003 0.000 0.689 373 G HN 0.646 nan 8.290 nan 0.000 0.522 374 D N 0.115 120.524 120.400 0.015 0.000 2.518 374 D HA 0.313 4.966 4.640 0.022 0.000 0.230 374 D C 1.324 177.640 176.300 0.027 0.000 1.138 374 D CA -0.594 53.421 54.000 0.025 0.000 0.964 374 D CB -0.033 40.790 40.800 0.038 0.000 1.011 374 D HN 0.162 nan 8.370 nan 0.000 0.517 375 N N 2.370 121.081 118.700 0.017 0.000 2.188 375 N HA -0.127 4.627 4.740 0.022 0.000 0.184 375 N C 1.670 177.190 175.510 0.017 0.000 1.018 375 N CA 1.492 54.552 53.050 0.017 0.000 0.858 375 N CB 0.162 38.654 38.487 0.009 0.000 0.989 375 N HN 0.327 nan 8.380 nan 0.000 0.426 376 A N 0.602 123.427 122.820 0.008 0.000 1.908 376 A HA -0.162 4.172 4.320 0.022 0.000 0.218 376 A C 2.142 179.716 177.584 -0.016 0.000 1.181 376 A CA 1.419 53.453 52.037 -0.006 0.000 0.627 376 A CB -0.502 18.491 19.000 -0.012 0.000 0.818 376 A HN 0.335 nan 8.150 nan 0.000 0.445 377 K N -0.642 119.763 120.400 0.008 0.000 2.057 377 K HA -0.020 4.313 4.320 0.022 0.000 0.206 377 K C 2.354 179.013 176.600 0.098 0.000 1.050 377 K CA 0.946 57.248 56.287 0.024 0.000 0.935 377 K CB -0.299 32.278 32.500 0.128 0.000 0.715 377 K HN 0.444 nan 8.250 nan 0.000 0.439 378 A N 0.998 123.882 122.820 0.107 0.000 1.908 378 A HA -0.152 4.182 4.320 0.022 0.000 0.218 378 A C 2.326 179.971 177.584 0.102 0.000 1.181 378 A CA 1.574 53.687 52.037 0.126 0.000 0.627 378 A CB -0.728 18.317 19.000 0.075 0.000 0.818 378 A HN 0.082 nan 8.150 nan 0.000 0.445 379 V N 0.424 120.366 119.914 0.046 0.000 2.295 379 V HA -0.297 3.836 4.120 0.022 0.000 0.246 379 V C 2.575 178.674 176.094 0.008 0.000 1.049 379 V CA 2.468 64.783 62.300 0.025 0.000 1.024 379 V CB -0.693 31.133 31.823 0.004 0.000 0.648 379 V HN 0.754 nan 8.190 nan 0.000 0.447 380 K N -0.769 119.595 120.400 -0.060 0.000 2.009 380 K HA -0.241 4.093 4.320 0.022 0.000 0.210 380 K C 2.206 178.736 176.600 -0.117 0.000 1.049 380 K CA 2.262 58.448 56.287 -0.167 0.000 0.929 380 K CB -0.371 31.917 32.500 -0.354 0.000 0.714 380 K HN 0.467 nan 8.250 nan 0.000 0.440 381 Y N 0.462 120.829 120.300 0.113 0.000 2.220 381 Y HA -0.118 4.445 4.550 0.022 0.000 0.291 381 Y C 2.134 178.166 175.900 0.220 0.000 1.129 381 Y CA 0.770 58.998 58.100 0.213 0.000 1.161 381 Y CB -0.462 38.072 38.460 0.123 0.000 0.997 381 Y HN 0.081 nan 8.280 nan 0.000 0.522 382 L N 0.416 121.800 121.223 0.268 0.000 2.083 382 L HA -0.202 4.152 4.340 0.022 0.000 0.209 382 L C 1.912 178.847 176.870 0.110 0.000 1.083 382 L CA 1.657 56.600 54.840 0.172 0.000 0.752 382 L CB -0.842 41.290 42.059 0.122 0.000 0.899 382 L HN 0.116 nan 8.230 nan 0.000 0.433 383 N N -1.126 117.623 118.700 0.081 0.000 2.223 383 N HA -0.155 4.599 4.740 0.022 0.000 0.185 383 N C 1.906 177.428 175.510 0.020 0.000 1.016 383 N CA 1.312 54.385 53.050 0.037 0.000 0.863 383 N CB -0.089 38.409 38.487 0.017 0.000 0.983 383 N HN 0.311 nan 8.380 nan 0.000 0.429 384 S N -0.023 115.697 115.700 0.033 0.000 2.383 384 S HA -0.067 4.417 4.470 0.022 0.000 0.229 384 S C 1.691 176.227 174.600 -0.108 0.000 1.030 384 S CA 0.668 58.830 58.200 -0.063 0.000 1.002 384 S CB -0.071 63.023 63.200 -0.177 0.000 0.829 384 S HN 0.296 nan 8.310 nan 0.000 0.467 385 I N 0.829 121.368 120.570 -0.051 0.000 2.277 385 I HA -0.023 4.160 4.170 0.022 0.000 0.243 385 I C 2.307 178.410 176.117 -0.022 0.000 1.094 385 I CA 0.728 62.006 61.300 -0.037 0.000 1.393 385 I CB -1.584 36.434 38.000 0.030 0.000 1.078 385 I HN 0.128 nan 8.210 nan 0.000 0.417 386 V N 0.966 120.879 119.914 -0.001 0.000 2.287 386 V HA -0.288 3.845 4.120 0.022 0.000 0.248 386 V C 2.540 178.621 176.094 -0.021 0.000 1.053 386 V CA 1.770 64.068 62.300 -0.004 0.000 1.027 386 V CB -0.773 31.056 31.823 0.009 0.000 0.646 386 V HN 0.479 nan 8.190 nan 0.000 0.447 387 Q N -0.859 118.928 119.800 -0.021 0.000 2.230 387 Q HA -0.125 4.228 4.340 0.022 0.000 0.202 387 Q C 2.491 178.473 176.000 -0.031 0.000 0.963 387 Q CA 0.636 56.425 55.803 -0.023 0.000 0.866 387 Q CB -0.203 28.524 28.738 -0.017 0.000 0.931 387 Q HN 0.416 nan 8.270 nan 0.000 0.452 388 R N 0.871 121.345 120.500 -0.044 0.000 2.092 388 R HA -0.073 4.281 4.340 0.022 0.000 0.231 388 R C 1.856 178.107 176.300 -0.082 0.000 1.119 388 R CA 1.350 57.423 56.100 -0.045 0.000 0.970 388 R CB -0.183 30.092 30.300 -0.041 0.000 0.864 388 R HN 0.234 nan 8.270 nan 0.000 0.440 389 A N 0.436 123.194 122.820 -0.103 0.000 1.929 389 A HA -0.068 4.266 4.320 0.022 0.000 0.216 389 A C 0.740 178.277 177.584 -0.077 0.000 1.176 389 A CA 1.096 53.053 52.037 -0.134 0.000 0.628 389 A CB -0.071 18.866 19.000 -0.106 0.000 0.816 389 A HN 0.401 nan 8.150 nan 0.000 0.444 390 N N -1.604 117.068 118.700 -0.047 0.000 2.655 390 N HA 0.200 4.954 4.740 0.022 0.000 0.277 390 N C -2.891 172.607 175.510 -0.020 0.000 1.177 390 N CA -1.546 51.487 53.050 -0.029 0.000 0.882 390 N CB 1.650 40.122 38.487 -0.026 0.000 1.481 390 N HN -0.146 nan 8.380 nan 0.000 0.547 391 P HA -0.017 nan 4.420 nan 0.000 0.234 391 P C 0.244 177.539 177.300 -0.009 0.000 1.167 391 P CA 0.923 64.017 63.100 -0.010 0.000 0.763 391 P CB 0.506 32.203 31.700 -0.005 0.000 0.835 392 E N -0.784 119.410 120.200 -0.009 0.000 2.371 392 E HA -0.002 4.362 4.350 0.022 0.000 0.194 392 E C 0.380 176.974 176.600 -0.009 0.000 1.012 392 E CA 0.117 56.512 56.400 -0.009 0.000 0.860 392 E CB -0.142 29.552 29.700 -0.009 0.000 0.811 392 E HN 0.337 nan 8.360 nan 0.000 0.502 393 N N 0.833 119.527 118.700 -0.011 0.000 2.493 393 N HA 0.215 4.968 4.740 0.022 0.000 0.275 393 N C -0.690 174.815 175.510 -0.007 0.000 1.186 393 N CA 0.034 53.078 53.050 -0.010 0.000 0.978 393 N CB 1.697 40.177 38.487 -0.012 0.000 1.184 393 N HN -0.124 nan 8.380 nan 0.000 0.487 394 S N -0.816 114.882 115.700 -0.004 0.000 2.542 394 S HA 0.306 4.789 4.470 0.022 0.000 0.276 394 S C -0.042 174.559 174.600 0.002 0.000 1.148 394 S CA -0.782 57.417 58.200 -0.002 0.000 0.886 394 S CB 0.465 63.663 63.200 -0.003 0.000 1.109 394 S HN 0.278 nan 8.310 nan 0.000 0.458 395 V N 0.568 120.486 119.914 0.006 0.000 3.542 395 V HA 0.494 4.628 4.120 0.022 0.000 0.296 395 V C 0.467 176.565 176.094 0.006 0.000 1.364 395 V CA -0.075 62.231 62.300 0.009 0.000 1.118 395 V CB -0.669 31.165 31.823 0.019 0.000 0.972 395 V HN 0.803 nan 8.190 nan 0.000 0.430 396 E N 1.656 121.857 120.200 0.002 0.000 2.452 396 E HA 0.349 4.712 4.350 0.022 0.000 0.261 396 E C 1.373 177.973 176.600 -0.001 0.000 0.987 396 E CA 1.008 57.407 56.400 -0.002 0.000 0.926 396 E CB 0.497 30.194 29.700 -0.005 0.000 0.934 396 E HN 0.717 nan 8.360 nan 0.000 0.452 397 G N 2.814 111.613 108.800 -0.002 0.000 2.179 397 G HA2 -0.238 3.735 3.960 0.022 0.000 0.260 397 G HA3 -0.238 3.735 3.960 0.022 0.000 0.260 397 G C 0.048 174.949 174.900 0.001 0.000 0.977 397 G CA 0.012 45.111 45.100 -0.001 0.000 0.641 397 G HN 0.343 nan 8.290 nan 0.000 0.533 398 K N 0.844 121.246 120.400 0.003 0.000 2.098 398 K HA 0.574 4.907 4.320 0.022 0.000 0.261 398 K C -0.088 176.515 176.600 0.005 0.000 0.987 398 K CA -0.283 56.007 56.287 0.004 0.000 0.916 398 K CB 1.189 33.693 32.500 0.007 0.000 1.039 398 K HN 0.074 nan 8.250 nan 0.000 0.455 399 T N 3.100 117.657 114.554 0.005 0.000 2.811 399 T HA 0.310 4.674 4.350 0.022 0.000 0.309 399 T C 0.525 175.229 174.700 0.006 0.000 1.005 399 T CA -0.512 61.591 62.100 0.005 0.000 0.955 399 T CB -0.075 68.794 68.868 0.002 0.000 0.970 399 T HN 0.205 nan 8.240 nan 0.000 0.496 400 L N 3.782 125.012 121.223 0.010 0.000 2.397 400 L HA 0.421 4.774 4.340 0.022 0.000 0.271 400 L C 1.316 178.190 176.870 0.007 0.000 1.148 400 L CA -0.466 54.383 54.840 0.014 0.000 0.825 400 L CB 0.573 42.647 42.059 0.025 0.000 1.117 400 L HN 0.632 nan 8.230 nan 0.000 0.456 401 T N -0.902 113.657 114.554 0.007 0.000 2.942 401 T HA 0.300 4.664 4.350 0.022 0.000 0.289 401 T C 0.655 175.356 174.700 0.001 0.000 1.044 401 T CA -0.881 61.218 62.100 -0.001 0.000 1.023 401 T CB 1.565 70.433 68.868 -0.000 0.000 1.123 401 T HN 0.415 nan 8.240 nan 0.000 0.512 402 L N 0.766 121.983 121.223 -0.010 0.000 2.042 402 L HA 0.016 4.369 4.340 0.022 0.000 0.210 402 L C 2.585 179.466 176.870 0.019 0.000 1.076 402 L CA 2.240 57.079 54.840 -0.003 0.000 0.749 402 L CB -1.072 40.976 42.059 -0.018 0.000 0.893 402 L HN 0.995 nan 8.230 nan 0.000 0.432 403 E N -0.571 119.638 120.200 0.014 0.000 2.118 403 E HA -0.265 4.099 4.350 0.022 0.000 0.195 403 E C 1.929 178.547 176.600 0.031 0.000 0.992 403 E CA 1.649 58.062 56.400 0.021 0.000 0.804 403 E CB -0.186 29.520 29.700 0.011 0.000 0.741 403 E HN 0.726 nan 8.360 nan 0.000 0.458 404 N N -0.456 118.260 118.700 0.026 0.000 2.069 404 N HA -0.188 4.565 4.740 0.022 0.000 0.191 404 N C 1.884 177.422 175.510 0.047 0.000 1.031 404 N CA 1.522 54.592 53.050 0.032 0.000 0.852 404 N CB 0.021 38.523 38.487 0.026 0.000 1.018 404 N HN 0.015 nan 8.380 nan 0.000 0.423 405 V N 1.590 121.534 119.914 0.051 0.000 2.307 405 V HA -0.161 3.972 4.120 0.022 0.000 0.245 405 V C 2.156 178.299 176.094 0.081 0.000 1.045 405 V CA 1.337 63.678 62.300 0.068 0.000 1.024 405 V CB -0.523 31.341 31.823 0.068 0.000 0.651 405 V HN 0.305 nan 8.190 nan 0.000 0.449 406 L N -0.210 121.060 121.223 0.078 0.000 2.191 406 L HA -0.159 4.194 4.340 0.022 0.000 0.212 406 L C 2.200 179.131 176.870 0.102 0.000 1.103 406 L CA 1.243 56.140 54.840 0.094 0.000 0.769 406 L CB -0.636 41.474 42.059 0.085 0.000 0.908 406 L HN 0.340 nan 8.230 nan 0.000 0.438 407 D N -0.372 120.079 120.400 0.086 0.000 2.224 407 D HA -0.162 4.491 4.640 0.022 0.000 0.205 407 D C 2.081 178.441 176.300 0.099 0.000 0.965 407 D CA 0.816 54.871 54.000 0.091 0.000 0.852 407 D CB 0.229 41.066 40.800 0.062 0.000 0.947 407 D HN 0.228 nan 8.370 nan 0.000 0.494 408 E N 0.862 121.116 120.200 0.089 0.000 2.076 408 E HA -0.055 4.308 4.350 0.022 0.000 0.190 408 E C 2.000 178.672 176.600 0.120 0.000 0.979 408 E CA 0.598 57.054 56.400 0.093 0.000 0.807 408 E CB 0.043 29.791 29.700 0.079 0.000 0.761 408 E HN 0.054 nan 8.360 nan 0.000 0.454 409 R N 0.571 121.144 120.500 0.120 0.000 2.091 409 R HA -0.170 4.183 4.340 0.022 0.000 0.238 409 R C 2.434 178.826 176.300 0.152 0.000 1.136 409 R CA 1.896 58.071 56.100 0.124 0.000 0.959 409 R CB -0.259 30.110 30.300 0.116 0.000 0.856 409 R HN 0.212 nan 8.270 nan 0.000 0.437 410 R N 0.260 120.869 120.500 0.182 0.000 2.115 410 R HA -0.081 4.273 4.340 0.022 0.000 0.226 410 R C 1.657 178.162 176.300 0.342 0.000 1.100 410 R CA 1.343 57.580 56.100 0.229 0.000 0.980 410 R CB -0.220 30.228 30.300 0.247 0.000 0.875 410 R HN 0.160 nan 8.270 nan 0.000 0.445 411 K N 0.520 121.123 120.400 0.339 0.000 2.062 411 K HA -0.122 4.211 4.320 0.022 0.000 0.205 411 K C 1.984 178.775 176.600 0.318 0.000 1.051 411 K CA 1.497 58.011 56.287 0.378 0.000 0.941 411 K CB 0.017 32.630 32.500 0.190 0.000 0.719 411 K HN 0.095 nan 8.250 nan 0.000 0.440 412 E N 0.970 121.316 120.200 0.243 0.000 2.158 412 E HA -0.041 4.322 4.350 0.022 0.000 0.191 412 E C 1.176 177.946 176.600 0.284 0.000 0.982 412 E CA 0.959 57.518 56.400 0.264 0.000 0.823 412 E CB 0.206 30.028 29.700 0.203 0.000 0.766 412 E HN 0.170 nan 8.360 nan 0.000 0.468 413 L N 0.251 121.598 121.223 0.207 0.000 2.857 413 L HA 0.292 4.645 4.340 0.022 0.000 0.249 413 L C 0.294 177.278 176.870 0.190 0.000 1.172 413 L CA -0.525 54.423 54.840 0.180 0.000 0.980 413 L CB 1.052 43.115 42.059 0.008 0.000 1.299 413 L HN -0.051 nan 8.230 nan 0.000 0.535 414 V N 1.860 121.852 119.914 0.130 0.000 2.644 414 V HA 0.059 4.192 4.120 0.022 0.000 0.305 414 V C 1.348 177.468 176.094 0.043 0.000 1.053 414 V CA 1.020 63.311 62.300 -0.015 0.000 1.186 414 V CB 0.763 32.453 31.823 -0.223 0.000 0.895 414 V HN 0.629 nan 8.190 nan 0.000 0.490 415 A N 3.749 126.604 122.820 0.058 0.000 3.021 415 A HA -0.213 4.120 4.320 0.022 0.000 0.257 415 A C 0.938 178.697 177.584 0.291 0.000 1.277 415 A CA 1.538 53.667 52.037 0.155 0.000 1.012 415 A CB -2.090 17.004 19.000 0.157 0.000 1.147 415 A HN 1.013 nan 8.150 nan 0.000 0.861 416 E N -1.345 119.036 120.200 0.303 0.000 2.548 416 E HA 0.414 4.777 4.350 0.022 0.000 0.206 416 E C 1.098 177.936 176.600 0.397 0.000 1.005 416 E CA 0.360 56.999 56.400 0.398 0.000 0.951 416 E CB 0.386 30.345 29.700 0.432 0.000 1.035 416 E HN 1.762 nan 8.360 nan 0.000 0.470 417 G N 1.442 110.428 108.800 0.310 0.000 2.140 417 G HA2 -0.252 3.721 3.960 0.022 0.000 0.211 417 G HA3 -0.252 3.721 3.960 0.022 0.000 0.211 417 G C 0.437 175.450 174.900 0.188 0.000 1.013 417 G CA 0.077 45.305 45.100 0.213 0.000 0.705 417 G HN 0.419 nan 8.290 nan 0.000 0.508 418 H N -1.142 118.112 119.070 0.306 0.000 2.615 418 H HA 0.171 4.739 4.556 0.021 0.000 0.275 418 H C 2.127 177.643 175.328 0.313 0.000 0.981 418 H CA 0.668 56.947 56.048 0.383 0.000 1.252 418 H CB 0.520 30.472 29.762 0.316 0.000 1.447 418 H HN 0.430 nan 8.280 nan 0.000 0.498 422 D N 0.585 121.158 120.400 0.289 0.000 2.149 422 D HA -0.057 4.597 4.640 0.022 0.000 0.201 422 D C 2.130 178.498 176.300 0.114 0.000 0.972 422 D CA 1.617 55.720 54.000 0.171 0.000 0.835 422 D CB 0.089 41.027 40.800 0.230 0.000 0.966 422 D HN 0.183 nan 8.370 nan 0.000 0.476 423 V N 1.619 121.604 119.914 0.117 0.000 2.270 423 V HA -0.192 3.941 4.120 0.022 0.000 0.245 423 V C 2.502 178.625 176.094 0.047 0.000 1.043 423 V CA 0.979 63.315 62.300 0.060 0.000 1.014 423 V CB -0.214 31.632 31.823 0.038 0.000 0.645 423 V HN 0.164 nan 8.190 nan 0.000 0.447 424 I N 1.074 121.717 120.570 0.121 0.000 2.315 424 I HA -0.191 3.992 4.170 0.022 0.000 0.248 424 I C 2.721 178.980 176.117 0.236 0.000 1.117 424 I CA 1.844 63.248 61.300 0.173 0.000 1.404 424 I CB -1.121 37.065 38.000 0.310 0.000 1.071 424 I HN 0.505 nan 8.210 nan 0.000 0.419 425 R N 0.778 121.402 120.500 0.207 0.000 2.235 425 R HA -0.046 4.307 4.340 0.022 0.000 0.213 425 R C 1.051 177.499 176.300 0.248 0.000 1.059 425 R CA 1.011 57.249 56.100 0.231 0.000 0.997 425 R CB -0.418 29.828 30.300 -0.090 0.000 0.884 425 R HN 0.296 nan 8.270 nan 0.000 0.462 426 N N 0.942 119.712 118.700 0.116 0.000 2.268 426 N HA 0.102 4.856 4.740 0.022 0.000 0.204 426 N C 0.291 175.736 175.510 -0.108 0.000 1.124 426 N CA 0.959 54.054 53.050 0.075 0.000 0.838 426 N CB 1.069 39.587 38.487 0.051 0.000 0.994 426 N HN 0.483 nan 8.380 nan 0.000 0.489 430 V N 4.006 123.717 119.914 -0.338 0.000 2.521 430 V HA 0.314 4.447 4.120 0.022 0.000 0.286 430 V C 0.300 176.097 176.094 -0.495 0.000 1.034 430 V CA 0.166 62.207 62.300 -0.432 0.000 1.045 430 V CB 0.608 32.038 31.823 -0.654 0.000 0.974 430 V HN 0.671 nan 8.190 nan 0.000 0.480 431 K N 5.597 125.834 120.400 -0.272 0.000 2.572 431 K HA 0.446 4.779 4.320 0.022 0.000 0.244 431 K C -0.391 176.139 176.600 -0.118 0.000 0.965 431 K CA -0.637 55.530 56.287 -0.199 0.000 0.943 431 K CB 1.672 34.096 32.500 -0.127 0.000 1.154 431 K HN 0.562 nan 8.250 nan 0.000 0.447 432 R N 2.297 122.709 120.500 -0.145 0.000 2.442 432 R HA 0.273 4.627 4.340 0.022 0.000 0.291 432 R C -0.054 176.188 176.300 -0.096 0.000 1.069 432 R CA 0.198 56.214 56.100 -0.140 0.000 1.022 432 R CB 0.449 30.523 30.300 -0.378 0.000 0.976 432 R HN 0.442 nan 8.270 nan 0.000 0.443 433 I N 1.969 122.570 120.570 0.053 0.000 2.389 433 I HA 0.094 4.278 4.170 0.022 0.000 0.288 433 I C -0.447 175.798 176.117 0.213 0.000 0.999 433 I CA -0.606 60.752 61.300 0.096 0.000 1.129 433 I CB 1.867 39.927 38.000 0.100 0.000 1.288 433 I HN 0.420 nan 8.210 nan 0.000 0.444 434 D N 6.891 127.391 120.400 0.166 0.000 2.494 434 D HA 0.316 4.969 4.640 0.022 0.000 0.217 434 D C -0.506 175.872 176.300 0.130 0.000 1.153 434 D CA -0.009 54.121 54.000 0.217 0.000 0.954 434 D CB 0.586 41.487 40.800 0.168 0.000 1.034 434 D HN 0.229 nan 8.370 nan 0.000 0.518 435 V N 0.421 120.411 119.914 0.128 0.000 2.994 435 V HA 0.689 4.822 4.120 0.022 0.000 0.318 435 V C 0.015 176.154 176.094 0.074 0.000 1.085 435 V CA -0.960 61.391 62.300 0.085 0.000 0.998 435 V CB 2.302 34.172 31.823 0.077 0.000 1.063 435 V HN -0.008 nan 8.190 nan 0.000 0.447 436 K N 1.117 121.551 120.400 0.056 0.000 2.221 436 K HA 0.619 4.953 4.320 0.022 0.000 0.243 436 K C -1.290 175.345 176.600 0.058 0.000 0.968 436 K CA -0.387 55.928 56.287 0.046 0.000 0.846 436 K CB 2.021 34.539 32.500 0.030 0.000 1.141 436 K HN 0.969 nan 8.250 nan 0.000 0.434 437 D N -0.009 120.431 120.400 0.067 0.000 2.964 437 D HA 0.063 4.717 4.640 0.022 0.000 0.234 437 D C 0.602 176.947 176.300 0.075 0.000 1.223 437 D CA -0.188 53.871 54.000 0.098 0.000 0.889 437 D CB 1.706 42.629 40.800 0.206 0.000 1.609 437 D HN 0.446 nan 8.370 nan 0.000 0.523 438 S N 2.242 117.978 115.700 0.060 0.000 2.447 438 S HA -0.123 4.360 4.470 0.022 0.000 0.233 438 S C 0.933 175.554 174.600 0.034 0.000 1.006 438 S CA 0.760 58.981 58.200 0.035 0.000 0.957 438 S CB 0.143 63.355 63.200 0.020 0.000 0.773 438 S HN 0.415 nan 8.310 nan 0.000 0.507 439 D N 2.093 122.535 120.400 0.070 0.000 2.312 439 D HA 0.084 4.738 4.640 0.022 0.000 0.211 439 D C 0.934 177.249 176.300 0.024 0.000 0.964 439 D CA 0.766 54.788 54.000 0.037 0.000 0.877 439 D CB -0.094 40.768 40.800 0.103 0.000 0.924 439 D HN 0.757 nan 8.370 nan 0.000 0.515 440 I N -0.774 119.814 120.570 0.030 0.000 2.925 440 I HA 0.274 4.458 4.170 0.022 0.000 0.296 440 I C 0.279 176.349 176.117 -0.079 0.000 1.413 440 I CA -0.741 60.537 61.300 -0.035 0.000 0.932 440 I CB 0.568 38.515 38.000 -0.089 0.000 1.873 440 I HN -0.332 nan 8.210 nan 0.000 0.619 441 N N 2.192 120.863 118.700 -0.048 0.000 2.461 441 N HA -0.055 4.699 4.740 0.022 0.000 0.188 441 N C 0.877 176.299 175.510 -0.147 0.000 1.134 441 N CA 0.425 53.444 53.050 -0.052 0.000 0.878 441 N CB 0.045 38.536 38.487 0.007 0.000 0.972 441 N HN 0.545 nan 8.380 nan 0.000 0.456 442 K N -0.813 119.387 120.400 -0.334 0.000 2.374 442 K HA 0.133 4.466 4.320 0.022 0.000 0.196 442 K C -0.287 176.118 176.600 -0.325 0.000 1.023 442 K CA 0.122 56.136 56.287 -0.456 0.000 1.103 442 K CB 0.447 32.444 32.500 -0.839 0.000 0.848 442 K HN 0.086 nan 8.250 nan 0.000 0.528 443 T N 3.568 117.968 114.554 -0.258 0.000 2.723 443 T HA 0.164 4.527 4.350 0.022 0.000 0.297 443 T C -0.328 174.328 174.700 -0.073 0.000 0.925 443 T CA -0.231 61.821 62.100 -0.079 0.000 1.030 443 T CB 0.394 69.223 68.868 -0.066 0.000 0.905 443 T HN 0.224 nan 8.240 nan 0.000 0.502 444 K N 1.876 122.237 120.400 -0.065 0.000 2.551 444 K HA 0.446 4.779 4.320 0.022 0.000 0.269 444 K C -1.092 175.471 176.600 -0.062 0.000 0.949 444 K CA -1.134 55.121 56.287 -0.053 0.000 0.849 444 K CB 1.254 33.759 32.500 0.007 0.000 1.411 444 K HN 0.328 nan 8.250 nan 0.000 0.432 445 H N 1.236 120.376 119.070 0.117 0.000 2.771 445 H HA 0.141 4.717 4.556 0.033 0.000 0.364 445 H C -0.533 174.909 175.328 0.189 0.000 1.133 445 H CA 0.371 56.546 56.048 0.211 0.000 1.423 445 H CB 1.155 31.048 29.762 0.217 0.000 1.425 445 H HN 0.655 nan 8.280 nan 0.000 0.606 446 N N 1.155 120.117 118.700 0.437 0.000 2.824 446 N HA 0.069 4.823 4.740 0.022 0.000 0.224 446 N C -1.658 173.990 175.510 0.229 0.000 1.418 446 N CA -0.183 53.027 53.050 0.267 0.000 0.743 446 N CB 0.833 39.448 38.487 0.213 0.000 1.395 446 N HN 0.630 nan 8.380 nan 0.000 0.548 447 T N -0.332 114.282 114.554 0.099 0.000 2.942 447 T HA 0.591 4.955 4.350 0.022 0.000 0.327 447 T C 0.417 175.051 174.700 -0.110 0.000 1.360 447 T CA 0.116 62.185 62.100 -0.051 0.000 1.055 447 T CB 0.969 69.711 68.868 -0.210 0.000 1.261 447 T HN 0.210 nan 8.240 nan 0.000 0.485 448 A N 2.608 125.274 122.820 -0.256 0.000 2.119 448 A HA 0.306 4.640 4.320 0.022 0.000 0.217 448 A C -0.038 177.231 177.584 -0.526 0.000 1.153 448 A CA 1.071 52.827 52.037 -0.468 0.000 0.692 448 A CB -0.381 18.168 19.000 -0.752 0.000 0.799 448 A HN 0.694 nan 8.150 nan 0.000 0.458 452 Y N -0.093 120.076 120.300 -0.218 0.000 2.565 452 Y HA 0.607 5.169 4.550 0.020 0.000 0.330 452 Y C -1.130 174.716 175.900 -0.091 0.000 1.150 452 Y CA -1.240 56.704 58.100 -0.259 0.000 1.055 452 Y CB 0.944 39.057 38.460 -0.579 0.000 1.337 452 Y HN 0.476 nan 8.280 nan 0.000 0.457 453 D N 0.173 120.644 120.400 0.117 0.000 2.723 453 D HA 0.246 4.900 4.640 0.022 0.000 0.247 453 D C 0.415 176.885 176.300 0.282 0.000 1.134 453 D CA -0.698 53.339 54.000 0.062 0.000 1.099 453 D CB 0.014 40.737 40.800 -0.127 0.000 1.287 453 D HN 0.670 nan 8.370 nan 0.000 0.634 454 W N -0.259 121.129 121.300 0.146 0.000 2.961 454 W HA 0.265 4.938 4.660 0.022 0.000 0.240 454 W C 0.203 176.743 176.519 0.035 0.000 1.305 454 W CA -0.406 57.034 57.345 0.158 0.000 1.465 454 W CB -1.482 28.055 29.460 0.129 0.000 1.135 454 W HN 0.104 nan 8.180 nan 0.000 0.688 455 N N 0.378 119.355 118.700 0.461 0.000 2.412 455 N HA -0.063 4.690 4.740 0.022 0.000 0.184 455 N C -0.252 175.430 175.510 0.287 0.000 1.101 455 N CA 0.097 53.286 53.050 0.231 0.000 0.881 455 N CB -0.273 38.336 38.487 0.203 0.000 0.969 455 N HN 0.025 nan 8.380 nan 0.000 0.459 456 F N 4.231 124.263 119.950 0.137 0.000 2.471 456 F HA 0.039 4.578 4.527 0.021 0.000 0.365 456 F C 1.930 177.751 175.800 0.034 0.000 1.095 456 F CA -1.240 56.763 58.000 0.004 0.000 1.174 456 F CB 0.330 39.245 39.000 -0.142 0.000 1.105 456 F HN 0.143 nan 8.300 nan 0.000 0.535 457 H N 4.637 123.604 119.070 -0.171 0.000 2.491 457 H HA -0.038 4.532 4.556 0.023 0.000 0.290 457 H C 0.465 175.473 175.328 -0.534 0.000 1.050 457 H CA 1.436 57.358 56.048 -0.210 0.000 1.309 457 H CB -0.063 29.569 29.762 -0.216 0.000 1.392 457 H HN 0.630 nan 8.280 nan 0.000 0.554 458 K N 1.400 120.739 120.400 -1.769 0.000 2.417 458 K HA 0.148 4.481 4.320 0.022 0.000 0.196 458 K C 2.088 178.206 176.600 -0.804 0.000 1.023 458 K CA 0.390 55.867 56.287 -1.351 0.000 1.122 458 K CB 0.267 31.822 32.500 -1.576 0.000 0.850 458 K HN 0.435 nan 8.250 nan 0.000 0.521 459 I N -1.559 118.621 120.570 -0.650 0.000 2.567 459 I HA -0.085 4.098 4.170 0.022 0.000 0.257 459 I C 0.393 176.566 176.117 0.095 0.000 1.184 459 I CA 0.773 62.041 61.300 -0.053 0.000 1.451 459 I CB -0.259 37.843 38.000 0.169 0.000 1.089 459 I HN -0.067 nan 8.210 nan 0.000 0.441 460 L N 2.204 123.422 121.223 -0.009 0.000 2.325 460 L HA 0.456 4.809 4.340 0.022 0.000 0.279 460 L C -0.048 176.828 176.870 0.011 0.000 1.054 460 L CA -0.773 54.054 54.840 -0.022 0.000 0.804 460 L CB 1.711 43.701 42.059 -0.114 0.000 1.200 460 L HN 0.092 nan 8.230 nan 0.000 0.436 461 L N 4.013 125.115 121.223 -0.202 0.000 2.467 461 L HA 0.226 4.579 4.340 0.022 0.000 0.270 461 L C -1.858 174.865 176.870 -0.245 0.000 1.205 461 L CA -1.548 53.127 54.840 -0.275 0.000 0.828 461 L CB 0.454 42.149 42.059 -0.607 0.000 1.101 461 L HN 0.365 nan 8.230 nan 0.000 0.479 462 P HA 0.076 nan 4.420 nan 0.000 0.274 462 P C -0.600 176.567 177.300 -0.222 0.000 1.237 462 P CA -0.472 62.209 63.100 -0.698 0.000 0.793 462 P CB 0.622 31.659 31.700 -1.104 0.000 0.977 463 I N 2.754 123.165 120.570 -0.265 0.000 2.683 463 I HA 0.063 4.246 4.170 0.022 0.000 0.286 463 I C -1.855 173.972 176.117 -0.482 0.000 1.175 463 I CA -2.131 58.871 61.300 -0.497 0.000 1.429 463 I CB -0.950 36.726 38.000 -0.540 0.000 1.371 463 I HN 0.193 nan 8.210 nan 0.000 0.569 464 P HA 0.070 nan 4.420 nan 0.000 0.269 464 P C 0.750 177.845 177.300 -0.342 0.000 1.209 464 P CA -0.266 62.597 63.100 -0.395 0.000 0.776 464 P CB 0.790 32.262 31.700 -0.380 0.000 0.876 465 K N 3.797 124.067 120.400 -0.217 0.000 2.032 465 K HA -0.222 4.111 4.320 0.022 0.000 0.209 465 K C 1.774 178.281 176.600 -0.155 0.000 1.048 465 K CA 1.883 58.074 56.287 -0.160 0.000 0.927 465 K CB -0.153 32.287 32.500 -0.100 0.000 0.712 465 K HN 0.402 nan 8.250 nan 0.000 0.441 466 K N 0.502 120.817 120.400 -0.140 0.000 2.103 466 K HA -0.189 4.145 4.320 0.022 0.000 0.207 466 K C 1.061 177.575 176.600 -0.142 0.000 1.048 466 K CA 1.189 57.410 56.287 -0.110 0.000 0.930 466 K CB -0.240 32.217 32.500 -0.072 0.000 0.716 466 K HN 0.109 nan 8.250 nan 0.000 0.444 470 A N 0.235 123.013 122.820 -0.070 0.000 2.021 470 A HA 0.071 4.404 4.320 0.022 0.000 0.216 470 A C 0.963 178.516 177.584 -0.052 0.000 1.163 470 A CA 1.006 53.010 52.037 -0.055 0.000 0.676 470 A CB -0.039 18.930 19.000 -0.051 0.000 0.818 470 A HN 0.094 nan 8.150 nan 0.000 0.453 471 N N -0.028 118.635 118.700 -0.063 0.000 2.626 471 N HA 0.301 5.054 4.740 0.022 0.000 0.249 471 N C -2.262 173.217 175.510 -0.052 0.000 1.021 471 N CA -1.920 51.098 53.050 -0.054 0.000 0.886 471 N CB 1.443 39.897 38.487 -0.055 0.000 1.149 471 N HN -0.050 nan 8.380 nan 0.000 0.517 472 P HA -0.012 nan 4.420 nan 0.000 0.228 472 P C -0.243 177.039 177.300 -0.029 0.000 1.151 472 P CA 0.766 63.846 63.100 -0.034 0.000 0.770 472 P CB 0.379 32.063 31.700 -0.027 0.000 0.786 476 Q N 2.171 121.956 119.800 -0.025 0.000 2.421 476 Q HA 0.207 4.560 4.340 0.022 0.000 0.255 476 Q C -0.444 175.584 176.000 0.046 0.000 1.013 476 Q CA 0.375 56.168 55.803 -0.017 0.000 0.895 476 Q CB 0.629 29.367 28.738 0.000 0.000 1.271 476 Q HN 0.508 nan 8.270 nan 0.000 0.460 477 N N 3.337 122.086 118.700 0.082 0.000 2.479 477 N HA 0.174 4.927 4.740 0.022 0.000 0.257 477 N C -2.372 173.276 175.510 0.230 0.000 1.232 477 N CA -0.968 52.180 53.050 0.163 0.000 0.920 477 N CB 0.074 38.683 38.487 0.204 0.000 1.105 477 N HN 0.482 nan 8.380 nan 0.000 0.444 478 P HA 0.064 nan 4.420 nan 0.000 0.267 478 P C 0.730 178.018 177.300 -0.019 0.000 1.200 478 P CA 0.304 63.466 63.100 0.104 0.000 0.772 478 P CB 0.364 32.156 31.700 0.153 0.000 0.855 479 G N 1.337 110.025 108.800 -0.186 0.000 2.184 479 G HA2 -0.337 3.636 3.960 0.022 0.000 0.264 479 G HA3 -0.337 3.636 3.960 0.022 0.000 0.264 479 G C 0.548 175.148 174.900 -0.500 0.000 0.975 479 G CA 0.212 44.960 45.100 -0.587 0.000 0.642 479 G HN 0.491 nan 8.290 nan 0.000 0.536 480 Y N -0.668 119.599 120.300 -0.055 0.000 2.507 480 Y HA 0.495 5.058 4.550 0.021 0.000 0.263 480 Y C 1.784 177.680 175.900 -0.007 0.000 1.093 480 Y CA 0.417 58.526 58.100 0.016 0.000 1.285 480 Y CB 0.644 39.130 38.460 0.043 0.000 1.115 480 Y HN 0.286 nan 8.280 nan 0.000 0.533 481 V N 1.443 121.430 119.914 0.120 0.000 2.498 481 V HA 0.548 4.681 4.120 0.022 0.000 0.279 481 V C -0.278 175.825 176.094 0.015 0.000 1.048 481 V CA 0.380 62.713 62.300 0.056 0.000 0.967 481 V CB 0.312 32.155 31.823 0.034 0.000 0.988 481 V HN 0.329 nan 8.190 nan 0.000 0.473 482 D N 0.000 120.410 120.400 0.017 0.000 6.856 482 D HA 0.000 4.653 4.640 0.022 0.000 0.175 482 D CA 0.000 54.000 54.000 0.001 0.000 0.868 482 D CB 0.000 40.804 40.800 0.007 0.000 0.688 482 D HN 0.000 nan 8.370 nan 0.000 0.683