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 2wuz_1_A DATA FIRST_RESID 27 DATA SEQUENCE TRPTDPPVYP VTVPFLGHIV QFGKNPLEFM QRCKRDLKSG VFTISIGGQR DATA SEQUENCE VTIVGDPHEH SRFFSPRNEI LSPREVYTIM TPVFGEGVAY AAPYPRMREQ DATA SEQUENCE LNFLAEELTI AKFQNFVPAI QHEVRKFMAE NWKEDEGVIN LLEDCGAMII DATA SEQUENCE NTACQCLFGE DLRKRLNARH FAQLLSKMES SLIPAAVFMP WLLRLPLPQS DATA SEQUENCE ARCREARAEL QKILGEIIVA REKEXXXXXX NTSDLLGGLL KAVYRDGTRM DATA SEQUENCE SLHEVCGMIV AAMFAGQHTS TITTSWSMLH LMHPKNKKWL DKLHKEIDEF DATA SEQUENCE PAQLNYDNVM DEMPFAERCV RESIRRDPPL LMVMRMVKAE VKVGSYVVPK DATA SEQUENCE GDIIACSPLL SHHDEEAFPN PRLWDPERDE KVDGAFIGFG AGVHKCIGQK DATA SEQUENCE FALLQVKTIL ATAFREYDFQ LLRDEVPDPD YHTMVVGPTL NQCLVKYTRK 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.714 174.700 0.024 0.000 1.109 27 T CA 0.000 62.112 62.100 0.020 0.000 1.349 27 T CB 0.000 68.880 68.868 0.020 0.000 0.612 28 R N 2.352 122.869 120.500 0.029 0.000 2.500 28 R HA 0.791 5.134 4.340 0.006 0.000 0.277 28 R C -2.265 174.063 176.300 0.046 0.000 1.026 28 R CA -1.892 54.228 56.100 0.035 0.000 1.058 28 R CB -1.082 29.239 30.300 0.036 0.000 1.078 28 R HN 0.462 nan 8.270 nan 0.000 0.509 29 P HA -0.020 nan 4.420 nan 0.000 0.239 29 P C 0.032 177.388 177.300 0.094 0.000 1.184 29 P CA 1.393 64.531 63.100 0.063 0.000 0.760 29 P CB 0.427 32.155 31.700 0.047 0.000 0.884 30 T N -3.523 111.091 114.554 0.099 0.000 3.444 30 T HA 0.412 4.765 4.350 0.006 0.000 0.265 30 T C -0.538 174.259 174.700 0.162 0.000 1.537 30 T CA -0.678 61.508 62.100 0.144 0.000 1.530 30 T CB -0.293 68.633 68.868 0.096 0.000 0.958 30 T HN -0.258 nan 8.240 nan 0.000 0.684 31 D N 1.983 122.479 120.400 0.160 0.000 2.738 31 D HA 0.502 5.145 4.640 0.006 0.000 0.237 31 D C -2.769 173.447 176.300 -0.140 0.000 1.123 31 D CA -1.763 52.257 54.000 0.033 0.000 0.856 31 D CB 2.121 42.928 40.800 0.012 0.000 1.552 31 D HN 0.091 nan 8.370 nan 0.000 0.480 32 P HA 0.124 nan 4.420 nan 0.000 0.266 32 P C -2.363 174.727 177.300 -0.349 0.000 1.195 32 P CA -0.785 61.795 63.100 -0.867 0.000 0.768 32 P CB -0.205 31.174 31.700 -0.535 0.000 0.838 33 P HA -0.066 nan 4.420 nan 0.000 0.265 33 P C -0.747 176.566 177.300 0.022 0.000 1.187 33 P CA 0.487 63.562 63.100 -0.042 0.000 0.766 33 P CB 0.331 32.041 31.700 0.017 0.000 0.820 34 V N 4.013 123.959 119.914 0.054 0.000 2.427 34 V HA 0.138 4.261 4.120 0.006 0.000 0.286 34 V C 0.279 176.467 176.094 0.157 0.000 1.034 34 V CA -0.815 61.554 62.300 0.115 0.000 0.893 34 V CB 0.451 32.327 31.823 0.088 0.000 0.982 34 V HN 0.423 nan 8.190 nan 0.000 0.452 35 Y N 7.627 127.974 120.300 0.078 0.000 2.526 35 Y HA 0.265 4.818 4.550 0.005 0.000 0.330 35 Y C -1.775 174.220 175.900 0.157 0.000 1.156 35 Y CA -1.993 56.121 58.100 0.024 0.000 1.419 35 Y CB 0.684 39.055 38.460 -0.149 0.000 1.250 35 Y HN 0.484 nan 8.280 nan 0.000 0.540 36 P HA 0.174 nan 4.420 nan 0.000 0.268 36 P C -0.783 176.577 177.300 0.099 0.000 1.204 36 P CA 0.169 63.204 63.100 -0.108 0.000 0.768 36 P CB 0.499 32.072 31.700 -0.213 0.000 0.842 37 V N 2.924 122.893 119.914 0.092 0.000 2.427 37 V HA 0.558 4.681 4.120 0.006 0.000 0.286 37 V C 0.878 176.966 176.094 -0.009 0.000 1.034 37 V CA -0.384 61.930 62.300 0.023 0.000 0.893 37 V CB 1.241 32.988 31.823 -0.127 0.000 0.982 37 V HN 0.674 nan 8.190 nan 0.000 0.452 38 T N 0.696 115.249 114.554 -0.001 0.000 2.938 38 T HA 0.628 4.981 4.350 0.006 0.000 0.285 38 T C 0.084 174.763 174.700 -0.035 0.000 1.028 38 T CA 0.075 62.167 62.100 -0.013 0.000 1.005 38 T CB 1.407 70.279 68.868 0.006 0.000 1.157 38 T HN 2.266 nan 8.240 nan 0.000 0.550 39 V N -0.960 118.937 119.914 -0.028 0.000 5.881 39 V HA -0.121 4.002 4.120 0.006 0.000 0.227 39 V C -1.696 174.363 176.094 -0.058 0.000 0.683 39 V CA -0.063 62.216 62.300 -0.035 0.000 0.747 39 V CB -2.512 29.294 31.823 -0.029 0.000 0.784 39 V HN 0.855 nan 8.190 nan 0.000 0.430 40 P HA -0.203 nan 4.420 nan 0.000 0.215 40 P C 1.874 179.140 177.300 -0.056 0.000 1.163 40 P CA 3.126 66.191 63.100 -0.058 0.000 0.894 40 P CB -0.069 31.608 31.700 -0.039 0.000 0.791 41 F N -0.663 119.268 119.950 -0.032 0.000 2.236 41 F HA -0.160 4.370 4.527 0.006 0.000 0.302 41 F C 2.207 178.003 175.800 -0.008 0.000 1.073 41 F CA 1.526 59.520 58.000 -0.009 0.000 1.336 41 F CB -1.997 37.006 39.000 0.006 0.000 1.040 41 F HN -0.095 nan 8.300 nan 0.000 0.507 42 L N -0.386 120.811 121.223 -0.042 0.000 2.249 42 L HA 0.111 4.454 4.340 0.006 0.000 0.207 42 L C 2.982 179.779 176.870 -0.122 0.000 1.090 42 L CA 0.801 55.605 54.840 -0.060 0.000 0.802 42 L CB -1.157 40.869 42.059 -0.055 0.000 0.947 42 L HN 0.365 nan 8.230 nan 0.000 0.453 43 G N 0.260 108.943 108.800 -0.194 0.000 2.586 43 G HA2 -0.295 3.668 3.960 0.006 0.000 0.218 43 G HA3 -0.295 3.668 3.960 0.006 0.000 0.218 43 G C 0.947 175.629 174.900 -0.364 0.000 1.216 43 G CA 1.071 45.978 45.100 -0.323 0.000 0.786 43 G HN 0.546 nan 8.290 nan 0.000 0.583 44 H N -0.708 118.310 119.070 -0.087 0.000 2.505 44 H HA 0.406 4.966 4.556 0.006 0.000 0.289 44 H C 1.852 176.993 175.328 -0.313 0.000 1.052 44 H CA -0.547 55.375 56.048 -0.209 0.000 1.156 44 H CB 0.572 30.216 29.762 -0.196 0.000 1.507 44 H HN 0.273 nan 8.280 nan 0.000 0.548 45 I N 0.406 120.889 120.570 -0.145 0.000 2.286 45 I HA -0.251 3.922 4.170 0.006 0.000 0.248 45 I C 1.461 177.526 176.117 -0.088 0.000 1.115 45 I CA 0.879 62.101 61.300 -0.131 0.000 1.392 45 I CB 0.152 38.086 38.000 -0.110 0.000 1.065 45 I HN 0.182 nan 8.210 nan 0.000 0.418 46 V N 0.813 120.671 119.914 -0.092 0.000 2.270 46 V HA -0.301 3.823 4.120 0.006 0.000 0.245 46 V C 2.335 178.352 176.094 -0.128 0.000 1.043 46 V CA 1.959 64.214 62.300 -0.076 0.000 1.014 46 V CB -0.805 30.991 31.823 -0.044 0.000 0.645 46 V HN 0.461 nan 8.190 nan 0.000 0.447 47 Q N -0.701 118.968 119.800 -0.219 0.000 2.020 47 Q HA -0.175 4.168 4.340 0.006 0.000 0.202 47 Q C 2.049 177.810 176.000 -0.399 0.000 0.982 47 Q CA 2.226 57.844 55.803 -0.308 0.000 0.838 47 Q CB -0.477 28.001 28.738 -0.433 0.000 0.899 47 Q HN 0.616 nan 8.270 nan 0.000 0.423 48 F N 0.965 120.442 119.950 -0.789 0.000 2.065 48 F HA -0.205 4.325 4.527 0.005 0.000 0.298 48 F C 2.120 177.776 175.800 -0.239 0.000 1.112 48 F CA 1.904 59.632 58.000 -0.454 0.000 1.212 48 F CB -0.798 37.970 39.000 -0.386 0.000 0.975 48 F HN 0.126 nan 8.300 nan 0.000 0.476 49 G N 0.013 108.815 108.800 0.004 0.000 2.513 49 G HA2 -0.392 3.572 3.960 0.006 0.000 0.219 49 G HA3 -0.392 3.572 3.960 0.006 0.000 0.219 49 G C 1.774 176.578 174.900 -0.160 0.000 1.160 49 G CA 1.276 46.355 45.100 -0.036 0.000 0.767 49 G HN 0.389 nan 8.290 nan 0.000 0.571 50 K N -0.531 119.767 120.400 -0.170 0.000 2.062 50 K HA -0.049 4.274 4.320 0.006 0.000 0.205 50 K C 0.296 176.780 176.600 -0.194 0.000 1.051 50 K CA 0.821 57.008 56.287 -0.166 0.000 0.941 50 K CB 0.086 32.526 32.500 -0.101 0.000 0.719 50 K HN 0.275 nan 8.250 nan 0.000 0.440 51 N N -0.536 118.006 118.700 -0.264 0.000 2.653 51 N HA 0.128 4.872 4.740 0.006 0.000 0.261 51 N C -2.496 172.701 175.510 -0.522 0.000 1.216 51 N CA -1.533 51.289 53.050 -0.381 0.000 0.784 51 N CB 1.651 40.026 38.487 -0.187 0.000 1.327 51 N HN -0.170 nan 8.380 nan 0.000 0.539 52 P HA -0.178 nan 4.420 nan 0.000 0.214 52 P C 1.742 178.689 177.300 -0.588 0.000 1.163 52 P CA 0.634 63.108 63.100 -1.043 0.000 0.889 52 P CB 0.614 31.566 31.700 -1.245 0.000 0.790 53 L N 0.853 121.707 121.223 -0.615 0.000 1.933 53 L HA -0.185 4.159 4.340 0.006 0.000 0.220 53 L C 2.461 179.161 176.870 -0.284 0.000 1.078 53 L CA 2.148 56.746 54.840 -0.403 0.000 0.773 53 L CB -1.839 39.975 42.059 -0.408 0.000 0.890 53 L HN -0.083 nan 8.230 nan 0.000 0.434 54 E N -0.944 119.111 120.200 -0.242 0.000 2.114 54 E HA -0.321 4.033 4.350 0.006 0.000 0.199 54 E C 2.219 178.734 176.600 -0.142 0.000 1.008 54 E CA 2.082 58.389 56.400 -0.155 0.000 0.810 54 E CB -0.451 29.191 29.700 -0.097 0.000 0.739 54 E HN 0.573 nan 8.360 nan 0.000 0.456 55 F N 0.426 120.218 119.950 -0.263 0.000 2.163 55 F HA -0.041 4.490 4.527 0.008 0.000 0.297 55 F C 2.355 178.002 175.800 -0.256 0.000 1.094 55 F CA 1.247 59.101 58.000 -0.243 0.000 1.290 55 F CB -0.252 38.629 39.000 -0.198 0.000 1.017 55 F HN -0.054 nan 8.300 nan 0.000 0.483 56 M N -0.223 119.150 119.600 -0.378 0.000 2.394 56 M HA -0.133 4.350 4.480 0.006 0.000 0.264 56 M C 1.872 177.934 176.300 -0.396 0.000 1.073 56 M CA 1.126 56.214 55.300 -0.354 0.000 1.111 56 M CB -0.278 32.351 32.600 0.049 0.000 1.401 56 M HN 0.244 nan 8.290 nan 0.000 0.448 57 Q N -0.489 119.119 119.800 -0.320 0.000 2.331 57 Q HA -0.075 4.269 4.340 0.006 0.000 0.203 57 Q C 1.965 177.774 176.000 -0.319 0.000 0.944 57 Q CA 0.698 56.348 55.803 -0.255 0.000 0.892 57 Q CB 0.007 28.649 28.738 -0.160 0.000 0.983 57 Q HN 0.506 nan 8.270 nan 0.000 0.482 58 R N 0.124 120.374 120.500 -0.417 0.000 2.093 58 R HA -0.053 4.291 4.340 0.006 0.000 0.224 58 R C 2.160 178.117 176.300 -0.572 0.000 1.101 58 R CA 0.992 56.859 56.100 -0.387 0.000 0.979 58 R CB -0.112 30.002 30.300 -0.309 0.000 0.877 58 R HN 0.195 nan 8.270 nan 0.000 0.441 59 C N 0.936 119.642 119.300 -0.990 0.000 2.432 59 C HA -0.061 4.403 4.460 0.006 0.000 0.277 59 C C 2.557 176.929 174.990 -1.031 0.000 1.249 59 C CA 1.041 59.314 59.018 -1.241 0.000 1.725 59 C CB -0.692 26.006 27.740 -1.735 0.000 2.028 59 C HN 0.544 nan 8.230 nan 0.000 0.477 60 K N 0.538 120.352 120.400 -0.976 0.000 2.032 60 K HA -0.167 4.157 4.320 0.006 0.000 0.209 60 K C 2.279 178.711 176.600 -0.280 0.000 1.048 60 K CA 1.542 57.509 56.287 -0.533 0.000 0.927 60 K CB -0.122 32.233 32.500 -0.241 0.000 0.712 60 K HN 0.457 nan 8.250 nan 0.000 0.441 61 R N 0.171 120.523 120.500 -0.247 0.000 2.062 61 R HA -0.056 4.288 4.340 0.006 0.000 0.229 61 R C 1.883 178.120 176.300 -0.105 0.000 1.128 61 R CA 1.521 57.538 56.100 -0.138 0.000 0.960 61 R CB -0.182 30.049 30.300 -0.114 0.000 0.855 61 R HN 0.289 nan 8.270 nan 0.000 0.432 62 D N 0.592 120.924 120.400 -0.115 0.000 2.224 62 D HA -0.070 4.573 4.640 0.006 0.000 0.205 62 D C 1.590 177.875 176.300 -0.026 0.000 0.965 62 D CA 0.985 54.962 54.000 -0.038 0.000 0.852 62 D CB 0.190 41.014 40.800 0.040 0.000 0.947 62 D HN 0.211 nan 8.370 nan 0.000 0.494 63 L N 0.217 121.402 121.223 -0.064 0.000 2.607 63 L HA 0.082 4.426 4.340 0.006 0.000 0.228 63 L C 0.254 177.118 176.870 -0.011 0.000 1.123 63 L CA -0.106 54.715 54.840 -0.031 0.000 0.890 63 L CB 0.159 42.189 42.059 -0.048 0.000 1.103 63 L HN -0.233 nan 8.230 nan 0.000 0.468 64 K N 0.156 120.539 120.400 -0.029 0.000 3.016 64 K HA -0.187 4.136 4.320 0.006 0.000 0.262 64 K C -0.014 176.612 176.600 0.043 0.000 1.043 64 K CA 0.621 56.909 56.287 0.002 0.000 0.761 64 K CB -2.068 30.441 32.500 0.015 0.000 1.230 64 K HN 0.315 nan 8.250 nan 0.000 0.485 65 S N -1.891 113.837 115.700 0.046 0.000 2.575 65 S HA 0.607 5.080 4.470 0.006 0.000 0.278 65 S C 1.228 175.931 174.600 0.172 0.000 1.139 65 S CA 0.018 58.302 58.200 0.139 0.000 0.954 65 S CB 1.776 65.094 63.200 0.197 0.000 1.054 65 S HN 0.270 nan 8.310 nan 0.000 0.483 66 G N 2.080 111.007 108.800 0.210 0.000 2.448 66 G HA2 0.098 4.061 3.960 0.006 0.000 0.218 66 G HA3 0.098 4.061 3.960 0.006 0.000 0.218 66 G C 0.059 175.154 174.900 0.326 0.000 1.135 66 G CA 0.609 45.860 45.100 0.252 0.000 0.784 66 G HN 0.644 nan 8.290 nan 0.000 0.543 67 V N 1.757 121.842 119.914 0.284 0.000 2.334 67 V HA 0.623 4.746 4.120 0.006 0.000 0.281 67 V C -0.625 175.498 176.094 0.048 0.000 1.016 67 V CA -0.842 61.522 62.300 0.107 0.000 0.832 67 V CB 0.190 32.105 31.823 0.153 0.000 0.999 67 V HN 0.321 nan 8.190 nan 0.000 0.439 68 F N 1.518 121.393 119.950 -0.125 0.000 2.726 68 F HA 0.907 5.438 4.527 0.005 0.000 0.324 68 F C -0.348 175.385 175.800 -0.111 0.000 1.140 68 F CA -0.956 56.956 58.000 -0.148 0.000 0.964 68 F CB 1.981 40.913 39.000 -0.114 0.000 1.399 68 F HN 0.121 nan 8.300 nan 0.000 0.491 69 T N 2.628 117.236 114.554 0.091 0.000 2.881 69 T HA 0.590 4.943 4.350 0.006 0.000 0.291 69 T C -0.359 174.448 174.700 0.177 0.000 0.990 69 T CA -0.551 61.564 62.100 0.025 0.000 0.976 69 T CB 1.087 69.956 68.868 0.002 0.000 0.970 69 T HN 0.749 nan 8.240 nan 0.000 0.438 70 I N -0.128 120.535 120.570 0.155 0.000 3.062 70 I HA 0.873 5.046 4.170 0.006 0.000 0.316 70 I C 0.089 176.348 176.117 0.237 0.000 1.041 70 I CA -0.851 60.640 61.300 0.319 0.000 1.069 70 I CB 1.652 39.857 38.000 0.342 0.000 1.300 70 I HN 0.487 nan 8.210 nan 0.000 0.518 71 S N 2.587 118.492 115.700 0.342 0.000 2.473 71 S HA 0.655 5.128 4.470 0.006 0.000 0.307 71 S C -0.737 173.787 174.600 -0.127 0.000 1.094 71 S CA -0.723 57.472 58.200 -0.009 0.000 1.070 71 S CB 0.779 63.890 63.200 -0.149 0.000 1.019 71 S HN 0.461 nan 8.310 nan 0.000 0.480 72 I N 4.110 124.550 120.570 -0.216 0.000 2.410 72 I HA 0.342 4.515 4.170 0.006 0.000 0.286 72 I C 1.342 177.373 176.117 -0.144 0.000 1.009 72 I CA -0.245 60.860 61.300 -0.326 0.000 1.111 72 I CB 0.427 37.949 38.000 -0.798 0.000 1.262 72 I HN 1.005 nan 8.210 nan 0.000 0.443 73 G N 4.822 113.569 108.800 -0.088 0.000 2.352 73 G HA2 -0.223 3.741 3.960 0.006 0.000 0.295 73 G HA3 -0.223 3.741 3.960 0.006 0.000 0.295 73 G C 1.071 175.996 174.900 0.042 0.000 0.991 73 G CA 1.130 46.240 45.100 0.017 0.000 0.796 73 G HN 1.572 nan 8.290 nan 0.000 0.511 74 G N -2.138 106.654 108.800 -0.013 0.000 2.176 74 G HA2 -0.073 3.890 3.960 0.006 0.000 0.232 74 G HA3 -0.073 3.890 3.960 0.006 0.000 0.232 74 G C 0.227 175.140 174.900 0.022 0.000 0.986 74 G CA 0.981 46.082 45.100 0.002 0.000 0.643 74 G HN 1.593 nan 8.290 nan 0.000 0.522 75 Q N 1.253 121.073 119.800 0.033 0.000 2.296 75 Q HA 0.662 5.006 4.340 0.006 0.000 0.257 75 Q C 0.588 176.602 176.000 0.023 0.000 0.942 75 Q CA -0.482 55.354 55.803 0.055 0.000 0.939 75 Q CB 0.375 29.185 28.738 0.120 0.000 1.198 75 Q HN 0.450 nan 8.270 nan 0.000 0.429 76 R N 2.010 122.526 120.500 0.028 0.000 2.489 76 R HA 0.373 4.717 4.340 0.006 0.000 0.287 76 R C -0.819 175.489 176.300 0.014 0.000 1.053 76 R CA -0.140 55.970 56.100 0.017 0.000 1.036 76 R CB 0.714 31.025 30.300 0.018 0.000 0.966 76 R HN 0.400 nan 8.270 nan 0.000 0.432 77 V N 2.949 122.853 119.914 -0.017 0.000 2.447 77 V HA 0.173 4.296 4.120 0.006 0.000 0.292 77 V C -0.287 175.750 176.094 -0.095 0.000 1.021 77 V CA -0.789 61.488 62.300 -0.039 0.000 0.850 77 V CB 1.939 33.703 31.823 -0.100 0.000 1.005 77 V HN 0.773 nan 8.190 nan 0.000 0.426 78 T N 6.509 121.003 114.554 -0.101 0.000 2.728 78 T HA 0.556 4.910 4.350 0.006 0.000 0.296 78 T C 0.035 174.572 174.700 -0.272 0.000 0.940 78 T CA 0.066 62.059 62.100 -0.178 0.000 1.013 78 T CB 0.406 69.206 68.868 -0.113 0.000 0.912 78 T HN 0.381 nan 8.240 nan 0.000 0.484 79 I N 3.492 123.755 120.570 -0.512 0.000 2.352 79 I HA 0.168 4.342 4.170 0.006 0.000 0.290 79 I C 0.235 176.057 176.117 -0.493 0.000 1.036 79 I CA -0.528 60.413 61.300 -0.598 0.000 1.336 79 I CB 1.241 38.700 38.000 -0.903 0.000 1.407 79 I HN 0.316 nan 8.210 nan 0.000 0.497 80 V N 6.803 126.514 119.914 -0.338 0.000 2.162 80 V HA 0.169 4.293 4.120 0.006 0.000 0.255 80 V C 1.236 177.263 176.094 -0.112 0.000 1.304 80 V CA -0.088 62.101 62.300 -0.185 0.000 1.198 80 V CB 0.172 31.913 31.823 -0.136 0.000 1.333 80 V HN 1.001 nan 8.190 nan 0.000 0.493 81 G N 1.610 110.369 108.800 -0.068 0.000 3.448 81 G HA2 0.066 4.030 3.960 0.006 0.000 0.261 81 G HA3 0.066 4.030 3.960 0.006 0.000 0.261 81 G C 0.128 175.107 174.900 0.132 0.000 1.173 81 G CA -0.130 45.010 45.100 0.066 0.000 0.835 81 G HN 0.552 nan 8.290 nan 0.000 0.534 82 D N 0.323 120.794 120.400 0.118 0.000 2.414 82 D HA 0.308 4.952 4.640 0.006 0.000 0.232 82 D C -1.717 174.585 176.300 0.003 0.000 1.070 82 D CA -2.075 51.987 54.000 0.103 0.000 0.839 82 D CB 2.624 43.507 40.800 0.138 0.000 1.079 82 D HN -0.075 nan 8.370 nan 0.000 0.521 83 P HA -0.093 nan 4.420 nan 0.000 0.220 83 P C 1.083 178.109 177.300 -0.457 0.000 1.148 83 P CA 0.887 63.536 63.100 -0.751 0.000 0.803 83 P CB 0.174 31.544 31.700 -0.551 0.000 0.782 84 H N -0.347 118.643 119.070 -0.134 0.000 2.491 84 H HA -0.006 4.554 4.556 0.006 0.000 0.290 84 H C 1.041 176.378 175.328 0.015 0.000 1.050 84 H CA 0.955 56.975 56.048 -0.047 0.000 1.309 84 H CB 0.012 29.761 29.762 -0.021 0.000 1.392 84 H HN 0.229 nan 8.280 nan 0.000 0.554 85 E N -0.045 120.242 120.200 0.145 0.000 2.479 85 E HA -0.004 4.350 4.350 0.006 0.000 0.193 85 E C 1.458 178.210 176.600 0.255 0.000 1.049 85 E CA -0.064 56.439 56.400 0.172 0.000 0.870 85 E CB -0.198 29.593 29.700 0.150 0.000 0.944 85 E HN 0.674 nan 8.360 nan 0.000 0.492 86 H N 1.035 120.202 119.070 0.162 0.000 2.321 86 H HA -0.188 4.371 4.556 0.006 0.000 0.295 86 H C 2.391 177.928 175.328 0.349 0.000 1.102 86 H CA 1.784 57.983 56.048 0.251 0.000 1.266 86 H CB 0.249 30.194 29.762 0.306 0.000 1.363 86 H HN 0.213 nan 8.280 nan 0.000 0.492 87 S N 1.177 117.119 115.700 0.403 0.000 2.374 87 S HA -0.222 4.252 4.470 0.006 0.000 0.227 87 S C 1.943 176.683 174.600 0.234 0.000 1.037 87 S CA 1.386 59.773 58.200 0.310 0.000 1.024 87 S CB -0.324 62.999 63.200 0.205 0.000 0.861 87 S HN 0.378 nan 8.310 nan 0.000 0.456 88 R N -0.468 120.147 120.500 0.192 0.000 2.357 88 R HA 0.181 4.524 4.340 0.006 0.000 0.202 88 R C 1.711 178.081 176.300 0.117 0.000 1.047 88 R CA 1.031 57.209 56.100 0.130 0.000 1.034 88 R CB -0.314 30.057 30.300 0.118 0.000 0.875 88 R HN 0.654 nan 8.270 nan 0.000 0.473 89 F N -1.155 118.759 119.950 -0.059 0.000 2.453 89 F HA 0.138 4.668 4.527 0.006 0.000 0.284 89 F C 1.134 176.793 175.800 -0.235 0.000 1.065 89 F CA 0.566 58.430 58.000 -0.226 0.000 1.411 89 F CB 0.152 38.887 39.000 -0.442 0.000 1.131 89 F HN -0.193 nan 8.300 nan 0.000 0.582 90 F N 0.337 120.324 119.950 0.063 0.000 2.569 90 F HA 0.069 4.599 4.527 0.006 0.000 0.295 90 F C 2.449 178.219 175.800 -0.050 0.000 1.115 90 F CA 0.863 58.848 58.000 -0.025 0.000 1.450 90 F CB -0.864 38.215 39.000 0.132 0.000 1.107 90 F HN -0.089 nan 8.300 nan 0.000 0.563 91 S N -0.502 115.279 115.700 0.134 0.000 2.335 91 S HA 0.011 4.485 4.470 0.006 0.000 0.217 91 S C -1.442 173.156 174.600 -0.004 0.000 1.032 91 S CA 0.186 58.425 58.200 0.066 0.000 0.985 91 S CB -1.319 61.924 63.200 0.072 0.000 0.896 91 S HN 0.071 nan 8.310 nan 0.000 0.445 92 P HA 0.041 nan 4.420 nan 0.000 0.265 92 P C -0.045 177.208 177.300 -0.077 0.000 1.187 92 P CA 0.224 63.292 63.100 -0.053 0.000 0.766 92 P CB 0.282 31.944 31.700 -0.063 0.000 0.820 93 R N 2.399 122.856 120.500 -0.072 0.000 2.801 93 R HA 0.185 4.528 4.340 0.006 0.000 0.273 93 R C 0.882 177.107 176.300 -0.126 0.000 1.080 93 R CA -0.520 55.521 56.100 -0.097 0.000 1.197 93 R CB -0.019 30.235 30.300 -0.077 0.000 1.109 93 R HN 0.331 nan 8.270 nan 0.000 0.535 94 N N 0.991 119.568 118.700 -0.205 0.000 2.184 94 N HA -0.199 4.545 4.740 0.006 0.000 0.190 94 N C 0.995 176.404 175.510 -0.167 0.000 1.011 94 N CA 1.693 54.533 53.050 -0.350 0.000 0.867 94 N CB -0.081 37.846 38.487 -0.933 0.000 0.993 94 N HN 0.557 nan 8.380 nan 0.000 0.433 95 E N 0.165 120.324 120.200 -0.070 0.000 2.274 95 E HA 0.024 4.378 4.350 0.006 0.000 0.194 95 E C 1.775 178.378 176.600 0.005 0.000 0.996 95 E CA 0.372 56.779 56.400 0.013 0.000 0.840 95 E CB 0.086 29.800 29.700 0.023 0.000 0.772 95 E HN 0.336 nan 8.360 nan 0.000 0.491 96 I N -0.436 120.120 120.570 -0.024 0.000 2.499 96 I HA 0.045 4.218 4.170 0.006 0.000 0.243 96 I C 0.709 176.808 176.117 -0.031 0.000 1.085 96 I CA 0.578 61.866 61.300 -0.020 0.000 1.422 96 I CB -0.547 37.437 38.000 -0.026 0.000 1.165 96 I HN -0.009 nan 8.210 nan 0.000 0.440 97 L N 1.235 122.417 121.223 -0.069 0.000 2.295 97 L HA 0.324 4.667 4.340 0.006 0.000 0.281 97 L C -0.009 176.808 176.870 -0.089 0.000 1.018 97 L CA -0.102 54.680 54.840 -0.096 0.000 0.841 97 L CB 1.550 43.495 42.059 -0.191 0.000 1.218 97 L HN 0.032 nan 8.230 nan 0.000 0.424 98 S N 4.647 120.329 115.700 -0.030 0.000 2.442 98 S HA 0.473 4.947 4.470 0.006 0.000 0.297 98 S C -1.555 173.077 174.600 0.054 0.000 1.131 98 S CA -1.425 56.796 58.200 0.034 0.000 1.092 98 S CB 1.391 64.666 63.200 0.124 0.000 0.998 98 S HN 0.404 nan 8.310 nan 0.000 0.478 99 P HA 0.030 nan 4.420 nan 0.000 0.226 99 P C 1.340 178.761 177.300 0.202 0.000 1.161 99 P CA 0.188 63.337 63.100 0.082 0.000 0.804 99 P CB 0.161 31.785 31.700 -0.127 0.000 0.829 100 R N 1.251 121.936 120.500 0.308 0.000 2.113 100 R HA -0.207 4.136 4.340 0.006 0.000 0.244 100 R C 1.946 178.341 176.300 0.159 0.000 1.142 100 R CA 2.085 58.347 56.100 0.269 0.000 0.953 100 R CB -0.465 29.944 30.300 0.182 0.000 0.860 100 R HN 0.052 nan 8.270 nan 0.000 0.438 101 E N -0.357 119.903 120.200 0.100 0.000 2.152 101 E HA -0.122 4.232 4.350 0.006 0.000 0.192 101 E C 1.867 178.443 176.600 -0.041 0.000 0.983 101 E CA 1.358 57.776 56.400 0.030 0.000 0.818 101 E CB 0.047 29.762 29.700 0.025 0.000 0.758 101 E HN 0.448 nan 8.360 nan 0.000 0.467 102 V N -1.829 118.043 119.914 -0.070 0.000 2.871 102 V HA -0.105 4.019 4.120 0.006 0.000 0.256 102 V C 1.368 177.253 176.094 -0.348 0.000 1.082 102 V CA 1.150 63.309 62.300 -0.235 0.000 1.105 102 V CB -0.677 30.979 31.823 -0.278 0.000 0.713 102 V HN 0.183 nan 8.190 nan 0.000 0.473 103 Y N 1.418 121.622 120.300 -0.159 0.000 2.466 103 Y HA 0.160 4.714 4.550 0.006 0.000 0.272 103 Y C 2.528 178.384 175.900 -0.073 0.000 1.169 103 Y CA 0.831 58.846 58.100 -0.142 0.000 1.285 103 Y CB -0.372 37.964 38.460 -0.208 0.000 1.078 103 Y HN 0.189 nan 8.280 nan 0.000 0.523 104 T N 0.747 115.303 114.554 0.005 0.000 2.699 104 T HA -0.277 4.076 4.350 0.006 0.000 0.268 104 T C 2.050 176.705 174.700 -0.075 0.000 1.036 104 T CA 1.676 63.767 62.100 -0.014 0.000 1.147 104 T CB -0.380 68.467 68.868 -0.035 0.000 0.862 104 T HN 0.453 nan 8.240 nan 0.000 0.446 105 I N 0.680 121.165 120.570 -0.141 0.000 2.300 105 I HA -0.207 3.966 4.170 0.006 0.000 0.252 105 I C 1.573 177.558 176.117 -0.220 0.000 1.119 105 I CA 1.398 62.592 61.300 -0.176 0.000 1.384 105 I CB -0.056 37.819 38.000 -0.209 0.000 1.062 105 I HN 0.223 nan 8.210 nan 0.000 0.426 106 M N -0.502 118.927 119.600 -0.284 0.000 2.618 106 M HA -0.012 4.471 4.480 0.006 0.000 0.240 106 M C 1.984 177.985 176.300 -0.500 0.000 1.123 106 M CA 0.710 55.666 55.300 -0.573 0.000 1.060 106 M CB -1.537 30.489 32.600 -0.958 0.000 1.535 106 M HN 0.131 nan 8.290 nan 0.000 0.507 107 T N 2.353 116.794 114.554 -0.189 0.000 2.699 107 T HA -0.076 4.278 4.350 0.006 0.000 0.268 107 T C -0.855 173.808 174.700 -0.063 0.000 1.036 107 T CA 1.550 63.619 62.100 -0.052 0.000 1.147 107 T CB -1.173 67.701 68.868 0.010 0.000 0.862 107 T HN 0.295 nan 8.240 nan 0.000 0.446 108 P HA 0.157 nan 4.420 nan 0.000 0.245 108 P C 1.048 178.283 177.300 -0.109 0.000 1.212 108 P CA 0.415 63.474 63.100 -0.068 0.000 0.774 108 P CB -0.055 31.608 31.700 -0.063 0.000 0.999 109 V N -1.635 118.130 119.914 -0.248 0.000 2.627 109 V HA 0.006 4.129 4.120 0.006 0.000 0.239 109 V C 2.037 178.084 176.094 -0.079 0.000 1.077 109 V CA 1.111 63.235 62.300 -0.293 0.000 1.103 109 V CB -1.134 30.264 31.823 -0.708 0.000 0.802 109 V HN -0.110 nan 8.190 nan 0.000 0.482 110 F N 1.468 121.362 119.950 -0.092 0.000 2.407 110 F HA 0.454 4.985 4.527 0.007 0.000 0.299 110 F C 1.437 177.171 175.800 -0.110 0.000 1.097 110 F CA 0.590 58.550 58.000 -0.068 0.000 1.422 110 F CB -0.917 38.074 39.000 -0.015 0.000 1.067 110 F HN 0.313 nan 8.300 nan 0.000 0.539 111 G N 0.290 109.153 108.800 0.105 0.000 3.069 111 G HA2 -0.110 3.853 3.960 0.006 0.000 0.686 111 G HA3 -0.110 3.853 3.960 0.006 0.000 0.686 111 G C 0.105 175.139 174.900 0.224 0.000 1.161 111 G CA -0.344 44.788 45.100 0.054 0.000 0.804 111 G HN 0.030 nan 8.290 nan 0.000 0.608 112 E N 0.962 121.354 120.200 0.319 0.000 2.024 112 E HA -0.101 4.252 4.350 0.006 0.000 0.236 112 E C 2.480 179.202 176.600 0.203 0.000 0.995 112 E CA 2.724 59.251 56.400 0.212 0.000 0.904 112 E CB -0.748 29.022 29.700 0.117 0.000 0.823 112 E HN 1.494 nan 8.360 nan 0.000 0.552 113 G N 0.095 109.012 108.800 0.194 0.000 3.452 113 G HA2 0.299 4.263 3.960 0.006 0.000 0.258 113 G HA3 0.299 4.263 3.960 0.006 0.000 0.258 113 G C -0.609 174.356 174.900 0.110 0.000 1.305 113 G CA -0.090 45.078 45.100 0.114 0.000 1.514 113 G HN 0.090 nan 8.290 nan 0.000 0.593 114 V N -0.072 119.920 119.914 0.130 0.000 2.630 114 V HA 0.742 4.865 4.120 0.006 0.000 0.305 114 V C 1.098 177.201 176.094 0.015 0.000 1.046 114 V CA 0.248 62.586 62.300 0.063 0.000 0.934 114 V CB 0.910 32.746 31.823 0.022 0.000 1.003 114 V HN 0.923 nan 8.190 nan 0.000 0.451 115 A N 3.690 126.441 122.820 -0.116 0.000 5.195 115 A HA -0.319 4.005 4.320 0.006 0.000 0.310 115 A C 1.070 178.485 177.584 -0.283 0.000 1.951 115 A CA 2.010 53.849 52.037 -0.330 0.000 0.714 115 A CB -2.021 16.621 19.000 -0.597 0.000 1.301 115 A HN 1.049 nan 8.150 nan 0.000 0.369 116 Y N 0.040 120.318 120.300 -0.037 0.000 2.465 116 Y HA 0.094 4.648 4.550 0.006 0.000 0.289 116 Y C 2.758 178.668 175.900 0.016 0.000 1.150 116 Y CA 1.855 59.970 58.100 0.025 0.000 1.293 116 Y CB -0.536 37.941 38.460 0.028 0.000 0.977 116 Y HN 0.803 nan 8.280 nan 0.000 0.556 117 A N -0.335 122.566 122.820 0.135 0.000 2.238 117 A HA 0.509 4.832 4.320 0.006 0.000 0.210 117 A C 1.489 179.059 177.584 -0.023 0.000 1.179 117 A CA 0.347 52.424 52.037 0.066 0.000 0.827 117 A CB -0.566 18.504 19.000 0.116 0.000 0.856 117 A HN 0.221 nan 8.150 nan 0.000 0.488 118 A N 0.863 123.650 122.820 -0.055 0.000 2.272 118 A HA 0.601 4.924 4.320 0.006 0.000 0.275 118 A C -2.382 175.096 177.584 -0.175 0.000 1.096 118 A CA -1.497 50.482 52.037 -0.097 0.000 0.822 118 A CB -0.229 18.716 19.000 -0.092 0.000 1.088 118 A HN 0.210 nan 8.150 nan 0.000 0.495 119 P HA 0.033 nan 4.420 nan 0.000 0.270 119 P C -0.081 177.132 177.300 -0.145 0.000 1.223 119 P CA 0.182 63.159 63.100 -0.205 0.000 0.785 119 P CB 0.148 31.774 31.700 -0.123 0.000 0.923 120 Y N 1.704 121.989 120.300 -0.025 0.000 2.207 120 Y HA -0.131 4.423 4.550 0.006 0.000 0.287 120 Y C -0.385 175.483 175.900 -0.052 0.000 1.156 120 Y CA 1.891 59.978 58.100 -0.022 0.000 1.182 120 Y CB -2.760 35.706 38.460 0.009 0.000 0.979 120 Y HN 0.452 nan 8.280 nan 0.000 0.521 121 P HA -0.144 nan 4.420 nan 0.000 0.216 121 P C 1.600 178.870 177.300 -0.050 0.000 1.153 121 P CA 1.675 64.778 63.100 0.005 0.000 0.848 121 P CB 0.081 31.775 31.700 -0.009 0.000 0.787 122 R N -0.314 120.137 120.500 -0.083 0.000 2.115 122 R HA 0.000 4.344 4.340 0.006 0.000 0.230 122 R C 2.234 178.468 176.300 -0.110 0.000 1.111 122 R CA 1.297 57.308 56.100 -0.148 0.000 0.976 122 R CB -1.455 28.715 30.300 -0.215 0.000 0.870 122 R HN 0.105 nan 8.270 nan 0.000 0.445 123 M N -0.423 119.127 119.600 -0.083 0.000 2.159 123 M HA -0.173 4.311 4.480 0.006 0.000 0.263 123 M C 1.895 178.115 176.300 -0.133 0.000 1.063 123 M CA 1.772 57.004 55.300 -0.113 0.000 1.110 123 M CB -0.064 32.510 32.600 -0.043 0.000 1.374 123 M HN 0.051 nan 8.290 nan 0.000 0.411 124 R N 0.577 121.023 120.500 -0.091 0.000 2.062 124 R HA -0.067 4.277 4.340 0.006 0.000 0.229 124 R C 1.831 178.019 176.300 -0.187 0.000 1.128 124 R CA 1.990 58.021 56.100 -0.115 0.000 0.960 124 R CB -0.419 29.831 30.300 -0.083 0.000 0.855 124 R HN 0.526 nan 8.270 nan 0.000 0.432 125 E N 0.125 120.195 120.200 -0.217 0.000 2.070 125 E HA -0.298 4.056 4.350 0.006 0.000 0.197 125 E C 2.094 178.366 176.600 -0.546 0.000 1.004 125 E CA 1.665 57.797 56.400 -0.447 0.000 0.805 125 E CB -0.201 29.315 29.700 -0.306 0.000 0.744 125 E HN 0.477 nan 8.360 nan 0.000 0.451 126 Q N 0.536 120.219 119.800 -0.195 0.000 2.112 126 Q HA -0.174 4.169 4.340 0.006 0.000 0.206 126 Q C 2.414 178.346 176.000 -0.114 0.000 0.987 126 Q CA 1.245 57.006 55.803 -0.071 0.000 0.858 126 Q CB -0.186 28.543 28.738 -0.016 0.000 0.905 126 Q HN 0.334 nan 8.270 nan 0.000 0.420 127 L N 0.550 121.673 121.223 -0.167 0.000 2.056 127 L HA -0.186 4.157 4.340 0.006 0.000 0.207 127 L C 1.926 178.744 176.870 -0.086 0.000 1.078 127 L CA 0.770 55.529 54.840 -0.135 0.000 0.749 127 L CB -0.475 41.496 42.059 -0.147 0.000 0.901 127 L HN 0.259 nan 8.230 nan 0.000 0.433 128 N N -0.080 118.535 118.700 -0.141 0.000 2.166 128 N HA -0.181 4.563 4.740 0.006 0.000 0.186 128 N C 1.666 177.186 175.510 0.016 0.000 1.019 128 N CA 1.297 54.285 53.050 -0.104 0.000 0.856 128 N CB -0.402 37.976 38.487 -0.181 0.000 0.993 128 N HN 0.136 nan 8.380 nan 0.000 0.426 129 F N 0.789 120.722 119.950 -0.027 0.000 2.126 129 F HA -0.063 4.468 4.527 0.006 0.000 0.299 129 F C 2.162 177.943 175.800 -0.032 0.000 1.096 129 F CA 0.229 58.204 58.000 -0.042 0.000 1.255 129 F CB -1.097 37.858 39.000 -0.076 0.000 0.997 129 F HN 0.013 nan 8.300 nan 0.000 0.479 130 L N 0.374 121.681 121.223 0.140 0.000 2.017 130 L HA -0.104 4.239 4.340 0.006 0.000 0.208 130 L C 2.509 179.417 176.870 0.063 0.000 1.073 130 L CA 1.884 56.766 54.840 0.070 0.000 0.745 130 L CB -1.368 40.706 42.059 0.024 0.000 0.894 130 L HN 0.077 nan 8.230 nan 0.000 0.432 131 A N 0.099 122.952 122.820 0.055 0.000 1.884 131 A HA -0.301 4.023 4.320 0.006 0.000 0.219 131 A C 2.002 179.632 177.584 0.077 0.000 1.197 131 A CA 2.105 54.177 52.037 0.059 0.000 0.637 131 A CB -1.005 18.015 19.000 0.034 0.000 0.827 131 A HN 0.725 nan 8.150 nan 0.000 0.450 132 E N -0.834 119.419 120.200 0.088 0.000 2.505 132 E HA -0.024 4.330 4.350 0.006 0.000 0.197 132 E C 1.008 177.649 176.600 0.068 0.000 1.111 132 E CA 0.973 57.422 56.400 0.081 0.000 0.887 132 E CB 0.007 29.767 29.700 0.099 0.000 0.913 132 E HN 0.617 nan 8.360 nan 0.000 0.517 133 E N -0.112 120.131 120.200 0.071 0.000 2.511 133 E HA 0.187 4.541 4.350 0.006 0.000 0.209 133 E C 0.551 177.198 176.600 0.079 0.000 0.986 133 E CA 0.421 56.855 56.400 0.057 0.000 0.974 133 E CB 1.354 31.078 29.700 0.041 0.000 1.030 133 E HN 0.348 nan 8.360 nan 0.000 0.490 134 L N 0.454 121.754 121.223 0.127 0.000 3.030 134 L HA 0.831 5.175 4.340 0.006 0.000 0.252 134 L C 0.363 177.496 176.870 0.437 0.000 1.316 134 L CA 0.455 55.465 54.840 0.282 0.000 0.975 134 L CB 0.013 42.197 42.059 0.209 0.000 1.357 134 L HN 0.102 nan 8.230 nan 0.000 0.534 135 T N -0.979 113.747 114.554 0.286 0.000 4.249 135 T HA 0.492 4.846 4.350 0.006 0.000 0.374 135 T C -0.165 174.553 174.700 0.030 0.000 0.858 135 T CA 0.575 62.737 62.100 0.104 0.000 0.976 135 T CB -0.209 68.690 68.868 0.052 0.000 1.224 135 T HN 0.968 nan 8.240 nan 0.000 0.447 136 I N 1.624 122.175 120.570 -0.031 0.000 4.461 136 I HA 0.384 4.558 4.170 0.006 0.000 0.364 136 I C 1.838 177.863 176.117 -0.152 0.000 1.246 136 I CA 0.561 61.809 61.300 -0.086 0.000 1.230 136 I CB 0.262 38.098 38.000 -0.272 0.000 1.929 136 I HN 0.690 nan 8.210 nan 0.000 0.660 137 A N 1.129 123.874 122.820 -0.125 0.000 2.015 137 A HA -0.132 4.192 4.320 0.006 0.000 0.219 137 A C 2.360 179.848 177.584 -0.160 0.000 1.163 137 A CA 1.924 53.872 52.037 -0.148 0.000 0.646 137 A CB -0.528 18.410 19.000 -0.105 0.000 0.806 137 A HN 0.372 nan 8.150 nan 0.000 0.448 138 K N -0.771 119.545 120.400 -0.140 0.000 2.097 138 K HA -0.082 4.242 4.320 0.006 0.000 0.206 138 K C 1.703 177.859 176.600 -0.739 0.000 1.049 138 K CA 1.565 57.685 56.287 -0.278 0.000 0.933 138 K CB -1.329 31.068 32.500 -0.170 0.000 0.717 138 K HN 0.546 nan 8.250 nan 0.000 0.442 139 F N 1.846 121.295 119.950 -0.836 0.000 2.287 139 F HA -0.218 4.313 4.527 0.006 0.000 0.301 139 F C 3.459 178.986 175.800 -0.455 0.000 1.069 139 F CA 1.622 59.114 58.000 -0.848 0.000 1.372 139 F CB -0.566 38.304 39.000 -0.216 0.000 1.056 139 F HN 0.485 nan 8.300 nan 0.000 0.523 140 Q N 0.148 119.819 119.800 -0.215 0.000 2.152 140 Q HA -0.246 4.097 4.340 0.006 0.000 0.206 140 Q C 1.595 177.608 176.000 0.021 0.000 0.985 140 Q CA 2.057 57.798 55.803 -0.104 0.000 0.863 140 Q CB -0.999 27.661 28.738 -0.131 0.000 0.904 140 Q HN 0.393 nan 8.270 nan 0.000 0.422 141 N N -1.043 117.673 118.700 0.026 0.000 2.336 141 N HA 0.166 4.909 4.740 0.006 0.000 0.189 141 N C 0.688 176.394 175.510 0.326 0.000 1.113 141 N CA -0.068 53.072 53.050 0.149 0.000 0.858 141 N CB 0.084 38.653 38.487 0.136 0.000 0.970 141 N HN 0.455 nan 8.380 nan 0.000 0.471 142 F N 0.411 120.398 119.950 0.061 0.000 2.118 142 F HA 0.004 4.535 4.527 0.006 0.000 0.293 142 F C 2.281 178.100 175.800 0.032 0.000 1.102 142 F CA 0.344 58.364 58.000 0.033 0.000 1.247 142 F CB -0.941 38.048 39.000 -0.018 0.000 1.017 142 F HN -0.174 nan 8.300 nan 0.000 0.475 143 V N 1.909 121.983 119.914 0.267 0.000 2.282 143 V HA -0.247 3.877 4.120 0.006 0.000 0.249 143 V C -0.240 175.916 176.094 0.104 0.000 1.057 143 V CA 2.406 64.791 62.300 0.141 0.000 1.032 143 V CB -2.079 29.819 31.823 0.124 0.000 0.645 143 V HN 0.164 nan 8.190 nan 0.000 0.447 144 P HA -0.064 nan 4.420 nan 0.000 0.222 144 P C 1.546 178.905 177.300 0.099 0.000 1.153 144 P CA 1.877 65.035 63.100 0.097 0.000 0.798 144 P CB 0.004 31.756 31.700 0.085 0.000 0.796 145 A N -0.025 122.853 122.820 0.097 0.000 1.930 145 A HA -0.103 4.221 4.320 0.006 0.000 0.217 145 A C 2.287 179.904 177.584 0.056 0.000 1.175 145 A CA 1.097 53.179 52.037 0.075 0.000 0.627 145 A CB -1.466 17.564 19.000 0.050 0.000 0.815 145 A HN 0.107 nan 8.150 nan 0.000 0.443 146 I N -0.614 119.966 120.570 0.017 0.000 2.202 146 I HA -0.289 3.885 4.170 0.006 0.000 0.242 146 I C 2.803 178.922 176.117 0.004 0.000 1.091 146 I CA 1.342 62.624 61.300 -0.029 0.000 1.368 146 I CB -0.442 37.509 38.000 -0.082 0.000 1.058 146 I HN 0.387 nan 8.210 nan 0.000 0.410 147 Q N -0.127 119.696 119.800 0.038 0.000 2.045 147 Q HA -0.326 4.018 4.340 0.006 0.000 0.206 147 Q C 2.250 178.291 176.000 0.068 0.000 0.991 147 Q CA 2.364 58.198 55.803 0.052 0.000 0.851 147 Q CB -0.507 28.272 28.738 0.068 0.000 0.911 147 Q HN 0.578 nan 8.270 nan 0.000 0.418 148 H N 0.752 119.829 119.070 0.011 0.000 2.319 148 H HA -0.141 4.418 4.556 0.006 0.000 0.297 148 H C 1.913 177.242 175.328 0.002 0.000 1.097 148 H CA 1.852 57.907 56.048 0.012 0.000 1.285 148 H CB 0.224 29.995 29.762 0.016 0.000 1.368 148 H HN 0.153 nan 8.280 nan 0.000 0.495 149 E N -0.106 120.091 120.200 -0.004 0.000 2.106 149 E HA -0.101 4.253 4.350 0.006 0.000 0.192 149 E C 2.622 179.171 176.600 -0.086 0.000 0.984 149 E CA 1.014 57.375 56.400 -0.065 0.000 0.806 149 E CB -0.352 29.338 29.700 -0.016 0.000 0.750 149 E HN 0.388 nan 8.360 nan 0.000 0.458 150 V N 1.512 121.378 119.914 -0.081 0.000 2.295 150 V HA -0.252 3.871 4.120 0.006 0.000 0.246 150 V C 2.415 178.459 176.094 -0.083 0.000 1.049 150 V CA 1.820 64.061 62.300 -0.098 0.000 1.024 150 V CB -0.439 31.339 31.823 -0.075 0.000 0.648 150 V HN 0.193 nan 8.190 nan 0.000 0.447 151 R N 0.045 120.502 120.500 -0.072 0.000 2.081 151 R HA -0.179 4.165 4.340 0.006 0.000 0.235 151 R C 2.450 178.678 176.300 -0.119 0.000 1.131 151 R CA 1.603 57.666 56.100 -0.061 0.000 0.960 151 R CB -0.392 29.888 30.300 -0.033 0.000 0.856 151 R HN 0.440 nan 8.270 nan 0.000 0.436 152 K N 0.291 120.570 120.400 -0.202 0.000 2.063 152 K HA -0.195 4.128 4.320 0.006 0.000 0.208 152 K C 1.889 178.382 176.600 -0.178 0.000 1.048 152 K CA 1.472 57.632 56.287 -0.212 0.000 0.928 152 K CB -0.152 32.171 32.500 -0.296 0.000 0.713 152 K HN 0.059 nan 8.250 nan 0.000 0.442 153 F N 1.168 120.944 119.950 -0.291 0.000 2.084 153 F HA -0.165 4.366 4.527 0.005 0.000 0.296 153 F C 2.100 177.583 175.800 -0.528 0.000 1.111 153 F CA 1.618 59.397 58.000 -0.369 0.000 1.224 153 F CB -0.135 38.625 39.000 -0.401 0.000 0.991 153 F HN -0.039 nan 8.300 nan 0.000 0.471 154 M N 0.361 119.728 119.600 -0.388 0.000 2.082 154 M HA -0.255 4.229 4.480 0.006 0.000 0.258 154 M C 2.427 178.580 176.300 -0.245 0.000 1.069 154 M CA 1.942 56.912 55.300 -0.550 0.000 1.102 154 M CB -0.926 31.568 32.600 -0.176 0.000 1.336 154 M HN 0.325 nan 8.290 nan 0.000 0.404 155 A N -0.131 122.601 122.820 -0.145 0.000 1.978 155 A HA -0.183 4.140 4.320 0.006 0.000 0.220 155 A C 1.915 179.419 177.584 -0.133 0.000 1.170 155 A CA 1.897 53.885 52.037 -0.080 0.000 0.636 155 A CB -0.563 18.395 19.000 -0.069 0.000 0.810 155 A HN 0.583 nan 8.150 nan 0.000 0.448 156 E N -1.355 118.686 120.200 -0.265 0.000 2.364 156 E HA 0.046 4.399 4.350 0.006 0.000 0.196 156 E C 1.056 177.467 176.600 -0.314 0.000 0.990 156 E CA 0.256 56.496 56.400 -0.267 0.000 0.886 156 E CB 0.190 29.710 29.700 -0.299 0.000 0.866 156 E HN 0.557 nan 8.360 nan 0.000 0.493 157 N N -0.852 117.562 118.700 -0.477 0.000 2.317 157 N HA 0.013 4.757 4.740 0.006 0.000 0.199 157 N C -0.302 175.203 175.510 -0.008 0.000 1.145 157 N CA 0.287 53.104 53.050 -0.389 0.000 0.882 157 N CB 0.667 38.611 38.487 -0.904 0.000 1.113 157 N HN 0.125 nan 8.380 nan 0.000 0.486 158 W N 2.067 123.151 121.300 -0.359 0.000 1.639 158 W HA 0.453 5.116 4.660 0.005 0.000 0.307 158 W C 1.012 177.455 176.519 -0.127 0.000 0.809 158 W CA -1.114 55.886 57.345 -0.576 0.000 2.583 158 W CB -0.244 28.519 29.460 -1.162 0.000 2.213 158 W HN -0.076 nan 8.180 nan 0.000 0.549 159 K N 0.658 121.169 120.400 0.185 0.000 2.076 159 K HA -0.028 4.296 4.320 0.006 0.000 0.204 159 K C 1.558 178.291 176.600 0.221 0.000 1.051 159 K CA 1.250 57.633 56.287 0.160 0.000 0.949 159 K CB 0.120 32.669 32.500 0.083 0.000 0.726 159 K HN 0.185 nan 8.250 nan 0.000 0.443 160 E N 1.273 121.645 120.200 0.287 0.000 2.455 160 E HA -0.014 4.339 4.350 0.006 0.000 0.259 160 E C 1.044 177.801 176.600 0.262 0.000 1.245 160 E CA 0.730 57.266 56.400 0.228 0.000 1.013 160 E CB -0.675 29.127 29.700 0.171 0.000 0.978 160 E HN 0.419 nan 8.360 nan 0.000 0.479 161 D N -0.564 119.912 120.400 0.127 0.000 2.224 161 D HA 0.370 5.014 4.640 0.006 0.000 0.205 161 D C 0.882 177.216 176.300 0.058 0.000 0.965 161 D CA 2.062 56.115 54.000 0.090 0.000 0.852 161 D CB -0.072 40.741 40.800 0.022 0.000 0.947 161 D HN 1.175 nan 8.370 nan 0.000 0.494 162 E N -1.824 118.328 120.200 -0.081 0.000 2.381 162 E HA 0.622 4.976 4.350 0.006 0.000 0.286 162 E C -0.293 175.929 176.600 -0.629 0.000 0.960 162 E CA -0.347 55.806 56.400 -0.411 0.000 0.793 162 E CB 1.287 30.839 29.700 -0.247 0.000 1.225 162 E HN 1.173 nan 8.360 nan 0.000 0.420 163 G N -0.530 107.481 108.800 -1.315 0.000 2.660 163 G HA2 0.615 4.578 3.960 0.006 0.000 0.290 163 G HA3 0.615 4.578 3.960 0.006 0.000 0.290 163 G C -1.315 173.245 174.900 -0.565 0.000 1.432 163 G CA -0.082 44.572 45.100 -0.744 0.000 0.807 163 G HN 1.068 nan 8.290 nan 0.000 0.485 164 V N 1.153 120.955 119.914 -0.187 0.000 2.394 164 V HA 0.612 4.736 4.120 0.006 0.000 0.282 164 V C 0.298 176.408 176.094 0.026 0.000 1.031 164 V CA -0.459 61.790 62.300 -0.084 0.000 0.881 164 V CB 0.730 32.514 31.823 -0.066 0.000 0.982 164 V HN 0.754 nan 8.190 nan 0.000 0.451 165 I N 1.624 122.219 120.570 0.041 0.000 2.785 165 I HA 0.639 4.812 4.170 0.006 0.000 0.302 165 I C -0.439 175.696 176.117 0.030 0.000 1.069 165 I CA -0.921 60.426 61.300 0.077 0.000 1.045 165 I CB 2.196 40.254 38.000 0.096 0.000 1.236 165 I HN 0.516 nan 8.210 nan 0.000 0.429 166 N N 3.056 121.782 118.700 0.044 0.000 2.420 166 N HA 0.253 4.997 4.740 0.006 0.000 0.249 166 N C 0.506 176.016 175.510 -0.001 0.000 1.033 166 N CA -0.630 52.420 53.050 0.000 0.000 0.944 166 N CB 1.309 39.793 38.487 -0.005 0.000 1.113 166 N HN 0.797 nan 8.380 nan 0.000 0.502 167 L N 4.704 125.894 121.223 -0.056 0.000 2.156 167 L HA 0.069 4.413 4.340 0.006 0.000 0.208 167 L C 1.552 178.359 176.870 -0.105 0.000 1.095 167 L CA 1.239 56.029 54.840 -0.082 0.000 0.770 167 L CB -0.324 41.634 42.059 -0.169 0.000 0.914 167 L HN 0.673 nan 8.230 nan 0.000 0.439 168 L N -0.324 120.819 121.223 -0.133 0.000 2.056 168 L HA -0.173 4.171 4.340 0.006 0.000 0.207 168 L C 2.359 179.158 176.870 -0.118 0.000 1.078 168 L CA 1.776 56.524 54.840 -0.153 0.000 0.749 168 L CB -0.588 41.363 42.059 -0.180 0.000 0.901 168 L HN 0.346 nan 8.230 nan 0.000 0.433 169 E N -0.533 119.622 120.200 -0.075 0.000 2.077 169 E HA -0.229 4.125 4.350 0.006 0.000 0.193 169 E C 1.693 178.271 176.600 -0.037 0.000 0.989 169 E CA 1.470 57.840 56.400 -0.049 0.000 0.800 169 E CB -0.136 29.561 29.700 -0.006 0.000 0.746 169 E HN 0.571 nan 8.360 nan 0.000 0.452 170 D N 0.035 120.441 120.400 0.010 0.000 2.149 170 D HA -0.093 4.551 4.640 0.006 0.000 0.201 170 D C 1.933 178.054 176.300 -0.297 0.000 0.972 170 D CA 0.620 54.605 54.000 -0.024 0.000 0.835 170 D CB -0.473 40.507 40.800 0.301 0.000 0.966 170 D HN 0.185 nan 8.370 nan 0.000 0.476 171 C N 0.828 120.011 119.300 -0.195 0.000 2.425 171 C HA -0.023 4.441 4.460 0.006 0.000 0.277 171 C C 2.788 177.630 174.990 -0.246 0.000 1.280 171 C CA 0.943 59.820 59.018 -0.234 0.000 1.744 171 C CB -1.230 26.410 27.740 -0.167 0.000 1.989 171 C HN 0.463 nan 8.230 nan 0.000 0.491 172 G N 0.700 109.377 108.800 -0.205 0.000 2.491 172 G HA2 -0.163 3.801 3.960 0.006 0.000 0.218 172 G HA3 -0.163 3.801 3.960 0.006 0.000 0.218 172 G C 1.911 176.689 174.900 -0.204 0.000 1.180 172 G CA 1.289 46.271 45.100 -0.196 0.000 0.774 172 G HN 0.622 nan 8.290 nan 0.000 0.562 173 A N 0.426 123.116 122.820 -0.216 0.000 1.917 173 A HA -0.070 4.254 4.320 0.006 0.000 0.219 173 A C 2.510 179.887 177.584 -0.345 0.000 1.182 173 A CA 2.107 54.022 52.037 -0.205 0.000 0.633 173 A CB -0.402 18.565 19.000 -0.055 0.000 0.819 173 A HN 0.412 nan 8.150 nan 0.000 0.448 174 M N -0.780 118.458 119.600 -0.603 0.000 2.086 174 M HA -0.108 4.376 4.480 0.006 0.000 0.261 174 M C 2.056 178.185 176.300 -0.284 0.000 1.067 174 M CA 1.244 56.236 55.300 -0.514 0.000 1.116 174 M CB -0.411 31.828 32.600 -0.601 0.000 1.348 174 M HN 0.336 nan 8.290 nan 0.000 0.407 175 I N 0.069 120.494 120.570 -0.242 0.000 2.163 175 I HA -0.277 3.896 4.170 0.006 0.000 0.243 175 I C 2.493 178.518 176.117 -0.153 0.000 1.085 175 I CA 1.548 62.746 61.300 -0.170 0.000 1.347 175 I CB -0.978 36.939 38.000 -0.138 0.000 1.044 175 I HN 0.277 nan 8.210 nan 0.000 0.408 176 I N 1.699 122.175 120.570 -0.157 0.000 2.179 176 I HA -0.295 3.878 4.170 0.006 0.000 0.242 176 I C 2.181 178.227 176.117 -0.117 0.000 1.088 176 I CA 1.624 62.834 61.300 -0.150 0.000 1.357 176 I CB -0.580 37.349 38.000 -0.118 0.000 1.051 176 I HN 0.208 nan 8.210 nan 0.000 0.409 177 N N 0.162 118.805 118.700 -0.096 0.000 2.069 177 N HA -0.183 4.561 4.740 0.006 0.000 0.191 177 N C 1.938 177.403 175.510 -0.076 0.000 1.031 177 N CA 2.337 55.354 53.050 -0.055 0.000 0.852 177 N CB -1.046 37.420 38.487 -0.036 0.000 1.018 177 N HN 0.597 nan 8.380 nan 0.000 0.423 178 T N -1.159 113.328 114.554 -0.113 0.000 2.737 178 T HA 0.060 4.413 4.350 0.006 0.000 0.265 178 T C 2.055 176.668 174.700 -0.145 0.000 1.038 178 T CA 1.375 63.404 62.100 -0.119 0.000 1.144 178 T CB -0.628 68.156 68.868 -0.140 0.000 0.866 178 T HN 0.190 nan 8.240 nan 0.000 0.434 179 A N 1.027 123.763 122.820 -0.139 0.000 1.865 179 A HA -0.094 4.229 4.320 0.006 0.000 0.217 179 A C 2.821 180.176 177.584 -0.381 0.000 1.191 179 A CA 1.718 53.645 52.037 -0.184 0.000 0.623 179 A CB -1.586 17.314 19.000 -0.165 0.000 0.826 179 A HN 0.704 nan 8.150 nan 0.000 0.444 180 C N -1.407 117.704 119.300 -0.315 0.000 2.398 180 C HA -0.149 4.315 4.460 0.006 0.000 0.276 180 C C 2.899 177.758 174.990 -0.218 0.000 1.222 180 C CA 1.607 60.445 59.018 -0.300 0.000 1.746 180 C CB -1.188 26.565 27.740 0.021 0.000 2.039 180 C HN 0.779 nan 8.230 nan 0.000 0.470 181 Q N -0.236 119.490 119.800 -0.123 0.000 2.167 181 Q HA -0.125 4.219 4.340 0.006 0.000 0.202 181 Q C 2.035 177.957 176.000 -0.129 0.000 0.970 181 Q CA 1.894 57.661 55.803 -0.059 0.000 0.855 181 Q CB -0.555 28.179 28.738 -0.007 0.000 0.911 181 Q HN 0.709 nan 8.270 nan 0.000 0.438 182 C N -0.738 118.386 119.300 -0.293 0.000 2.448 182 C HA 0.079 4.542 4.460 0.006 0.000 0.280 182 C C 1.969 176.700 174.990 -0.432 0.000 1.398 182 C CA 0.485 59.186 59.018 -0.529 0.000 1.774 182 C CB -0.617 26.471 27.740 -1.087 0.000 1.888 182 C HN 0.512 nan 8.230 nan 0.000 0.519 183 L N -2.409 118.531 121.223 -0.472 0.000 2.817 183 L HA 0.355 4.698 4.340 0.006 0.000 0.248 183 L C -0.506 176.245 176.870 -0.198 0.000 1.133 183 L CA 0.199 54.752 54.840 -0.478 0.000 0.935 183 L CB 0.300 41.870 42.059 -0.815 0.000 1.266 183 L HN 0.112 nan 8.230 nan 0.000 0.535 184 F N -0.124 119.821 119.950 -0.007 0.000 2.563 184 F HA 0.635 5.165 4.527 0.006 0.000 0.316 184 F C 0.901 176.716 175.800 0.025 0.000 1.076 184 F CA -1.722 56.291 58.000 0.022 0.000 0.921 184 F CB 0.882 39.911 39.000 0.048 0.000 1.209 184 F HN -0.215 nan 8.300 nan 0.000 0.462 185 G N -0.237 108.705 108.800 0.236 0.000 2.606 185 G HA2 0.409 4.372 3.960 0.006 0.000 0.252 185 G HA3 0.409 4.372 3.960 0.006 0.000 0.252 185 G C 0.696 175.665 174.900 0.115 0.000 1.206 185 G CA 0.234 45.411 45.100 0.128 0.000 0.861 185 G HN 0.866 nan 8.290 nan 0.000 0.561 186 E N 0.003 120.250 120.200 0.077 0.000 2.204 186 E HA -0.165 4.189 4.350 0.006 0.000 0.195 186 E C 1.931 178.561 176.600 0.050 0.000 0.990 186 E CA 1.916 58.356 56.400 0.066 0.000 0.821 186 E CB -0.577 29.151 29.700 0.047 0.000 0.750 186 E HN 0.739 nan 8.360 nan 0.000 0.477 187 D N 0.459 120.878 120.400 0.032 0.000 2.123 187 D HA -0.137 4.507 4.640 0.006 0.000 0.200 187 D C 2.048 178.341 176.300 -0.011 0.000 0.976 187 D CA 1.435 55.440 54.000 0.009 0.000 0.831 187 D CB -0.666 40.133 40.800 -0.002 0.000 0.974 187 D HN 0.412 nan 8.370 nan 0.000 0.469 188 L N 0.966 122.171 121.223 -0.029 0.000 2.046 188 L HA -0.017 4.326 4.340 0.006 0.000 0.208 188 L C 2.264 179.106 176.870 -0.046 0.000 1.077 188 L CA 1.533 56.310 54.840 -0.106 0.000 0.747 188 L CB -0.977 40.935 42.059 -0.246 0.000 0.896 188 L HN -0.128 nan 8.230 nan 0.000 0.432 189 R N 0.121 120.657 120.500 0.060 0.000 2.120 189 R HA -0.113 4.231 4.340 0.006 0.000 0.234 189 R C 2.349 178.696 176.300 0.078 0.000 1.123 189 R CA 1.713 57.884 56.100 0.119 0.000 0.975 189 R CB -0.453 29.945 30.300 0.163 0.000 0.866 189 R HN 0.542 nan 8.270 nan 0.000 0.446 190 K N 0.914 121.343 120.400 0.049 0.000 2.288 190 K HA -0.074 4.249 4.320 0.006 0.000 0.201 190 K C 1.955 178.572 176.600 0.029 0.000 1.048 190 K CA 1.428 57.738 56.287 0.038 0.000 0.956 190 K CB -0.225 32.291 32.500 0.027 0.000 0.746 190 K HN 0.016 nan 8.250 nan 0.000 0.461 191 R N -0.856 119.650 120.500 0.009 0.000 2.206 191 R HA 0.325 4.669 4.340 0.006 0.000 0.198 191 R C 0.276 176.582 176.300 0.011 0.000 0.986 191 R CA 0.311 56.411 56.100 -0.001 0.000 1.029 191 R CB 0.223 30.501 30.300 -0.036 0.000 0.966 191 R HN 0.349 nan 8.270 nan 0.000 0.487 192 L N 2.967 124.184 121.223 -0.011 0.000 2.433 192 L HA 0.357 4.701 4.340 0.006 0.000 0.256 192 L C -0.979 175.942 176.870 0.086 0.000 1.063 192 L CA -0.634 54.184 54.840 -0.037 0.000 0.922 192 L CB 0.659 42.572 42.059 -0.243 0.000 1.238 192 L HN 0.374 nan 8.230 nan 0.000 0.466 193 N N 1.897 120.691 118.700 0.158 0.000 2.371 193 N HA 0.064 4.808 4.740 0.006 0.000 0.243 193 N C 0.983 176.630 175.510 0.228 0.000 1.287 193 N CA 0.231 53.385 53.050 0.173 0.000 0.911 193 N CB 1.422 39.992 38.487 0.138 0.000 1.142 193 N HN 0.487 nan 8.380 nan 0.000 0.451 194 A N 1.497 124.440 122.820 0.205 0.000 1.908 194 A HA -0.252 4.071 4.320 0.006 0.000 0.218 194 A C 2.377 180.076 177.584 0.191 0.000 1.181 194 A CA 1.712 53.870 52.037 0.202 0.000 0.627 194 A CB -0.730 18.340 19.000 0.116 0.000 0.818 194 A HN 0.870 nan 8.150 nan 0.000 0.445 195 R N -0.849 119.748 120.500 0.162 0.000 2.070 195 R HA -0.169 4.175 4.340 0.006 0.000 0.232 195 R C 2.158 178.581 176.300 0.205 0.000 1.138 195 R CA 2.236 58.421 56.100 0.143 0.000 0.936 195 R CB -0.979 29.385 30.300 0.106 0.000 0.839 195 R HN 0.801 nan 8.270 nan 0.000 0.429 196 H N -1.228 117.900 119.070 0.097 0.000 2.289 196 H HA -0.224 4.335 4.556 0.006 0.000 0.294 196 H C 1.953 177.364 175.328 0.138 0.000 1.095 196 H CA 1.951 58.049 56.048 0.083 0.000 1.256 196 H CB -0.275 29.512 29.762 0.043 0.000 1.359 196 H HN 0.338 nan 8.280 nan 0.000 0.487 197 F N 0.654 120.619 119.950 0.026 0.000 2.091 197 F HA -0.325 4.205 4.527 0.005 0.000 0.299 197 F C 2.779 178.598 175.800 0.031 0.000 1.103 197 F CA 0.981 58.974 58.000 -0.013 0.000 1.228 197 F CB -0.239 38.789 39.000 0.047 0.000 0.984 197 F HN 0.329 nan 8.300 nan 0.000 0.477 198 A N -0.312 122.668 122.820 0.266 0.000 1.902 198 A HA -0.275 4.049 4.320 0.006 0.000 0.217 198 A C 1.935 179.592 177.584 0.122 0.000 1.181 198 A CA 1.857 53.967 52.037 0.120 0.000 0.623 198 A CB -0.913 18.114 19.000 0.045 0.000 0.818 198 A HN 0.548 nan 8.150 nan 0.000 0.443 199 Q N -0.349 119.539 119.800 0.146 0.000 2.077 199 Q HA -0.162 4.182 4.340 0.006 0.000 0.206 199 Q C 2.107 178.192 176.000 0.142 0.000 0.989 199 Q CA 1.762 57.644 55.803 0.132 0.000 0.853 199 Q CB -0.402 28.426 28.738 0.150 0.000 0.907 199 Q HN 0.694 nan 8.270 nan 0.000 0.418 200 L N 0.093 121.416 121.223 0.166 0.000 2.017 200 L HA -0.229 4.114 4.340 0.006 0.000 0.208 200 L C 2.344 179.334 176.870 0.200 0.000 1.073 200 L CA 1.024 55.952 54.840 0.146 0.000 0.745 200 L CB -0.514 41.579 42.059 0.056 0.000 0.894 200 L HN 0.277 nan 8.230 nan 0.000 0.432 201 L N -0.918 120.460 121.223 0.258 0.000 2.012 201 L HA -0.249 4.095 4.340 0.006 0.000 0.210 201 L C 2.869 179.834 176.870 0.158 0.000 1.073 201 L CA 1.545 56.536 54.840 0.253 0.000 0.748 201 L CB -0.634 41.518 42.059 0.155 0.000 0.891 201 L HN 0.242 nan 8.230 nan 0.000 0.431 202 S N -0.296 115.456 115.700 0.087 0.000 2.382 202 S HA -0.250 4.224 4.470 0.006 0.000 0.228 202 S C 2.087 176.743 174.600 0.094 0.000 1.027 202 S CA 1.594 59.823 58.200 0.048 0.000 0.991 202 S CB -0.107 63.100 63.200 0.013 0.000 0.823 202 S HN 0.292 nan 8.310 nan 0.000 0.469 203 K N -0.204 120.263 120.400 0.111 0.000 2.148 203 K HA 0.029 4.353 4.320 0.006 0.000 0.204 203 K C 2.169 178.846 176.600 0.128 0.000 1.050 203 K CA 1.247 57.596 56.287 0.104 0.000 0.942 203 K CB -0.122 32.435 32.500 0.096 0.000 0.724 203 K HN 0.430 nan 8.250 nan 0.000 0.446 204 M N -0.067 119.648 119.600 0.192 0.000 2.134 204 M HA -0.128 4.356 4.480 0.006 0.000 0.262 204 M C 2.180 178.658 176.300 0.297 0.000 1.076 204 M CA 1.488 56.923 55.300 0.224 0.000 1.143 204 M CB -0.171 32.597 32.600 0.281 0.000 1.346 204 M HN 0.172 nan 8.290 nan 0.000 0.421 205 E N 0.222 120.688 120.200 0.443 0.000 2.085 205 E HA -0.217 4.136 4.350 0.006 0.000 0.194 205 E C 1.847 178.569 176.600 0.203 0.000 0.994 205 E CA 1.789 58.422 56.400 0.387 0.000 0.801 205 E CB 0.023 29.805 29.700 0.137 0.000 0.743 205 E HN 0.465 nan 8.360 nan 0.000 0.453 206 S N -0.625 115.159 115.700 0.139 0.000 2.555 206 S HA -0.008 4.466 4.470 0.006 0.000 0.230 206 S C 1.827 176.472 174.600 0.075 0.000 0.978 206 S CA 0.947 59.204 58.200 0.095 0.000 0.934 206 S CB 0.096 63.338 63.200 0.071 0.000 0.766 206 S HN 0.096 nan 8.310 nan 0.000 0.533 207 S N 1.196 116.943 115.700 0.078 0.000 2.453 207 S HA 0.275 4.748 4.470 0.006 0.000 0.231 207 S C 0.712 175.328 174.600 0.027 0.000 1.005 207 S CA 0.196 58.423 58.200 0.046 0.000 0.949 207 S CB -0.374 62.850 63.200 0.039 0.000 0.774 207 S HN 0.500 nan 8.310 nan 0.000 0.510 208 L N 1.454 122.702 121.223 0.041 0.000 2.418 208 L HA 0.409 4.753 4.340 0.006 0.000 0.265 208 L C -0.315 176.555 176.870 -0.001 0.000 1.143 208 L CA -0.052 54.792 54.840 0.005 0.000 0.809 208 L CB 0.600 42.670 42.059 0.019 0.000 1.124 208 L HN 0.125 nan 8.230 nan 0.000 0.456 209 I N 2.770 123.320 120.570 -0.034 0.000 2.466 209 I HA 0.204 4.378 4.170 0.006 0.000 0.279 209 I C -1.795 174.295 176.117 -0.046 0.000 1.033 209 I CA -1.358 59.922 61.300 -0.032 0.000 1.123 209 I CB 1.900 39.867 38.000 -0.054 0.000 1.237 209 I HN 0.366 nan 8.210 nan 0.000 0.460 210 P HA -0.146 nan 4.420 nan 0.000 0.220 210 P C 1.637 178.948 177.300 0.018 0.000 1.148 210 P CA 0.826 63.919 63.100 -0.013 0.000 0.803 210 P CB 0.325 32.061 31.700 0.060 0.000 0.782 211 A N 0.464 123.318 122.820 0.057 0.000 1.971 211 A HA -0.253 4.071 4.320 0.006 0.000 0.222 211 A C 2.241 179.825 177.584 0.000 0.000 1.182 211 A CA 2.273 54.361 52.037 0.085 0.000 0.649 211 A CB -1.567 17.429 19.000 -0.006 0.000 0.818 211 A HN 0.249 nan 8.150 nan 0.000 0.458 212 A N -0.995 121.751 122.820 -0.123 0.000 2.167 212 A HA 0.225 4.548 4.320 0.006 0.000 0.214 212 A C 2.004 179.457 177.584 -0.219 0.000 1.151 212 A CA 1.167 53.079 52.037 -0.209 0.000 0.735 212 A CB -0.508 18.362 19.000 -0.217 0.000 0.802 212 A HN 0.371 nan 8.150 nan 0.000 0.467 213 V N -1.377 118.359 119.914 -0.296 0.000 2.515 213 V HA -0.195 3.929 4.120 0.006 0.000 0.250 213 V C 1.999 177.807 176.094 -0.477 0.000 1.058 213 V CA 1.828 63.844 62.300 -0.473 0.000 1.064 213 V CB -0.875 30.512 31.823 -0.726 0.000 0.675 213 V HN 0.622 nan 8.190 nan 0.000 0.461 214 F N -1.323 118.554 119.950 -0.121 0.000 2.582 214 F HA 0.321 4.851 4.527 0.005 0.000 0.290 214 F C 1.314 177.072 175.800 -0.070 0.000 1.115 214 F CA 0.459 58.403 58.000 -0.095 0.000 1.445 214 F CB -0.013 38.925 39.000 -0.104 0.000 1.126 214 F HN 0.038 nan 8.300 nan 0.000 0.574 215 M N 2.269 121.885 119.600 0.026 0.000 2.634 215 M HA 0.265 4.749 4.480 0.006 0.000 0.211 215 M C -2.017 174.078 176.300 -0.341 0.000 1.019 215 M CA -1.344 53.892 55.300 -0.106 0.000 0.834 215 M CB 0.881 33.341 32.600 -0.233 0.000 1.376 215 M HN -0.245 nan 8.290 nan 0.000 0.465 216 P HA -0.150 nan 4.420 nan 0.000 0.228 216 P C 1.205 178.453 177.300 -0.087 0.000 1.151 216 P CA 1.172 64.204 63.100 -0.113 0.000 0.770 216 P CB -0.321 31.368 31.700 -0.018 0.000 0.786 217 W N -0.008 121.291 121.300 -0.001 0.000 2.465 217 W HA -0.038 4.624 4.660 0.002 0.000 0.268 217 W C 1.347 177.866 176.519 -0.000 0.000 1.242 217 W CA 0.016 57.360 57.345 -0.000 0.000 1.248 217 W CB -1.740 27.721 29.460 0.002 0.000 1.118 217 W HN -0.135 nan 8.180 nan 0.000 0.587 218 L N 1.170 121.862 121.223 -0.886 0.000 2.187 218 L HA -0.213 4.131 4.340 0.006 0.000 0.213 218 L C 2.613 179.323 176.870 -0.266 0.000 1.100 218 L CA 1.166 55.562 54.840 -0.741 0.000 0.765 218 L CB -0.639 40.972 42.059 -0.747 0.000 0.904 218 L HN -0.027 nan 8.230 nan 0.000 0.437 219 L N -0.749 120.364 121.223 -0.182 0.000 2.552 219 L HA -0.076 4.267 4.340 0.006 0.000 0.227 219 L C 2.004 178.864 176.870 -0.017 0.000 1.146 219 L CA 0.490 55.278 54.840 -0.086 0.000 0.858 219 L CB -0.308 41.700 42.059 -0.083 0.000 0.969 219 L HN 0.220 nan 8.230 nan 0.000 0.451 220 R N -0.235 120.285 120.500 0.033 0.000 2.334 220 R HA 0.234 4.577 4.340 0.006 0.000 0.220 220 R C 0.011 176.356 176.300 0.074 0.000 0.917 220 R CA -0.060 56.080 56.100 0.067 0.000 1.073 220 R CB 0.225 30.591 30.300 0.111 0.000 1.056 220 R HN 0.251 nan 8.270 nan 0.000 0.506 221 L N 3.228 124.486 121.223 0.059 0.000 2.292 221 L HA 0.321 4.664 4.340 0.006 0.000 0.284 221 L C -1.897 174.991 176.870 0.029 0.000 1.065 221 L CA -2.240 52.636 54.840 0.061 0.000 0.806 221 L CB 1.094 43.189 42.059 0.060 0.000 1.175 221 L HN -0.179 nan 8.230 nan 0.000 0.431 222 P HA 0.105 nan 4.420 nan 0.000 0.261 222 P C -1.097 176.211 177.300 0.014 0.000 1.203 222 P CA 0.266 63.377 63.100 0.020 0.000 0.767 222 P CB 0.502 32.216 31.700 0.022 0.000 0.785 223 L N 6.596 127.823 121.223 0.005 0.000 2.385 223 L HA 0.326 4.670 4.340 0.006 0.000 0.273 223 L C -1.370 175.502 176.870 0.004 0.000 0.990 223 L CA -2.223 52.618 54.840 0.002 0.000 0.821 223 L CB 2.466 44.519 42.059 -0.011 0.000 1.279 223 L HN 0.103 nan 8.230 nan 0.000 0.412 224 P HA -0.126 nan 4.420 nan 0.000 0.220 224 P C 0.972 178.278 177.300 0.010 0.000 1.148 224 P CA 0.837 63.943 63.100 0.010 0.000 0.803 224 P CB 0.385 32.092 31.700 0.012 0.000 0.782 225 Q N 0.301 120.106 119.800 0.007 0.000 2.014 225 Q HA -0.158 4.186 4.340 0.006 0.000 0.207 225 Q C 2.360 178.364 176.000 0.005 0.000 0.993 225 Q CA 2.501 58.309 55.803 0.009 0.000 0.850 225 Q CB -1.418 27.322 28.738 0.003 0.000 0.916 225 Q HN 0.320 nan 8.270 nan 0.000 0.417 226 S N 0.388 116.085 115.700 -0.004 0.000 2.400 226 S HA -0.145 4.329 4.470 0.006 0.000 0.232 226 S C 2.018 176.618 174.600 0.001 0.000 1.025 226 S CA 1.005 59.199 58.200 -0.009 0.000 0.993 226 S CB -0.486 62.703 63.200 -0.017 0.000 0.808 226 S HN 0.450 nan 8.310 nan 0.000 0.478 227 A N 1.823 124.647 122.820 0.006 0.000 1.970 227 A HA 0.096 4.420 4.320 0.006 0.000 0.216 227 A C 2.250 179.844 177.584 0.017 0.000 1.170 227 A CA 0.751 52.795 52.037 0.011 0.000 0.645 227 A CB -0.445 18.561 19.000 0.011 0.000 0.816 227 A HN 0.395 nan 8.150 nan 0.000 0.447 228 R N -1.083 119.428 120.500 0.019 0.000 2.105 228 R HA -0.174 4.170 4.340 0.006 0.000 0.239 228 R C 2.329 178.649 176.300 0.033 0.000 1.135 228 R CA 1.585 57.702 56.100 0.028 0.000 0.967 228 R CB -0.614 29.704 30.300 0.031 0.000 0.861 228 R HN 0.674 nan 8.270 nan 0.000 0.442 229 C N 0.270 119.586 119.300 0.026 0.000 2.486 229 C HA 0.047 4.511 4.460 0.006 0.000 0.279 229 C C 2.518 177.521 174.990 0.022 0.000 1.302 229 C CA 0.402 59.436 59.018 0.026 0.000 1.720 229 C CB -0.573 27.170 27.740 0.005 0.000 2.030 229 C HN 0.409 nan 8.230 nan 0.000 0.490 230 R N 0.669 121.180 120.500 0.017 0.000 2.081 230 R HA -0.130 4.213 4.340 0.006 0.000 0.235 230 R C 2.371 178.689 176.300 0.029 0.000 1.131 230 R CA 1.636 57.751 56.100 0.024 0.000 0.960 230 R CB -0.596 29.716 30.300 0.020 0.000 0.856 230 R HN 0.699 nan 8.270 nan 0.000 0.436 231 E N 1.019 121.236 120.200 0.027 0.000 2.058 231 E HA -0.216 4.137 4.350 0.006 0.000 0.194 231 E C 1.997 178.617 176.600 0.032 0.000 0.997 231 E CA 1.310 57.727 56.400 0.028 0.000 0.801 231 E CB -0.038 29.678 29.700 0.027 0.000 0.746 231 E HN 0.336 nan 8.360 nan 0.000 0.450 232 A N 1.690 124.534 122.820 0.041 0.000 1.865 232 A HA -0.237 4.087 4.320 0.006 0.000 0.217 232 A C 2.258 179.864 177.584 0.037 0.000 1.191 232 A CA 1.784 53.849 52.037 0.048 0.000 0.623 232 A CB -0.704 18.339 19.000 0.072 0.000 0.826 232 A HN 0.247 nan 8.150 nan 0.000 0.444 233 R N -0.551 119.974 120.500 0.043 0.000 2.083 233 R HA -0.156 4.188 4.340 0.006 0.000 0.237 233 R C 2.294 178.611 176.300 0.028 0.000 1.137 233 R CA 1.547 57.671 56.100 0.040 0.000 0.951 233 R CB -0.408 29.919 30.300 0.046 0.000 0.851 233 R HN 0.476 nan 8.270 nan 0.000 0.434 234 A N 0.477 123.316 122.820 0.031 0.000 2.015 234 A HA -0.167 4.157 4.320 0.006 0.000 0.219 234 A C 1.947 179.534 177.584 0.005 0.000 1.163 234 A CA 1.335 53.388 52.037 0.026 0.000 0.646 234 A CB -0.407 18.610 19.000 0.028 0.000 0.806 234 A HN 0.534 nan 8.150 nan 0.000 0.448 235 E N -0.373 119.826 120.200 -0.002 0.000 2.152 235 E HA -0.107 4.247 4.350 0.006 0.000 0.192 235 E C 1.894 178.452 176.600 -0.070 0.000 0.983 235 E CA 0.647 57.037 56.400 -0.018 0.000 0.818 235 E CB -0.114 29.590 29.700 0.005 0.000 0.758 235 E HN 0.638 nan 8.360 nan 0.000 0.467 236 L N 0.642 121.810 121.223 -0.092 0.000 2.027 236 L HA -0.202 4.141 4.340 0.006 0.000 0.206 236 L C 2.805 179.602 176.870 -0.123 0.000 1.074 236 L CA 1.375 56.116 54.840 -0.165 0.000 0.745 236 L CB -0.210 41.760 42.059 -0.149 0.000 0.898 236 L HN 0.222 nan 8.230 nan 0.000 0.433 237 Q N -0.108 119.659 119.800 -0.055 0.000 2.096 237 Q HA -0.304 4.040 4.340 0.006 0.000 0.204 237 Q C 2.236 178.213 176.000 -0.038 0.000 0.982 237 Q CA 1.950 57.735 55.803 -0.030 0.000 0.850 237 Q CB -0.012 28.739 28.738 0.022 0.000 0.901 237 Q HN 0.292 nan 8.270 nan 0.000 0.422 238 K N 0.319 120.699 120.400 -0.034 0.000 2.001 238 K HA -0.211 4.113 4.320 0.006 0.000 0.214 238 K C 2.008 178.577 176.600 -0.052 0.000 1.050 238 K CA 1.833 58.102 56.287 -0.032 0.000 0.934 238 K CB -0.299 32.189 32.500 -0.020 0.000 0.718 238 K HN 0.253 nan 8.250 nan 0.000 0.443 239 I N 1.439 121.962 120.570 -0.079 0.000 2.151 239 I HA -0.345 3.829 4.170 0.006 0.000 0.243 239 I C 2.343 178.386 176.117 -0.123 0.000 1.080 239 I CA 1.327 62.563 61.300 -0.106 0.000 1.339 239 I CB -0.275 37.626 38.000 -0.165 0.000 1.039 239 I HN 0.224 nan 8.210 nan 0.000 0.409 240 L N 0.247 121.384 121.223 -0.143 0.000 2.127 240 L HA -0.174 4.170 4.340 0.006 0.000 0.211 240 L C 2.564 179.381 176.870 -0.087 0.000 1.089 240 L CA 1.482 56.240 54.840 -0.136 0.000 0.757 240 L CB -1.055 40.927 42.059 -0.129 0.000 0.899 240 L HN 0.380 nan 8.230 nan 0.000 0.434 241 G N -0.737 108.026 108.800 -0.062 0.000 2.430 241 G HA2 -0.158 3.805 3.960 0.006 0.000 0.216 241 G HA3 -0.158 3.805 3.960 0.006 0.000 0.216 241 G C 1.419 176.296 174.900 -0.039 0.000 1.146 241 G CA 0.154 45.231 45.100 -0.039 0.000 0.793 241 G HN 0.399 nan 8.290 nan 0.000 0.537 242 E N -0.070 120.103 120.200 -0.045 0.000 2.152 242 E HA 0.013 4.367 4.350 0.006 0.000 0.192 242 E C 2.347 178.921 176.600 -0.044 0.000 0.983 242 E CA 0.273 56.650 56.400 -0.039 0.000 0.818 242 E CB -0.021 29.657 29.700 -0.037 0.000 0.758 242 E HN 0.446 nan 8.360 nan 0.000 0.467 243 I N 0.765 121.298 120.570 -0.062 0.000 2.315 243 I HA -0.232 3.941 4.170 0.006 0.000 0.248 243 I C 2.199 178.285 176.117 -0.053 0.000 1.117 243 I CA 0.905 62.166 61.300 -0.066 0.000 1.404 243 I CB 0.023 37.961 38.000 -0.102 0.000 1.071 243 I HN 0.065 nan 8.210 nan 0.000 0.419 244 I N -0.509 120.030 120.570 -0.051 0.000 2.353 244 I HA -0.218 3.955 4.170 0.006 0.000 0.248 244 I C 2.324 178.423 176.117 -0.029 0.000 1.119 244 I CA 0.935 62.211 61.300 -0.040 0.000 1.417 244 I CB -0.091 37.886 38.000 -0.038 0.000 1.078 244 I HN -0.027 nan 8.210 nan 0.000 0.421 245 V N 0.714 120.612 119.914 -0.027 0.000 2.270 245 V HA -0.254 3.870 4.120 0.006 0.000 0.245 245 V C 2.711 178.793 176.094 -0.019 0.000 1.043 245 V CA 1.791 64.078 62.300 -0.020 0.000 1.014 245 V CB -1.173 30.640 31.823 -0.017 0.000 0.645 245 V HN 0.470 nan 8.190 nan 0.000 0.447 246 A N 0.126 122.933 122.820 -0.021 0.000 1.884 246 A HA -0.345 3.979 4.320 0.006 0.000 0.219 246 A C 2.416 179.989 177.584 -0.018 0.000 1.197 246 A CA 2.579 54.605 52.037 -0.019 0.000 0.637 246 A CB -0.698 18.289 19.000 -0.022 0.000 0.827 246 A HN 0.466 nan 8.150 nan 0.000 0.450 247 R N -0.656 119.831 120.500 -0.022 0.000 2.148 247 R HA -0.082 4.262 4.340 0.006 0.000 0.227 247 R C 1.776 178.066 176.300 -0.017 0.000 1.103 247 R CA 1.408 57.496 56.100 -0.019 0.000 0.983 247 R CB -0.248 30.038 30.300 -0.024 0.000 0.874 247 R HN 0.613 nan 8.270 nan 0.000 0.451 248 E N 1.364 121.554 120.200 -0.018 0.000 2.365 248 E HA 0.004 4.358 4.350 0.006 0.000 0.188 248 E C -0.423 176.169 176.600 -0.013 0.000 1.102 248 E CA 0.275 56.666 56.400 -0.016 0.000 0.927 248 E CB -0.212 29.478 29.700 -0.016 0.000 1.073 248 E HN 0.355 nan 8.360 nan 0.000 0.467 249 K N 1.298 121.691 120.400 -0.012 0.000 2.579 249 K HA 0.351 4.675 4.320 0.006 0.000 0.225 249 K C -0.021 176.574 176.600 -0.008 0.000 0.992 249 K CA -0.040 56.242 56.287 -0.009 0.000 1.018 249 K CB 1.049 33.544 32.500 -0.009 0.000 1.249 249 K HN 0.326 nan 8.250 nan 0.000 0.489 258 T N -0.097 114.463 114.554 0.011 0.000 2.334 258 T HA 0.259 4.613 4.350 0.006 0.000 0.224 258 T C 2.416 177.122 174.700 0.010 0.000 1.464 258 T CA 4.182 66.285 62.100 0.006 0.000 1.331 258 T CB -1.481 67.391 68.868 0.006 0.000 0.874 258 T HN 1.577 nan 8.240 nan 0.000 0.385 259 S N 1.430 117.142 115.700 0.021 0.000 2.507 259 S HA 0.182 4.655 4.470 0.006 0.000 0.235 259 S C 1.017 175.650 174.600 0.054 0.000 0.988 259 S CA 1.299 59.516 58.200 0.027 0.000 0.944 259 S CB -0.663 62.554 63.200 0.028 0.000 0.762 259 S HN 0.906 nan 8.310 nan 0.000 0.526 260 D N 0.013 120.454 120.400 0.069 0.000 2.348 260 D HA 0.110 4.754 4.640 0.006 0.000 0.249 260 D C 1.226 177.592 176.300 0.109 0.000 1.110 260 D CA -0.748 53.318 54.000 0.111 0.000 0.967 260 D CB 0.576 41.469 40.800 0.155 0.000 1.139 260 D HN 0.054 nan 8.370 nan 0.000 0.466 261 L N 1.018 122.329 121.223 0.146 0.000 1.990 261 L HA -0.224 4.119 4.340 0.006 0.000 0.213 261 L C 2.231 179.178 176.870 0.129 0.000 1.072 261 L CA 1.610 56.529 54.840 0.132 0.000 0.755 261 L CB -0.573 41.577 42.059 0.152 0.000 0.889 261 L HN 0.517 nan 8.230 nan 0.000 0.432 262 L N 0.655 121.980 121.223 0.170 0.000 1.989 262 L HA -0.114 4.230 4.340 0.006 0.000 0.211 262 L C 2.444 179.324 176.870 0.017 0.000 1.071 262 L CA 2.374 57.255 54.840 0.068 0.000 0.749 262 L CB -1.434 40.625 42.059 0.001 0.000 0.890 262 L HN 0.265 nan 8.230 nan 0.000 0.431 263 G N -1.341 107.471 108.800 0.019 0.000 2.462 263 G HA2 -0.193 3.771 3.960 0.006 0.000 0.220 263 G HA3 -0.193 3.771 3.960 0.006 0.000 0.220 263 G C 1.472 176.350 174.900 -0.036 0.000 1.121 263 G CA 0.642 45.736 45.100 -0.010 0.000 0.758 263 G HN 0.659 nan 8.290 nan 0.000 0.559 264 G N 1.036 109.819 108.800 -0.027 0.000 2.433 264 G HA2 -0.136 3.828 3.960 0.006 0.000 0.216 264 G HA3 -0.136 3.828 3.960 0.006 0.000 0.216 264 G C 1.757 176.578 174.900 -0.132 0.000 1.186 264 G CA 0.863 45.923 45.100 -0.068 0.000 0.779 264 G HN 0.429 nan 8.290 nan 0.000 0.543 265 L N 0.131 121.295 121.223 -0.098 0.000 2.109 265 L HA 0.146 4.490 4.340 0.006 0.000 0.207 265 L C 2.769 179.545 176.870 -0.157 0.000 1.086 265 L CA 0.130 54.889 54.840 -0.135 0.000 0.760 265 L CB -0.418 41.614 42.059 -0.045 0.000 0.910 265 L HN 0.112 nan 8.230 nan 0.000 0.437 266 L N 0.737 121.899 121.223 -0.103 0.000 2.151 266 L HA -0.326 4.018 4.340 0.006 0.000 0.215 266 L C 2.882 179.673 176.870 -0.132 0.000 1.084 266 L CA 2.128 56.910 54.840 -0.096 0.000 0.764 266 L CB -0.741 41.279 42.059 -0.065 0.000 0.891 266 L HN 0.415 nan 8.230 nan 0.000 0.435 267 K N -0.494 119.803 120.400 -0.172 0.000 2.354 267 K HA 0.481 4.804 4.320 0.006 0.000 0.194 267 K C 0.857 177.271 176.600 -0.310 0.000 1.038 267 K CA 0.525 56.699 56.287 -0.190 0.000 1.052 267 K CB -0.261 32.150 32.500 -0.148 0.000 0.861 267 K HN 0.287 nan 8.250 nan 0.000 0.535 268 A N 1.023 123.564 122.820 -0.466 0.000 2.522 268 A HA 0.483 4.806 4.320 0.006 0.000 0.256 268 A C 0.013 177.208 177.584 -0.649 0.000 1.086 268 A CA 0.070 51.575 52.037 -0.885 0.000 0.763 268 A CB -0.060 18.156 19.000 -1.306 0.000 1.024 268 A HN 0.353 nan 8.150 nan 0.000 0.502 269 V N 4.772 124.385 119.914 -0.503 0.000 2.417 269 V HA 0.241 4.364 4.120 0.006 0.000 0.291 269 V C -0.166 175.956 176.094 0.048 0.000 1.024 269 V CA -0.528 61.651 62.300 -0.202 0.000 0.861 269 V CB 0.648 32.424 31.823 -0.079 0.000 0.985 269 V HN 0.829 nan 8.190 nan 0.000 0.436 270 Y N 2.824 123.276 120.300 0.253 0.000 2.469 270 Y HA 0.016 4.570 4.550 0.006 0.000 0.353 270 Y C 2.034 178.030 175.900 0.160 0.000 1.269 270 Y CA 0.198 58.461 58.100 0.273 0.000 1.504 270 Y CB 0.310 38.862 38.460 0.154 0.000 1.369 270 Y HN 0.525 nan 8.280 nan 0.000 0.654 271 R N 0.254 120.931 120.500 0.296 0.000 2.134 271 R HA -0.241 4.103 4.340 0.006 0.000 0.248 271 R C 0.416 176.793 176.300 0.128 0.000 1.143 271 R CA 2.076 58.270 56.100 0.155 0.000 0.957 271 R CB -0.747 29.607 30.300 0.089 0.000 0.867 271 R HN 0.856 nan 8.270 nan 0.000 0.441 272 D N -2.176 118.305 120.400 0.135 0.000 2.325 272 D HA -0.009 4.635 4.640 0.006 0.000 0.262 272 D C 1.242 177.607 176.300 0.108 0.000 1.263 272 D CA 0.329 54.385 54.000 0.092 0.000 1.020 272 D CB -0.428 40.408 40.800 0.060 0.000 1.117 272 D HN 0.057 nan 8.370 nan 0.000 0.545 273 G N -1.858 106.990 108.800 0.081 0.000 2.598 273 G HA2 0.023 3.986 3.960 0.006 0.000 0.215 273 G HA3 0.023 3.986 3.960 0.006 0.000 0.215 273 G C 0.699 175.658 174.900 0.098 0.000 1.131 273 G CA 1.065 46.210 45.100 0.075 0.000 0.785 273 G HN 0.773 nan 8.290 nan 0.000 0.539 274 T N -1.808 112.841 114.554 0.157 0.000 2.918 274 T HA 0.647 5.000 4.350 0.006 0.000 0.283 274 T C 0.101 174.933 174.700 0.220 0.000 1.001 274 T CA -0.853 61.357 62.100 0.184 0.000 1.041 274 T CB 2.169 71.166 68.868 0.215 0.000 1.028 274 T HN 0.099 nan 8.240 nan 0.000 0.511 275 R N 0.960 121.539 120.500 0.132 0.000 2.643 275 R HA 0.454 4.798 4.340 0.006 0.000 0.272 275 R C 0.248 176.596 176.300 0.080 0.000 0.995 275 R CA -0.934 55.173 56.100 0.012 0.000 1.032 275 R CB 1.227 31.514 30.300 -0.022 0.000 1.126 275 R HN 0.635 nan 8.270 nan 0.000 0.505 276 M N 1.654 121.214 119.600 -0.067 0.000 2.252 276 M HA 0.014 4.497 4.480 0.006 0.000 0.348 276 M C 0.714 177.067 176.300 0.088 0.000 1.334 276 M CA 0.355 55.694 55.300 0.065 0.000 1.071 276 M CB 0.572 33.154 32.600 -0.029 0.000 1.763 276 M HN 0.657 nan 8.290 nan 0.000 0.452 277 S N 2.617 118.403 115.700 0.143 0.000 2.579 277 S HA 0.070 4.544 4.470 0.006 0.000 0.275 277 S C 0.918 175.574 174.600 0.093 0.000 1.345 277 S CA -0.859 57.408 58.200 0.112 0.000 1.031 277 S CB 0.835 64.119 63.200 0.140 0.000 0.892 277 S HN 0.744 nan 8.310 nan 0.000 0.529 278 L N 1.645 122.913 121.223 0.075 0.000 2.010 278 L HA -0.207 4.136 4.340 0.006 0.000 0.219 278 L C 2.395 179.322 176.870 0.094 0.000 1.077 278 L CA 2.818 57.696 54.840 0.064 0.000 0.773 278 L CB -1.653 40.436 42.059 0.050 0.000 0.892 278 L HN 1.068 nan 8.230 nan 0.000 0.436 279 H N -0.425 118.664 119.070 0.032 0.000 2.321 279 H HA -0.220 4.339 4.556 0.006 0.000 0.295 279 H C 2.113 177.475 175.328 0.058 0.000 1.102 279 H CA 2.523 58.596 56.048 0.041 0.000 1.266 279 H CB -0.061 29.724 29.762 0.039 0.000 1.363 279 H HN 0.606 nan 8.280 nan 0.000 0.492 280 E N -0.751 119.474 120.200 0.043 0.000 2.072 280 E HA -0.106 4.247 4.350 0.006 0.000 0.191 280 E C 2.510 179.110 176.600 0.001 0.000 0.985 280 E CA 1.159 57.562 56.400 0.005 0.000 0.801 280 E CB 0.010 29.791 29.700 0.135 0.000 0.750 280 E HN 0.255 nan 8.360 nan 0.000 0.452 281 V N 1.239 121.166 119.914 0.021 0.000 2.233 281 V HA -0.356 3.768 4.120 0.006 0.000 0.247 281 V C 2.537 178.635 176.094 0.006 0.000 1.050 281 V CA 1.830 64.137 62.300 0.011 0.000 1.010 281 V CB -0.586 31.238 31.823 0.002 0.000 0.637 281 V HN 0.570 nan 8.190 nan 0.000 0.444 282 C N 0.994 120.289 119.300 -0.007 0.000 2.385 282 C HA -0.184 4.279 4.460 0.006 0.000 0.275 282 C C 2.996 177.984 174.990 -0.003 0.000 1.207 282 C CA 1.182 60.196 59.018 -0.008 0.000 1.760 282 C CB -1.663 26.067 27.740 -0.017 0.000 2.051 282 C HN 0.678 nan 8.230 nan 0.000 0.467 283 G N 0.446 109.201 108.800 -0.075 0.000 2.599 283 G HA2 -0.295 3.668 3.960 0.006 0.000 0.219 283 G HA3 -0.295 3.668 3.960 0.006 0.000 0.219 283 G C 1.511 176.418 174.900 0.012 0.000 1.193 283 G CA 1.541 46.611 45.100 -0.050 0.000 0.778 283 G HN 0.497 nan 8.290 nan 0.000 0.589 284 M N 0.104 119.705 119.600 0.001 0.000 2.319 284 M HA 0.186 4.670 4.480 0.006 0.000 0.265 284 M C 2.637 178.978 176.300 0.069 0.000 1.068 284 M CA 0.559 55.863 55.300 0.006 0.000 1.118 284 M CB -0.810 31.800 32.600 0.017 0.000 1.395 284 M HN 0.272 nan 8.290 nan 0.000 0.435 285 I N -0.466 120.170 120.570 0.110 0.000 2.163 285 I HA -0.239 3.935 4.170 0.006 0.000 0.240 285 I C 2.372 178.642 176.117 0.254 0.000 1.081 285 I CA 0.899 62.318 61.300 0.198 0.000 1.353 285 I CB -0.528 37.603 38.000 0.219 0.000 1.054 285 I HN -0.013 nan 8.210 nan 0.000 0.407 286 V N 1.214 121.273 119.914 0.242 0.000 2.332 286 V HA -0.342 3.782 4.120 0.006 0.000 0.248 286 V C 2.712 179.012 176.094 0.344 0.000 1.055 286 V CA 2.153 64.637 62.300 0.306 0.000 1.038 286 V CB -1.169 30.796 31.823 0.237 0.000 0.651 286 V HN 0.518 nan 8.190 nan 0.000 0.450 287 A N -0.093 122.885 122.820 0.264 0.000 1.873 287 A HA -0.060 4.263 4.320 0.006 0.000 0.215 287 A C 2.441 180.169 177.584 0.239 0.000 1.186 287 A CA 2.031 54.223 52.037 0.259 0.000 0.616 287 A CB -0.857 18.076 19.000 -0.111 0.000 0.823 287 A HN 0.570 nan 8.150 nan 0.000 0.442 288 A N -0.697 122.208 122.820 0.143 0.000 1.902 288 A HA -0.127 4.196 4.320 0.006 0.000 0.217 288 A C 2.207 179.848 177.584 0.094 0.000 1.181 288 A CA 2.075 54.168 52.037 0.093 0.000 0.623 288 A CB -0.462 18.549 19.000 0.019 0.000 0.818 288 A HN 0.459 nan 8.150 nan 0.000 0.443 289 M N -2.164 117.504 119.600 0.113 0.000 2.193 289 M HA 0.061 4.544 4.480 0.006 0.000 0.265 289 M C 2.152 178.500 176.300 0.080 0.000 1.071 289 M CA 0.962 56.260 55.300 -0.004 0.000 1.140 289 M CB -1.541 30.947 32.600 -0.186 0.000 1.369 289 M HN 0.462 nan 8.290 nan 0.000 0.423 290 F N 1.721 121.731 119.950 0.100 0.000 2.091 290 F HA -0.260 4.270 4.527 0.005 0.000 0.299 290 F C 2.473 178.366 175.800 0.155 0.000 1.103 290 F CA 2.055 60.141 58.000 0.143 0.000 1.228 290 F CB -0.262 38.865 39.000 0.212 0.000 0.984 290 F HN 0.158 nan 8.300 nan 0.000 0.477 291 A N -0.008 123.046 122.820 0.390 0.000 1.851 291 A HA -0.140 4.183 4.320 0.006 0.000 0.216 291 A C 2.445 180.131 177.584 0.170 0.000 1.195 291 A CA 1.995 54.213 52.037 0.303 0.000 0.622 291 A CB -1.781 17.395 19.000 0.294 0.000 0.831 291 A HN 0.504 nan 8.150 nan 0.000 0.444 292 G N -1.662 107.214 108.800 0.128 0.000 2.430 292 G HA2 -0.067 3.896 3.960 0.006 0.000 0.216 292 G HA3 -0.067 3.896 3.960 0.006 0.000 0.216 292 G C 1.550 176.475 174.900 0.042 0.000 1.146 292 G CA 1.147 46.314 45.100 0.112 0.000 0.793 292 G HN 0.496 nan 8.290 nan 0.000 0.537 293 Q N 0.540 120.320 119.800 -0.034 0.000 1.985 293 Q HA -0.195 4.149 4.340 0.006 0.000 0.207 293 Q C 2.125 178.095 176.000 -0.050 0.000 0.996 293 Q CA 2.264 58.011 55.803 -0.093 0.000 0.851 293 Q CB -0.803 27.832 28.738 -0.171 0.000 0.921 293 Q HN 0.716 nan 8.270 nan 0.000 0.418 294 H N -1.611 117.369 119.070 -0.149 0.000 2.403 294 H HA -0.026 4.533 4.556 0.005 0.000 0.298 294 H C 1.793 177.093 175.328 -0.046 0.000 1.059 294 H CA 1.422 57.401 56.048 -0.115 0.000 1.363 294 H CB 0.333 30.004 29.762 -0.152 0.000 1.410 294 H HN 0.568 nan 8.280 nan 0.000 0.528 295 T N -2.213 112.414 114.554 0.123 0.000 2.812 295 T HA -0.083 4.271 4.350 0.006 0.000 0.264 295 T C 2.161 176.927 174.700 0.111 0.000 1.042 295 T CA 1.202 63.362 62.100 0.101 0.000 1.140 295 T CB -0.323 68.611 68.868 0.110 0.000 0.870 295 T HN 0.128 nan 8.240 nan 0.000 0.445 296 S N 1.330 117.093 115.700 0.105 0.000 2.387 296 S HA -0.051 4.423 4.470 0.006 0.000 0.226 296 S C 2.321 176.946 174.600 0.043 0.000 1.026 296 S CA 1.267 59.519 58.200 0.086 0.000 0.972 296 S CB -0.901 62.340 63.200 0.070 0.000 0.814 296 S HN 0.610 nan 8.310 nan 0.000 0.477 297 T N 3.161 117.725 114.554 0.018 0.000 2.635 297 T HA -0.066 4.288 4.350 0.006 0.000 0.267 297 T C 1.740 176.433 174.700 -0.012 0.000 1.040 297 T CA 1.402 63.485 62.100 -0.028 0.000 1.156 297 T CB -0.545 68.284 68.868 -0.066 0.000 0.863 297 T HN 0.296 nan 8.240 nan 0.000 0.430 298 I N 0.891 121.495 120.570 0.057 0.000 2.163 298 I HA -0.225 3.949 4.170 0.006 0.000 0.243 298 I C 2.727 178.898 176.117 0.090 0.000 1.085 298 I CA 1.305 62.620 61.300 0.024 0.000 1.347 298 I CB -0.656 37.404 38.000 0.099 0.000 1.044 298 I HN 0.281 nan 8.210 nan 0.000 0.408 299 T N -0.170 114.476 114.554 0.154 0.000 2.746 299 T HA -0.158 4.196 4.350 0.006 0.000 0.267 299 T C 1.897 176.690 174.700 0.154 0.000 1.039 299 T CA 1.998 64.222 62.100 0.207 0.000 1.142 299 T CB -0.327 68.638 68.868 0.161 0.000 0.866 299 T HN 0.378 nan 8.240 nan 0.000 0.444 300 T N 1.929 116.524 114.554 0.069 0.000 2.708 300 T HA -0.099 4.254 4.350 0.006 0.000 0.266 300 T C 2.437 177.135 174.700 -0.004 0.000 1.037 300 T CA 1.480 63.597 62.100 0.029 0.000 1.146 300 T CB -0.434 68.416 68.868 -0.029 0.000 0.865 300 T HN 0.315 nan 8.240 nan 0.000 0.435 301 S N 0.316 115.974 115.700 -0.070 0.000 2.351 301 S HA -0.133 4.340 4.470 0.006 0.000 0.220 301 S C 1.693 176.203 174.600 -0.149 0.000 1.035 301 S CA 1.285 59.382 58.200 -0.171 0.000 1.031 301 S CB -0.675 62.355 63.200 -0.284 0.000 0.928 301 S HN 0.609 nan 8.310 nan 0.000 0.433 302 W N 1.853 123.089 121.300 -0.106 0.000 2.302 302 W HA -0.206 4.457 4.660 0.006 0.000 0.320 302 W C 3.010 179.425 176.519 -0.173 0.000 1.241 302 W CA 1.125 58.370 57.345 -0.167 0.000 1.264 302 W CB -0.698 28.745 29.460 -0.029 0.000 1.154 302 W HN 0.202 nan 8.180 nan 0.000 0.483 303 S N 0.234 116.070 115.700 0.228 0.000 2.365 303 S HA -0.280 4.193 4.470 0.006 0.000 0.225 303 S C 1.678 176.324 174.600 0.076 0.000 1.039 303 S CA 1.927 60.233 58.200 0.178 0.000 1.033 303 S CB -0.611 62.705 63.200 0.193 0.000 0.887 303 S HN 0.240 nan 8.310 nan 0.000 0.447 304 M N 0.625 120.268 119.600 0.071 0.000 2.086 304 M HA -0.065 4.418 4.480 0.006 0.000 0.261 304 M C 2.070 178.371 176.300 0.002 0.000 1.067 304 M CA 1.318 56.682 55.300 0.106 0.000 1.116 304 M CB -0.689 31.851 32.600 -0.099 0.000 1.348 304 M HN 0.228 nan 8.290 nan 0.000 0.407 305 L N -0.732 120.410 121.223 -0.135 0.000 2.043 305 L HA -0.279 4.065 4.340 0.006 0.000 0.212 305 L C 2.741 179.485 176.870 -0.210 0.000 1.075 305 L CA 1.214 55.945 54.840 -0.182 0.000 0.752 305 L CB -1.053 40.853 42.059 -0.255 0.000 0.891 305 L HN 0.381 nan 8.230 nan 0.000 0.432 306 H N -0.295 118.604 119.070 -0.285 0.000 2.299 306 H HA -0.105 4.455 4.556 0.006 0.000 0.302 306 H C 2.424 177.559 175.328 -0.323 0.000 1.078 306 H CA 1.509 57.193 56.048 -0.606 0.000 1.323 306 H CB -0.403 28.229 29.762 -1.884 0.000 1.381 306 H HN 0.268 nan 8.280 nan 0.000 0.498 307 L N 0.886 122.038 121.223 -0.117 0.000 2.042 307 L HA -0.219 4.125 4.340 0.006 0.000 0.210 307 L C 2.811 179.789 176.870 0.179 0.000 1.076 307 L CA 1.597 56.475 54.840 0.063 0.000 0.749 307 L CB -0.407 41.614 42.059 -0.064 0.000 0.893 307 L HN 0.306 nan 8.230 nan 0.000 0.432 308 M N -2.017 117.728 119.600 0.241 0.000 2.492 308 M HA -0.046 4.438 4.480 0.006 0.000 0.262 308 M C 1.036 177.457 176.300 0.201 0.000 1.090 308 M CA 0.974 56.449 55.300 0.290 0.000 1.110 308 M CB -0.453 32.327 32.600 0.299 0.000 1.407 308 M HN 0.080 nan 8.290 nan 0.000 0.470 309 H N 3.215 122.350 119.070 0.108 0.000 2.886 309 H HA 0.120 4.680 4.556 0.006 0.000 0.329 309 H C -1.785 173.616 175.328 0.122 0.000 1.044 309 H CA -0.869 55.238 56.048 0.099 0.000 1.456 309 H CB 1.080 30.893 29.762 0.086 0.000 1.464 309 H HN 0.064 nan 8.280 nan 0.000 0.573 310 P HA -0.237 nan 4.420 nan 0.000 0.218 310 P C 0.967 178.350 177.300 0.139 0.000 1.154 310 P CA 2.176 65.257 63.100 -0.031 0.000 0.872 310 P CB 0.057 31.672 31.700 -0.142 0.000 0.790 311 K N -1.699 118.904 120.400 0.338 0.000 2.525 311 K HA 0.032 4.356 4.320 0.006 0.000 0.192 311 K C 0.823 177.582 176.600 0.264 0.000 1.029 311 K CA 0.702 57.156 56.287 0.280 0.000 1.029 311 K CB -0.492 32.184 32.500 0.294 0.000 0.814 311 K HN 0.003 nan 8.250 nan 0.000 0.503 312 N N 0.888 119.776 118.700 0.314 0.000 2.204 312 N HA 0.055 4.799 4.740 0.006 0.000 0.219 312 N C 0.560 176.206 175.510 0.227 0.000 1.151 312 N CA -0.098 53.181 53.050 0.381 0.000 0.867 312 N CB 0.531 39.336 38.487 0.529 0.000 1.043 312 N HN 0.072 nan 8.380 nan 0.000 0.516 313 K N 1.764 122.235 120.400 0.119 0.000 2.077 313 K HA -0.195 4.129 4.320 0.006 0.000 0.213 313 K C 1.708 178.293 176.600 -0.024 0.000 1.051 313 K CA 1.245 57.569 56.287 0.061 0.000 0.929 313 K CB -0.086 32.432 32.500 0.030 0.000 0.715 313 K HN 0.246 nan 8.250 nan 0.000 0.451 314 K N -0.715 119.562 120.400 -0.205 0.000 2.089 314 K HA -0.196 4.127 4.320 0.006 0.000 0.210 314 K C 2.176 178.573 176.600 -0.339 0.000 1.048 314 K CA 2.151 58.182 56.287 -0.427 0.000 0.926 314 K CB -0.233 31.777 32.500 -0.818 0.000 0.714 314 K HN 0.281 nan 8.250 nan 0.000 0.448 315 W N 0.302 121.709 121.300 0.179 0.000 2.494 315 W HA -0.049 4.614 4.660 0.006 0.000 0.286 315 W C 1.936 178.587 176.519 0.220 0.000 1.218 315 W CA -0.642 56.874 57.345 0.285 0.000 1.313 315 W CB -0.319 29.432 29.460 0.486 0.000 1.105 315 W HN 0.098 nan 8.180 nan 0.000 0.561 316 L N 1.229 122.644 121.223 0.321 0.000 2.042 316 L HA -0.204 4.139 4.340 0.006 0.000 0.210 316 L C 1.705 178.632 176.870 0.095 0.000 1.076 316 L CA 2.040 56.953 54.840 0.123 0.000 0.749 316 L CB -1.045 41.090 42.059 0.127 0.000 0.893 316 L HN -0.122 nan 8.230 nan 0.000 0.432 317 D N -0.327 120.141 120.400 0.113 0.000 2.123 317 D HA -0.235 4.408 4.640 0.006 0.000 0.196 317 D C 2.154 178.461 176.300 0.011 0.000 0.992 317 D CA 1.356 55.411 54.000 0.091 0.000 0.833 317 D CB -0.079 40.734 40.800 0.021 0.000 0.954 317 D HN 0.368 nan 8.370 nan 0.000 0.455 318 K N 0.043 120.388 120.400 -0.092 0.000 2.097 318 K HA -0.139 4.184 4.320 0.006 0.000 0.206 318 K C 2.125 178.559 176.600 -0.276 0.000 1.049 318 K CA 0.506 56.593 56.287 -0.333 0.000 0.933 318 K CB -0.134 31.916 32.500 -0.750 0.000 0.717 318 K HN -0.003 nan 8.250 nan 0.000 0.442 319 L N 0.674 121.876 121.223 -0.036 0.000 2.005 319 L HA -0.190 4.154 4.340 0.006 0.000 0.207 319 L C 2.147 179.043 176.870 0.044 0.000 1.072 319 L CA 1.811 56.716 54.840 0.109 0.000 0.744 319 L CB -0.565 41.541 42.059 0.079 0.000 0.895 319 L HN 0.293 nan 8.230 nan 0.000 0.433 320 H N 0.033 119.155 119.070 0.087 0.000 2.357 320 H HA -0.247 4.312 4.556 0.006 0.000 0.296 320 H C 2.248 177.617 175.328 0.069 0.000 1.108 320 H CA 1.993 58.099 56.048 0.097 0.000 1.273 320 H CB -0.166 29.648 29.762 0.088 0.000 1.367 320 H HN 0.373 nan 8.280 nan 0.000 0.498 321 K N 0.635 121.112 120.400 0.128 0.000 2.209 321 K HA -0.146 4.178 4.320 0.006 0.000 0.204 321 K C 2.214 178.835 176.600 0.034 0.000 1.048 321 K CA 1.197 57.512 56.287 0.045 0.000 0.940 321 K CB 0.192 32.681 32.500 -0.018 0.000 0.729 321 K HN 0.316 nan 8.250 nan 0.000 0.451 322 E N 0.533 120.777 120.200 0.073 0.000 2.051 322 E HA -0.133 4.220 4.350 0.006 0.000 0.189 322 E C 1.893 178.625 176.600 0.220 0.000 0.979 322 E CA 1.248 57.729 56.400 0.134 0.000 0.803 322 E CB 0.007 29.841 29.700 0.223 0.000 0.761 322 E HN 0.492 nan 8.360 nan 0.000 0.451 323 I N -1.794 118.945 120.570 0.281 0.000 2.852 323 I HA 0.025 4.199 4.170 0.006 0.000 0.264 323 I C 0.826 177.148 176.117 0.342 0.000 1.179 323 I CA 0.574 62.127 61.300 0.422 0.000 1.480 323 I CB -0.000 38.200 38.000 0.334 0.000 1.111 323 I HN -0.171 nan 8.210 nan 0.000 0.441 324 D N 2.261 122.788 120.400 0.211 0.000 2.378 324 D HA -0.043 4.600 4.640 0.006 0.000 0.227 324 D C 2.270 178.596 176.300 0.043 0.000 1.012 324 D CA 1.239 55.324 54.000 0.142 0.000 0.905 324 D CB 0.131 41.000 40.800 0.116 0.000 0.895 324 D HN 0.714 nan 8.370 nan 0.000 0.532 325 E N 0.218 120.374 120.200 -0.073 0.000 2.216 325 E HA -0.020 4.333 4.350 0.006 0.000 0.192 325 E C 0.630 177.057 176.600 -0.289 0.000 0.988 325 E CA 0.360 56.599 56.400 -0.268 0.000 0.834 325 E CB -0.492 28.908 29.700 -0.500 0.000 0.772 325 E HN 0.167 nan 8.360 nan 0.000 0.479 326 F N 0.492 120.480 119.950 0.063 0.000 2.377 326 F HA 0.467 4.997 4.527 0.006 0.000 0.328 326 F C -1.529 174.308 175.800 0.062 0.000 1.094 326 F CA -2.688 55.349 58.000 0.062 0.000 1.093 326 F CB 1.330 40.372 39.000 0.070 0.000 1.214 326 F HN -0.064 nan 8.300 nan 0.000 0.518 327 P HA 0.122 nan 4.420 nan 0.000 0.275 327 P C 0.039 177.432 177.300 0.155 0.000 1.270 327 P CA -0.138 63.062 63.100 0.166 0.000 0.791 327 P CB 0.501 32.285 31.700 0.140 0.000 1.089 328 A N -0.381 122.507 122.820 0.114 0.000 1.898 328 A HA 0.009 4.333 4.320 0.006 0.000 0.216 328 A C 1.640 179.282 177.584 0.096 0.000 1.181 328 A CA 1.922 54.020 52.037 0.101 0.000 0.620 328 A CB -1.571 17.477 19.000 0.080 0.000 0.819 328 A HN 0.731 nan 8.150 nan 0.000 0.442 329 Q N 0.212 120.067 119.800 0.091 0.000 2.331 329 Q HA 0.663 5.006 4.340 0.006 0.000 0.257 329 Q C -0.399 175.649 176.000 0.081 0.000 0.957 329 Q CA -0.500 55.352 55.803 0.082 0.000 0.923 329 Q CB -0.004 28.779 28.738 0.075 0.000 1.212 329 Q HN 0.572 nan 8.270 nan 0.000 0.443 330 L N 2.131 123.388 121.223 0.057 0.000 2.421 330 L HA 0.573 4.917 4.340 0.006 0.000 0.263 330 L C 0.917 177.807 176.870 0.033 0.000 1.122 330 L CA -0.822 54.026 54.840 0.013 0.000 0.804 330 L CB 1.264 43.287 42.059 -0.061 0.000 1.150 330 L HN 1.028 nan 8.230 nan 0.000 0.457 331 N N -1.018 117.694 118.700 0.021 0.000 2.577 331 N HA 0.135 4.878 4.740 0.006 0.000 0.285 331 N C 0.544 176.107 175.510 0.088 0.000 1.309 331 N CA -0.809 52.288 53.050 0.078 0.000 0.798 331 N CB 1.218 39.767 38.487 0.103 0.000 1.463 331 N HN 0.553 nan 8.380 nan 0.000 0.518 332 Y N 0.706 121.030 120.300 0.040 0.000 2.030 332 Y HA -0.336 4.217 4.550 0.006 0.000 0.272 332 Y C 1.646 177.557 175.900 0.019 0.000 1.185 332 Y CA 2.370 60.501 58.100 0.052 0.000 1.120 332 Y CB -0.434 38.059 38.460 0.056 0.000 0.955 332 Y HN 0.574 nan 8.280 nan 0.000 0.495 333 D N -0.224 120.215 120.400 0.064 0.000 2.117 333 D HA -0.202 4.441 4.640 0.006 0.000 0.197 333 D C 1.787 178.040 176.300 -0.078 0.000 0.987 333 D CA 1.414 55.399 54.000 -0.024 0.000 0.829 333 D CB -0.497 40.365 40.800 0.104 0.000 0.961 333 D HN 0.465 nan 8.370 nan 0.000 0.460 334 N N 0.812 119.467 118.700 -0.075 0.000 2.011 334 N HA -0.146 4.597 4.740 0.006 0.000 0.199 334 N C 2.141 177.438 175.510 -0.356 0.000 1.047 334 N CA 0.957 53.846 53.050 -0.268 0.000 0.863 334 N CB -0.771 37.438 38.487 -0.463 0.000 1.056 334 N HN 0.107 nan 8.380 nan 0.000 0.427 335 V N 1.183 120.920 119.914 -0.295 0.000 2.427 335 V HA -0.133 3.991 4.120 0.006 0.000 0.248 335 V C 2.353 178.320 176.094 -0.213 0.000 1.051 335 V CA 1.195 63.353 62.300 -0.237 0.000 1.048 335 V CB -0.291 31.438 31.823 -0.157 0.000 0.666 335 V HN 0.250 nan 8.190 nan 0.000 0.456 336 M N -0.365 119.047 119.600 -0.314 0.000 2.191 336 M HA 0.002 4.486 4.480 0.006 0.000 0.262 336 M C 1.666 177.844 176.300 -0.202 0.000 1.083 336 M CA 1.548 56.638 55.300 -0.349 0.000 1.154 336 M CB -0.855 31.293 32.600 -0.755 0.000 1.344 336 M HN 0.338 nan 8.290 nan 0.000 0.431 337 D N -0.395 119.914 120.400 -0.152 0.000 2.389 337 D HA 0.043 4.686 4.640 0.006 0.000 0.206 337 D C 0.687 176.992 176.300 0.008 0.000 1.055 337 D CA 0.467 54.433 54.000 -0.058 0.000 0.856 337 D CB 0.316 41.099 40.800 -0.028 0.000 0.957 337 D HN 0.474 nan 8.370 nan 0.000 0.509 338 E N -0.174 120.049 120.200 0.038 0.000 2.660 338 E HA 0.251 4.605 4.350 0.006 0.000 0.216 338 E C 0.274 177.012 176.600 0.231 0.000 0.986 338 E CA -0.011 56.491 56.400 0.170 0.000 1.037 338 E CB 0.794 30.686 29.700 0.319 0.000 1.041 338 E HN 0.078 nan 8.360 nan 0.000 0.480 339 M N 1.826 121.486 119.600 0.101 0.000 3.062 339 M HA 0.207 4.690 4.480 0.006 0.000 0.270 339 M C -2.056 174.289 176.300 0.076 0.000 1.270 339 M CA -1.394 53.978 55.300 0.119 0.000 0.702 339 M CB 0.922 33.551 32.600 0.048 0.000 1.398 339 M HN -0.129 nan 8.290 nan 0.000 0.490 340 P HA -0.142 nan 4.420 nan 0.000 0.223 340 P C 1.195 178.526 177.300 0.052 0.000 1.151 340 P CA 1.172 64.297 63.100 0.042 0.000 0.787 340 P CB 0.110 31.840 31.700 0.049 0.000 0.788 341 F N 1.575 121.525 119.950 -0.001 0.000 2.149 341 F HA 0.123 4.653 4.527 0.006 0.000 0.294 341 F C 2.456 178.241 175.800 -0.025 0.000 1.095 341 F CA 1.242 59.231 58.000 -0.018 0.000 1.276 341 F CB -0.855 38.158 39.000 0.021 0.000 1.023 341 F HN -0.093 nan 8.300 nan 0.000 0.480 342 A N 0.145 122.966 122.820 0.000 0.000 1.892 342 A HA -0.320 4.004 4.320 0.006 0.000 0.218 342 A C 2.189 179.681 177.584 -0.152 0.000 1.188 342 A CA 2.188 54.184 52.037 -0.069 0.000 0.631 342 A CB -1.206 17.821 19.000 0.046 0.000 0.822 342 A HN 0.575 nan 8.150 nan 0.000 0.447 343 E N -0.579 119.549 120.200 -0.119 0.000 2.058 343 E HA -0.233 4.121 4.350 0.006 0.000 0.194 343 E C 2.296 178.766 176.600 -0.217 0.000 0.997 343 E CA 1.338 57.665 56.400 -0.122 0.000 0.801 343 E CB -0.124 29.521 29.700 -0.092 0.000 0.746 343 E HN 0.587 nan 8.360 nan 0.000 0.450 344 R N -0.267 120.037 120.500 -0.327 0.000 2.103 344 R HA -0.189 4.154 4.340 0.006 0.000 0.242 344 R C 2.574 178.551 176.300 -0.539 0.000 1.142 344 R CA 1.583 57.413 56.100 -0.450 0.000 0.960 344 R CB -0.589 29.396 30.300 -0.524 0.000 0.858 344 R HN 0.364 nan 8.270 nan 0.000 0.439 345 C N -0.316 118.636 119.300 -0.580 0.000 2.413 345 C HA -0.094 4.370 4.460 0.006 0.000 0.276 345 C C 2.693 177.679 174.990 -0.007 0.000 1.236 345 C CA 0.604 59.436 59.018 -0.310 0.000 1.735 345 C CB -0.667 26.959 27.740 -0.191 0.000 2.031 345 C HN 0.318 nan 8.230 nan 0.000 0.474 346 V N 0.605 120.498 119.914 -0.035 0.000 2.358 346 V HA -0.174 3.949 4.120 0.006 0.000 0.246 346 V C 2.580 178.689 176.094 0.025 0.000 1.047 346 V CA 2.105 64.439 62.300 0.057 0.000 1.035 346 V CB -0.738 31.122 31.823 0.062 0.000 0.658 346 V HN 0.505 nan 8.190 nan 0.000 0.452 347 R N 0.272 120.713 120.500 -0.098 0.000 2.092 347 R HA -0.203 4.141 4.340 0.006 0.000 0.231 347 R C 2.283 178.403 176.300 -0.300 0.000 1.119 347 R CA 1.820 57.791 56.100 -0.215 0.000 0.970 347 R CB -0.147 29.944 30.300 -0.349 0.000 0.864 347 R HN 0.528 nan 8.270 nan 0.000 0.440 348 E N -0.051 119.951 120.200 -0.330 0.000 2.152 348 E HA -0.057 4.297 4.350 0.006 0.000 0.192 348 E C 1.632 178.164 176.600 -0.113 0.000 0.983 348 E CA 1.610 57.774 56.400 -0.394 0.000 0.818 348 E CB -0.004 29.233 29.700 -0.772 0.000 0.758 348 E HN 0.223 nan 8.360 nan 0.000 0.467 349 S N -0.023 115.785 115.700 0.179 0.000 2.382 349 S HA -0.097 4.377 4.470 0.006 0.000 0.228 349 S C 1.871 176.495 174.600 0.040 0.000 1.027 349 S CA 1.268 59.628 58.200 0.266 0.000 0.991 349 S CB -0.260 63.165 63.200 0.375 0.000 0.823 349 S HN 0.331 nan 8.310 nan 0.000 0.469 350 I N 0.685 121.286 120.570 0.051 0.000 2.406 350 I HA -0.075 4.099 4.170 0.006 0.000 0.249 350 I C 2.774 178.934 176.117 0.072 0.000 1.122 350 I CA 0.630 61.961 61.300 0.052 0.000 1.431 350 I CB -0.291 37.748 38.000 0.065 0.000 1.087 350 I HN 0.143 nan 8.210 nan 0.000 0.424 351 R N 1.483 121.990 120.500 0.012 0.000 2.096 351 R HA -0.186 4.157 4.340 0.006 0.000 0.240 351 R C 2.331 178.494 176.300 -0.229 0.000 1.139 351 R CA 1.760 57.704 56.100 -0.260 0.000 0.952 351 R CB -0.494 29.537 30.300 -0.449 0.000 0.854 351 R HN 0.303 nan 8.270 nan 0.000 0.436 352 R N -0.154 120.232 120.500 -0.189 0.000 2.093 352 R HA -0.027 4.316 4.340 0.006 0.000 0.224 352 R C -0.272 175.987 176.300 -0.068 0.000 1.101 352 R CA 1.182 57.183 56.100 -0.166 0.000 0.979 352 R CB 0.316 30.537 30.300 -0.133 0.000 0.877 352 R HN 0.162 nan 8.270 nan 0.000 0.441 353 D N 1.299 121.592 120.400 -0.178 0.000 2.405 353 D HA 0.200 4.844 4.640 0.006 0.000 0.264 353 D C -2.636 173.642 176.300 -0.036 0.000 1.240 353 D CA -1.295 52.596 54.000 -0.182 0.000 0.893 353 D CB 1.917 42.303 40.800 -0.690 0.000 1.198 353 D HN 0.156 nan 8.370 nan 0.000 0.514 354 P HA 0.137 nan 4.420 nan 0.000 0.276 354 P C -1.864 175.470 177.300 0.057 0.000 1.230 354 P CA -1.030 62.095 63.100 0.042 0.000 0.776 354 P CB 1.342 33.044 31.700 0.003 0.000 0.888 355 P HA 0.005 nan 4.420 nan 0.000 0.220 355 P C 0.401 177.719 177.300 0.030 0.000 1.152 355 P CA 1.083 64.220 63.100 0.061 0.000 0.812 355 P CB 0.503 32.231 31.700 0.047 0.000 0.792 356 L N 0.793 122.024 121.223 0.013 0.000 2.259 356 L HA 0.246 4.590 4.340 0.006 0.000 0.288 356 L C 1.859 178.733 176.870 0.005 0.000 1.051 356 L CA -0.594 54.260 54.840 0.023 0.000 0.824 356 L CB 1.138 43.222 42.059 0.041 0.000 1.206 356 L HN -0.177 nan 8.230 nan 0.000 0.429 357 L N 3.045 124.285 121.223 0.028 0.000 2.156 357 L HA 0.058 4.401 4.340 0.006 0.000 0.208 357 L C 0.634 177.504 176.870 0.000 0.000 1.095 357 L CA 1.143 55.991 54.840 0.013 0.000 0.770 357 L CB -0.097 41.989 42.059 0.045 0.000 0.914 357 L HN 0.595 nan 8.230 nan 0.000 0.439 358 M N -0.038 119.578 119.600 0.028 0.000 2.267 358 M HA 0.348 4.832 4.480 0.006 0.000 0.289 358 M C -1.340 174.961 176.300 0.001 0.000 1.043 358 M CA -0.279 55.029 55.300 0.014 0.000 0.928 358 M CB 3.012 35.673 32.600 0.101 0.000 1.613 358 M HN -0.310 nan 8.290 nan 0.000 0.450 359 V N 4.633 124.534 119.914 -0.022 0.000 2.427 359 V HA 0.595 4.719 4.120 0.006 0.000 0.286 359 V C -0.159 176.022 176.094 0.144 0.000 1.034 359 V CA -0.302 62.062 62.300 0.106 0.000 0.893 359 V CB 1.847 33.839 31.823 0.282 0.000 0.982 359 V HN 0.881 nan 8.190 nan 0.000 0.452 360 M N 5.356 125.069 119.600 0.188 0.000 2.518 360 M HA 0.702 5.185 4.480 0.006 0.000 0.300 360 M C -0.786 175.579 176.300 0.109 0.000 1.175 360 M CA -0.687 54.698 55.300 0.142 0.000 0.890 360 M CB 2.823 35.392 32.600 -0.052 0.000 1.710 360 M HN 0.480 nan 8.290 nan 0.000 0.453 361 R N 1.381 121.940 120.500 0.098 0.000 2.799 361 R HA 0.637 4.980 4.340 0.006 0.000 0.270 361 R C -1.479 174.826 176.300 0.008 0.000 1.010 361 R CA -1.017 55.081 56.100 -0.004 0.000 0.916 361 R CB 1.915 32.146 30.300 -0.115 0.000 1.228 361 R HN 0.692 nan 8.270 nan 0.000 0.469 362 M N 1.253 120.855 119.600 0.002 0.000 2.157 362 M HA 0.249 4.732 4.480 0.006 0.000 0.354 362 M C -0.965 175.344 176.300 0.014 0.000 1.170 362 M CA -0.537 54.771 55.300 0.014 0.000 1.060 362 M CB 1.259 33.874 32.600 0.024 0.000 1.615 362 M HN 0.286 nan 8.290 nan 0.000 0.460 363 V N 7.515 127.439 119.914 0.018 0.000 2.364 363 V HA 0.095 4.218 4.120 0.006 0.000 0.252 363 V C 1.145 177.251 176.094 0.021 0.000 1.075 363 V CA 0.140 62.450 62.300 0.015 0.000 1.033 363 V CB -0.650 31.185 31.823 0.020 0.000 1.116 363 V HN 0.922 nan 8.190 nan 0.000 0.488 364 K N 2.970 123.383 120.400 0.021 0.000 2.186 364 K HA 0.271 4.595 4.320 0.006 0.000 0.202 364 K C 0.754 177.368 176.600 0.024 0.000 1.052 364 K CA 0.920 57.224 56.287 0.029 0.000 0.965 364 K CB 0.373 32.898 32.500 0.042 0.000 0.746 364 K HN 0.731 nan 8.250 nan 0.000 0.457 365 A N 1.994 124.825 122.820 0.018 0.000 2.393 365 A HA 0.238 4.562 4.320 0.006 0.000 0.306 365 A C -1.046 176.548 177.584 0.017 0.000 1.050 365 A CA -0.892 51.155 52.037 0.017 0.000 0.724 365 A CB 0.789 19.798 19.000 0.015 0.000 1.248 365 A HN 0.280 nan 8.150 nan 0.000 0.424 366 E N 0.734 120.946 120.200 0.021 0.000 2.508 366 E HA 0.231 4.585 4.350 0.006 0.000 0.266 366 E C -0.508 176.109 176.600 0.027 0.000 1.010 366 E CA -0.117 56.298 56.400 0.026 0.000 0.955 366 E CB 0.645 30.362 29.700 0.028 0.000 0.946 366 E HN 0.581 nan 8.360 nan 0.000 0.454 367 V N 2.231 122.165 119.914 0.035 0.000 2.733 367 V HA 0.229 4.353 4.120 0.006 0.000 0.306 367 V C -0.903 175.224 176.094 0.055 0.000 1.084 367 V CA -1.000 61.322 62.300 0.038 0.000 0.905 367 V CB 2.019 33.860 31.823 0.030 0.000 1.010 367 V HN 0.765 nan 8.190 nan 0.000 0.424 368 K N 4.413 124.845 120.400 0.053 0.000 2.338 368 K HA 0.500 4.824 4.320 0.006 0.000 0.290 368 K C -1.015 175.631 176.600 0.078 0.000 1.069 368 K CA -0.124 56.202 56.287 0.064 0.000 0.941 368 K CB 0.793 33.320 32.500 0.046 0.000 1.023 368 K HN 0.552 nan 8.250 nan 0.000 0.477 369 V N 4.980 124.958 119.914 0.107 0.000 2.326 369 V HA 0.374 4.497 4.120 0.006 0.000 0.281 369 V C 0.878 177.055 176.094 0.137 0.000 1.015 369 V CA -0.006 62.367 62.300 0.121 0.000 0.823 369 V CB 0.344 32.242 31.823 0.125 0.000 1.009 369 V HN 1.163 nan 8.190 nan 0.000 0.436 370 G N 5.564 114.418 108.800 0.090 0.000 2.583 370 G HA2 -0.280 3.683 3.960 0.006 0.000 0.292 370 G HA3 -0.280 3.683 3.960 0.006 0.000 0.292 370 G C 0.480 175.363 174.900 -0.029 0.000 1.203 370 G CA 0.248 45.372 45.100 0.040 0.000 0.987 370 G HN 1.154 nan 8.290 nan 0.000 0.554 371 S N -0.166 115.437 115.700 -0.162 0.000 2.625 371 S HA 0.572 5.045 4.470 0.006 0.000 0.258 371 S C 0.113 174.582 174.600 -0.219 0.000 1.256 371 S CA 0.649 58.670 58.200 -0.299 0.000 0.983 371 S CB 0.357 63.231 63.200 -0.542 0.000 1.032 371 S HN 1.975 nan 8.310 nan 0.000 0.572 372 Y N -3.245 117.070 120.300 0.025 0.000 2.513 372 Y HA -0.112 4.442 4.550 0.006 0.000 0.021 372 Y C -0.478 175.437 175.900 0.025 0.000 1.708 372 Y CA -0.527 57.589 58.100 0.027 0.000 1.415 372 Y CB -1.505 36.974 38.460 0.031 0.000 2.060 372 Y HN 0.559 nan 8.280 nan 0.000 0.255 373 V N 2.495 122.533 119.914 0.207 0.000 2.604 373 V HA 0.634 4.757 4.120 0.006 0.000 0.305 373 V C -0.515 175.633 176.094 0.090 0.000 1.043 373 V CA -1.157 61.214 62.300 0.119 0.000 0.888 373 V CB 2.067 33.938 31.823 0.081 0.000 0.995 373 V HN 0.609 nan 8.190 nan 0.000 0.429 374 V N 6.658 126.611 119.914 0.066 0.000 2.385 374 V HA 0.305 4.429 4.120 0.006 0.000 0.269 374 V C -2.237 173.877 176.094 0.033 0.000 1.043 374 V CA -1.789 60.533 62.300 0.037 0.000 0.906 374 V CB 1.166 33.008 31.823 0.030 0.000 0.995 374 V HN 0.729 nan 8.190 nan 0.000 0.467 375 P HA 0.251 nan 4.420 nan 0.000 0.272 375 P C 0.123 177.437 177.300 0.024 0.000 1.223 375 P CA -0.130 62.986 63.100 0.026 0.000 0.784 375 P CB 0.365 32.078 31.700 0.023 0.000 0.923 376 K N 1.453 121.867 120.400 0.023 0.000 2.550 376 K HA 0.319 4.643 4.320 0.006 0.000 0.280 376 K C 1.391 178.006 176.600 0.024 0.000 0.987 376 K CA 0.492 56.793 56.287 0.023 0.000 1.048 376 K CB -1.613 30.901 32.500 0.022 0.000 0.879 376 K HN 0.955 nan 8.250 nan 0.000 0.491 377 G N 1.230 110.045 108.800 0.025 0.000 2.213 377 G HA2 -0.193 3.771 3.960 0.006 0.000 0.236 377 G HA3 -0.193 3.771 3.960 0.006 0.000 0.236 377 G C 0.075 174.993 174.900 0.030 0.000 0.991 377 G CA 0.246 45.362 45.100 0.028 0.000 0.629 377 G HN 0.871 nan 8.290 nan 0.000 0.517 378 D N 0.501 120.916 120.400 0.027 0.000 2.372 378 D HA 0.482 5.125 4.640 0.006 0.000 0.243 378 D C 1.097 177.416 176.300 0.032 0.000 1.121 378 D CA -0.040 53.975 54.000 0.026 0.000 0.898 378 D CB 0.676 41.485 40.800 0.016 0.000 1.202 378 D HN 0.324 nan 8.370 nan 0.000 0.428 379 I N 2.456 123.051 120.570 0.043 0.000 2.371 379 I HA 0.188 4.362 4.170 0.006 0.000 0.290 379 I C 0.275 176.415 176.117 0.039 0.000 1.028 379 I CA -0.349 60.980 61.300 0.048 0.000 1.345 379 I CB 0.705 38.758 38.000 0.089 0.000 1.407 379 I HN 0.177 nan 8.210 nan 0.000 0.501 380 I N 6.323 126.929 120.570 0.061 0.000 2.354 380 I HA 0.573 4.746 4.170 0.006 0.000 0.292 380 I C -0.094 176.101 176.117 0.131 0.000 0.989 380 I CA -0.220 61.127 61.300 0.079 0.000 1.188 380 I CB 1.176 39.255 38.000 0.132 0.000 1.342 380 I HN 0.678 nan 8.210 nan 0.000 0.457 381 A N 6.504 129.273 122.820 -0.083 0.000 2.356 381 A HA 0.671 4.994 4.320 0.006 0.000 0.323 381 A C -1.414 175.712 177.584 -0.762 0.000 1.119 381 A CA -0.458 51.412 52.037 -0.278 0.000 0.790 381 A CB 1.558 20.446 19.000 -0.187 0.000 1.273 381 A HN 0.763 nan 8.150 nan 0.000 0.452 382 C N 1.198 119.802 119.300 -1.159 0.000 2.397 382 C HA 0.722 5.186 4.460 0.006 0.000 0.325 382 C C 0.262 174.932 174.990 -0.532 0.000 1.201 382 C CA -0.331 58.048 59.018 -1.064 0.000 1.377 382 C CB 0.334 26.958 27.740 -1.859 0.000 2.038 382 C HN 0.909 nan 8.230 nan 0.000 0.457 383 S N 6.658 122.170 115.700 -0.314 0.000 2.474 383 S HA 0.430 4.904 4.470 0.006 0.000 0.320 383 S C -1.507 172.955 174.600 -0.229 0.000 1.067 383 S CA -1.171 56.916 58.200 -0.189 0.000 1.127 383 S CB 1.016 64.166 63.200 -0.083 0.000 0.971 383 S HN 0.683 nan 8.310 nan 0.000 0.472 384 P HA -0.163 nan 4.420 nan 0.000 0.216 384 P C 1.601 178.527 177.300 -0.623 0.000 1.157 384 P CA 0.632 63.300 63.100 -0.719 0.000 0.880 384 P CB 0.062 31.425 31.700 -0.561 0.000 0.791 385 L N -1.001 120.067 121.223 -0.259 0.000 2.013 385 L HA -0.173 4.170 4.340 0.006 0.000 0.212 385 L C 2.184 179.055 176.870 0.000 0.000 1.073 385 L CA 1.924 56.705 54.840 -0.098 0.000 0.753 385 L CB -1.558 40.451 42.059 -0.083 0.000 0.890 385 L HN -0.111 nan 8.230 nan 0.000 0.432 386 L N -1.215 119.990 121.223 -0.029 0.000 2.044 386 L HA -0.096 4.248 4.340 0.006 0.000 0.205 386 L C 2.474 179.415 176.870 0.119 0.000 1.075 386 L CA 2.006 56.874 54.840 0.045 0.000 0.747 386 L CB -0.951 41.138 42.059 0.050 0.000 0.903 386 L HN 0.294 nan 8.230 nan 0.000 0.435 387 S N -1.191 114.561 115.700 0.086 0.000 2.399 387 S HA -0.177 4.297 4.470 0.006 0.000 0.231 387 S C 1.596 176.385 174.600 0.315 0.000 1.022 387 S CA 1.185 59.520 58.200 0.224 0.000 0.983 387 S CB -0.699 62.715 63.200 0.356 0.000 0.803 387 S HN 0.669 nan 8.310 nan 0.000 0.480 388 H N -1.031 118.046 119.070 0.012 0.000 2.556 388 H HA 0.082 4.641 4.556 0.006 0.000 0.268 388 H C 0.666 175.721 175.328 -0.455 0.000 0.996 388 H CA 0.481 56.281 56.048 -0.414 0.000 1.157 388 H CB 0.150 29.623 29.762 -0.481 0.000 1.355 388 H HN 0.433 nan 8.280 nan 0.000 0.597 389 H N -1.004 118.135 119.070 0.115 0.000 2.916 389 H HA 0.074 4.634 4.556 0.006 0.000 0.262 389 H C -0.349 175.058 175.328 0.132 0.000 1.178 389 H CA -0.424 55.683 56.048 0.098 0.000 1.090 389 H CB 0.430 30.209 29.762 0.029 0.000 1.657 389 H HN 0.159 nan 8.280 nan 0.000 0.601 390 D N 1.824 122.377 120.400 0.254 0.000 2.417 390 D HA -0.066 4.578 4.640 0.006 0.000 0.250 390 D C 1.510 177.903 176.300 0.154 0.000 1.166 390 D CA 0.013 54.121 54.000 0.180 0.000 0.881 390 D CB 0.986 41.882 40.800 0.159 0.000 1.164 390 D HN 0.389 nan 8.370 nan 0.000 0.467 391 E N 3.657 123.918 120.200 0.102 0.000 2.265 391 E HA -0.252 4.102 4.350 0.006 0.000 0.196 391 E C 1.203 177.824 176.600 0.035 0.000 0.996 391 E CA 1.040 57.483 56.400 0.071 0.000 0.832 391 E CB -0.148 29.584 29.700 0.054 0.000 0.756 391 E HN 0.793 nan 8.360 nan 0.000 0.491 392 E N 0.806 121.023 120.200 0.027 0.000 2.028 392 E HA -0.043 4.310 4.350 0.006 0.000 0.190 392 E C 2.058 178.597 176.600 -0.102 0.000 0.984 392 E CA 1.024 57.419 56.400 -0.010 0.000 0.800 392 E CB -0.078 29.644 29.700 0.037 0.000 0.758 392 E HN 0.316 nan 8.360 nan 0.000 0.448 393 A N 0.067 122.792 122.820 -0.159 0.000 1.929 393 A HA -0.038 4.285 4.320 0.006 0.000 0.216 393 A C 0.614 177.734 177.584 -0.773 0.000 1.176 393 A CA 0.831 52.586 52.037 -0.470 0.000 0.628 393 A CB -0.048 18.696 19.000 -0.428 0.000 0.816 393 A HN 0.282 nan 8.150 nan 0.000 0.444 394 F N 0.294 120.215 119.950 -0.049 0.000 2.646 394 F HA 0.301 4.831 4.527 0.006 0.000 0.336 394 F C -2.569 173.191 175.800 -0.066 0.000 1.437 394 F CA -2.863 55.089 58.000 -0.080 0.000 1.142 394 F CB 0.903 39.832 39.000 -0.119 0.000 1.530 394 F HN -0.047 nan 8.300 nan 0.000 0.591 395 P HA -0.137 nan 4.420 nan 0.000 0.263 395 P C 0.360 177.684 177.300 0.039 0.000 1.175 395 P CA 0.621 63.737 63.100 0.027 0.000 0.761 395 P CB 0.552 32.250 31.700 -0.003 0.000 0.794 396 N N 2.975 121.702 118.700 0.044 0.000 2.671 396 N HA -0.145 4.599 4.740 0.006 0.000 0.261 396 N C -1.336 174.198 175.510 0.040 0.000 1.053 396 N CA 0.444 53.521 53.050 0.046 0.000 0.732 396 N CB -0.921 37.589 38.487 0.038 0.000 0.887 396 N HN 0.329 nan 8.380 nan 0.000 0.546 397 P HA -0.076 nan 4.420 nan 0.000 0.230 397 P C 0.861 178.144 177.300 -0.028 0.000 1.158 397 P CA 0.636 63.708 63.100 -0.047 0.000 0.769 397 P CB 0.288 31.920 31.700 -0.113 0.000 0.807 398 R N -0.517 120.035 120.500 0.087 0.000 2.310 398 R HA 0.165 4.508 4.340 0.006 0.000 0.202 398 R C 0.843 177.184 176.300 0.068 0.000 0.933 398 R CA -0.490 55.676 56.100 0.109 0.000 1.054 398 R CB -1.072 29.300 30.300 0.120 0.000 0.985 398 R HN 0.270 nan 8.270 nan 0.000 0.489 399 L N 0.627 121.878 121.223 0.046 0.000 2.360 399 L HA 0.177 4.520 4.340 0.006 0.000 0.276 399 L C -0.557 176.330 176.870 0.028 0.000 1.121 399 L CA -0.376 54.500 54.840 0.059 0.000 0.845 399 L CB 0.470 42.560 42.059 0.053 0.000 1.143 399 L HN 0.066 nan 8.230 nan 0.000 0.452 400 W N 6.758 127.962 121.300 -0.160 0.000 2.433 400 W HA 0.290 4.954 4.660 0.006 0.000 0.331 400 W C -0.544 175.821 176.519 -0.256 0.000 1.110 400 W CA -0.348 56.800 57.345 -0.329 0.000 1.450 400 W CB 0.346 29.438 29.460 -0.612 0.000 1.348 400 W HN 0.586 nan 8.180 nan 0.000 0.415 401 D N 8.559 128.583 120.400 -0.628 0.000 2.420 401 D HA 0.238 4.881 4.640 0.006 0.000 0.255 401 D C -1.477 174.188 176.300 -1.057 0.000 1.185 401 D CA -2.355 51.219 54.000 -0.711 0.000 0.904 401 D CB 1.814 42.445 40.800 -0.281 0.000 1.102 401 D HN 0.160 nan 8.370 nan 0.000 0.534 402 P HA -0.082 nan 4.420 nan 0.000 0.225 402 P C 0.470 177.270 177.300 -0.833 0.000 1.148 402 P CA 0.718 63.026 63.100 -1.321 0.000 0.779 402 P CB 0.478 31.224 31.700 -1.591 0.000 0.780 403 E N -0.486 119.281 120.200 -0.722 0.000 2.489 403 E HA 0.004 4.357 4.350 0.006 0.000 0.193 403 E C 1.269 177.725 176.600 -0.240 0.000 1.057 403 E CA -0.275 55.926 56.400 -0.333 0.000 0.866 403 E CB 0.021 29.652 29.700 -0.114 0.000 0.916 403 E HN 0.244 nan 8.360 nan 0.000 0.500 404 R N 1.481 121.803 120.500 -0.297 0.000 2.637 404 R HA 0.110 4.453 4.340 0.006 0.000 0.269 404 R C -0.665 175.532 176.300 -0.171 0.000 1.089 404 R CA 0.270 56.254 56.100 -0.193 0.000 1.177 404 R CB 0.731 30.926 30.300 -0.175 0.000 1.091 404 R HN -0.170 nan 8.270 nan 0.000 0.540 405 D N 0.627 120.947 120.400 -0.134 0.000 2.732 405 D HA 0.102 4.745 4.640 0.006 0.000 0.229 405 D C -0.841 175.340 176.300 -0.198 0.000 1.152 405 D CA -0.485 53.434 54.000 -0.136 0.000 0.854 405 D CB 1.923 42.649 40.800 -0.123 0.000 1.590 405 D HN 0.583 nan 8.370 nan 0.000 0.468 406 E N 0.955 121.013 120.200 -0.236 0.000 2.529 406 E HA -0.016 4.338 4.350 0.006 0.000 0.259 406 E C 0.206 176.575 176.600 -0.385 0.000 0.966 406 E CA 0.018 56.089 56.400 -0.547 0.000 0.937 406 E CB 0.801 30.291 29.700 -0.349 0.000 0.923 406 E HN 0.101 nan 8.360 nan 0.000 0.468 407 K N 2.096 122.228 120.400 -0.446 0.000 2.393 407 K HA 0.140 4.464 4.320 0.006 0.000 0.193 407 K C -0.044 176.411 176.600 -0.241 0.000 1.026 407 K CA 0.034 56.162 56.287 -0.265 0.000 1.064 407 K CB 0.489 32.866 32.500 -0.206 0.000 0.833 407 K HN 0.336 nan 8.250 nan 0.000 0.521 408 V N 2.562 122.277 119.914 -0.331 0.000 2.448 408 V HA 0.151 4.274 4.120 0.006 0.000 0.295 408 V C -0.562 175.396 176.094 -0.227 0.000 1.025 408 V CA -1.185 60.925 62.300 -0.316 0.000 0.859 408 V CB 1.991 33.485 31.823 -0.547 0.000 0.988 408 V HN 0.032 nan 8.190 nan 0.000 0.431 409 D N 3.615 123.933 120.400 -0.137 0.000 2.434 409 D HA 0.414 5.057 4.640 0.006 0.000 0.252 409 D C 1.159 177.456 176.300 -0.006 0.000 1.185 409 D CA 1.827 55.796 54.000 -0.051 0.000 0.886 409 D CB 1.154 41.945 40.800 -0.014 0.000 1.148 409 D HN 1.003 nan 8.370 nan 0.000 0.483 410 G N 1.974 110.815 108.800 0.068 0.000 2.195 410 G HA2 -0.326 3.637 3.960 0.006 0.000 0.246 410 G HA3 -0.326 3.637 3.960 0.006 0.000 0.246 410 G C 1.234 176.310 174.900 0.293 0.000 0.984 410 G CA 0.683 45.885 45.100 0.170 0.000 0.633 410 G HN 0.682 nan 8.290 nan 0.000 0.525 411 A N -0.012 122.920 122.820 0.187 0.000 1.883 411 A HA 0.330 4.653 4.320 0.006 0.000 0.217 411 A C 1.190 179.176 177.584 0.671 0.000 1.186 411 A CA 1.531 53.746 52.037 0.297 0.000 0.624 411 A CB -0.358 18.678 19.000 0.060 0.000 0.822 411 A HN 1.437 nan 8.150 nan 0.000 0.444 412 F N 1.181 121.437 119.950 0.510 0.000 2.571 412 F HA 0.328 4.859 4.527 0.006 0.000 0.384 412 F C 0.507 176.512 175.800 0.342 0.000 1.058 412 F CA 0.074 58.278 58.000 0.339 0.000 1.200 412 F CB 0.350 39.436 39.000 0.142 0.000 1.077 412 F HN 0.296 nan 8.300 nan 0.000 0.558 413 I N 3.588 124.022 120.570 -0.227 0.000 3.114 413 I HA 0.374 4.548 4.170 0.006 0.000 0.326 413 I C 1.133 177.001 176.117 -0.415 0.000 1.510 413 I CA -0.189 60.941 61.300 -0.284 0.000 0.918 413 I CB 0.215 38.132 38.000 -0.138 0.000 1.561 413 I HN 0.618 nan 8.210 nan 0.000 0.565 414 G N 1.480 109.706 108.800 -0.956 0.000 2.408 414 G HA2 -0.102 3.861 3.960 0.006 0.000 0.217 414 G HA3 -0.102 3.861 3.960 0.006 0.000 0.217 414 G C 0.679 175.326 174.900 -0.421 0.000 1.150 414 G CA 0.861 45.582 45.100 -0.630 0.000 0.776 414 G HN 0.447 nan 8.290 nan 0.000 0.542 415 F N 1.397 121.262 119.950 -0.143 0.000 2.850 415 F HA 0.474 5.004 4.527 0.006 0.000 0.306 415 F C 1.493 177.268 175.800 -0.043 0.000 1.162 415 F CA -0.186 57.816 58.000 0.003 0.000 1.327 415 F CB 0.348 39.400 39.000 0.088 0.000 0.953 415 F HN 0.372 nan 8.300 nan 0.000 0.507 416 G N 1.175 109.980 108.800 0.007 0.000 2.645 416 G HA2 0.185 4.149 3.960 0.006 0.000 0.246 416 G HA3 0.185 4.149 3.960 0.006 0.000 0.246 416 G C -0.488 174.169 174.900 -0.405 0.000 1.322 416 G CA -0.370 44.650 45.100 -0.134 0.000 0.898 416 G HN 1.116 nan 8.290 nan 0.000 0.573 417 A N -2.406 120.050 122.820 -0.605 0.000 2.544 417 A HA 1.081 5.405 4.320 0.006 0.000 0.291 417 A C 1.119 178.564 177.584 -0.232 0.000 1.055 417 A CA 1.298 53.028 52.037 -0.512 0.000 0.651 417 A CB 0.541 19.076 19.000 -0.775 0.000 1.296 417 A HN 3.352 nan 8.150 nan 0.000 0.431 418 G N -1.363 107.394 108.800 -0.071 0.000 2.553 418 G HA2 0.090 4.053 3.960 0.006 0.000 0.242 418 G HA3 0.090 4.053 3.960 0.006 0.000 0.242 418 G C 1.105 175.992 174.900 -0.021 0.000 1.277 418 G CA 1.194 46.309 45.100 0.026 0.000 0.910 418 G HN 2.250 nan 8.290 nan 0.000 0.576 419 V N -2.586 117.287 119.914 -0.068 0.000 2.759 419 V HA 0.007 4.130 4.120 0.006 0.000 0.256 419 V C 1.872 177.746 176.094 -0.367 0.000 1.080 419 V CA 2.581 64.736 62.300 -0.242 0.000 1.101 419 V CB -0.620 30.998 31.823 -0.342 0.000 0.698 419 V HN 0.731 nan 8.190 nan 0.000 0.477 420 H N 0.054 119.166 119.070 0.069 0.000 2.549 420 H HA 0.360 4.920 4.556 0.006 0.000 0.279 420 H C 0.930 176.321 175.328 0.104 0.000 1.018 420 H CA -0.369 55.739 56.048 0.098 0.000 1.175 420 H CB 0.275 30.120 29.762 0.138 0.000 1.485 420 H HN 0.491 nan 8.280 nan 0.000 0.543 421 K N 1.311 121.780 120.400 0.116 0.000 2.550 421 K HA -0.086 4.238 4.320 0.006 0.000 0.280 421 K C 0.124 176.800 176.600 0.127 0.000 0.987 421 K CA -0.035 56.303 56.287 0.085 0.000 1.048 421 K CB 0.503 33.012 32.500 0.014 0.000 0.879 421 K HN 0.212 nan 8.250 nan 0.000 0.491 422 C N 6.888 126.293 119.300 0.175 0.000 2.298 422 C HA -0.057 4.407 4.460 0.006 0.000 0.395 422 C C 1.883 176.941 174.990 0.114 0.000 1.526 422 C CA -0.136 58.999 59.018 0.195 0.000 1.458 422 C CB -1.577 26.354 27.740 0.318 0.000 2.506 422 C HN 0.807 nan 8.230 nan 0.000 0.604 423 I N 3.808 124.447 120.570 0.115 0.000 3.793 423 I HA 0.270 4.443 4.170 0.006 0.000 0.315 423 I C 1.580 177.768 176.117 0.119 0.000 1.275 423 I CA 1.005 62.358 61.300 0.088 0.000 1.214 423 I CB -0.677 37.363 38.000 0.067 0.000 1.018 423 I HN 0.697 nan 8.210 nan 0.000 0.439 424 G N 1.153 110.044 108.800 0.153 0.000 3.141 424 G HA2 -0.050 3.913 3.960 0.006 0.000 0.218 424 G HA3 -0.050 3.913 3.960 0.006 0.000 0.218 424 G C 1.331 176.346 174.900 0.191 0.000 1.170 424 G CA 0.077 45.303 45.100 0.209 0.000 0.769 424 G HN 0.511 nan 8.290 nan 0.000 0.546 425 Q N 0.641 120.445 119.800 0.007 0.000 2.045 425 Q HA -0.209 4.134 4.340 0.006 0.000 0.206 425 Q C 2.275 178.184 176.000 -0.151 0.000 0.991 425 Q CA 1.981 57.563 55.803 -0.369 0.000 0.851 425 Q CB -0.159 28.161 28.738 -0.696 0.000 0.911 425 Q HN 0.468 nan 8.270 nan 0.000 0.418 426 K N -0.784 119.638 120.400 0.037 0.000 2.148 426 K HA -0.141 4.183 4.320 0.006 0.000 0.204 426 K C 1.846 178.683 176.600 0.395 0.000 1.050 426 K CA 1.099 57.474 56.287 0.148 0.000 0.942 426 K CB -0.242 32.322 32.500 0.106 0.000 0.724 426 K HN 0.269 nan 8.250 nan 0.000 0.446 427 F N 0.976 121.133 119.950 0.346 0.000 2.146 427 F HA -0.037 4.493 4.527 0.006 0.000 0.298 427 F C 1.903 177.780 175.800 0.127 0.000 1.096 427 F CA 1.242 59.391 58.000 0.249 0.000 1.275 427 F CB -0.377 38.682 39.000 0.099 0.000 1.008 427 F HN 0.062 nan 8.300 nan 0.000 0.480 428 A N 0.810 123.719 122.820 0.148 0.000 1.877 428 A HA -0.142 4.182 4.320 0.006 0.000 0.216 428 A C 2.272 179.871 177.584 0.025 0.000 1.186 428 A CA 1.911 54.003 52.037 0.091 0.000 0.620 428 A CB -1.233 17.944 19.000 0.295 0.000 0.822 428 A HN 0.470 nan 8.150 nan 0.000 0.443 429 L N -1.040 120.218 121.223 0.057 0.000 2.012 429 L HA -0.187 4.156 4.340 0.006 0.000 0.210 429 L C 2.631 179.490 176.870 -0.018 0.000 1.073 429 L CA 1.540 56.405 54.840 0.042 0.000 0.748 429 L CB -0.564 41.508 42.059 0.021 0.000 0.891 429 L HN 0.499 nan 8.230 nan 0.000 0.431 430 L N -0.614 120.594 121.223 -0.025 0.000 2.083 430 L HA -0.269 4.075 4.340 0.006 0.000 0.209 430 L C 2.717 179.494 176.870 -0.156 0.000 1.083 430 L CA 1.506 56.320 54.840 -0.044 0.000 0.752 430 L CB -0.248 41.879 42.059 0.114 0.000 0.899 430 L HN 0.321 nan 8.230 nan 0.000 0.433 431 Q N -0.948 118.658 119.800 -0.323 0.000 2.046 431 Q HA -0.179 4.165 4.340 0.006 0.000 0.200 431 Q C 2.128 178.029 176.000 -0.166 0.000 0.975 431 Q CA 2.287 57.879 55.803 -0.352 0.000 0.836 431 Q CB -0.004 28.408 28.738 -0.543 0.000 0.896 431 Q HN 0.493 nan 8.270 nan 0.000 0.428 432 V N 1.201 121.055 119.914 -0.100 0.000 2.295 432 V HA -0.268 3.855 4.120 0.006 0.000 0.246 432 V C 2.166 178.261 176.094 0.000 0.000 1.049 432 V CA 2.078 64.363 62.300 -0.025 0.000 1.024 432 V CB -0.537 31.306 31.823 0.033 0.000 0.648 432 V HN 0.312 nan 8.190 nan 0.000 0.447 433 K N 0.039 120.434 120.400 -0.009 0.000 2.032 433 K HA -0.173 4.151 4.320 0.006 0.000 0.209 433 K C 2.240 178.843 176.600 0.004 0.000 1.048 433 K CA 2.039 58.328 56.287 0.003 0.000 0.927 433 K CB -0.531 31.956 32.500 -0.022 0.000 0.712 433 K HN 0.467 nan 8.250 nan 0.000 0.441 434 T N 1.369 115.905 114.554 -0.030 0.000 2.788 434 T HA -0.073 4.281 4.350 0.006 0.000 0.268 434 T C 1.864 176.570 174.700 0.010 0.000 1.044 434 T CA 1.050 63.136 62.100 -0.025 0.000 1.139 434 T CB -0.151 68.688 68.868 -0.048 0.000 0.867 434 T HN 0.132 nan 8.240 nan 0.000 0.454 435 I N 0.620 121.189 120.570 -0.001 0.000 2.252 435 I HA -0.101 4.073 4.170 0.006 0.000 0.245 435 I C 2.217 178.398 176.117 0.107 0.000 1.102 435 I CA 1.074 62.384 61.300 0.017 0.000 1.385 435 I CB -0.362 37.616 38.000 -0.036 0.000 1.064 435 I HN 0.190 nan 8.210 nan 0.000 0.414 436 L N 0.536 121.850 121.223 0.151 0.000 2.046 436 L HA -0.207 4.137 4.340 0.006 0.000 0.208 436 L C 2.866 179.946 176.870 0.351 0.000 1.077 436 L CA 1.398 56.427 54.840 0.315 0.000 0.747 436 L CB -0.807 41.408 42.059 0.261 0.000 0.896 436 L HN 0.241 nan 8.230 nan 0.000 0.432 437 A N -0.548 122.398 122.820 0.210 0.000 1.978 437 A HA -0.186 4.137 4.320 0.006 0.000 0.220 437 A C 2.334 180.056 177.584 0.229 0.000 1.170 437 A CA 2.386 54.543 52.037 0.201 0.000 0.636 437 A CB -0.723 18.331 19.000 0.090 0.000 0.810 437 A HN 0.424 nan 8.150 nan 0.000 0.448 438 T N -0.449 114.219 114.554 0.191 0.000 2.901 438 T HA 0.220 4.574 4.350 0.006 0.000 0.252 438 T C 2.313 177.167 174.700 0.256 0.000 1.035 438 T CA 1.014 63.223 62.100 0.183 0.000 1.142 438 T CB -0.378 68.556 68.868 0.111 0.000 0.869 438 T HN 0.541 nan 8.240 nan 0.000 0.442 439 A N 1.066 124.050 122.820 0.272 0.000 1.883 439 A HA -0.017 4.307 4.320 0.006 0.000 0.217 439 A C 1.887 179.728 177.584 0.428 0.000 1.186 439 A CA 1.454 53.715 52.037 0.373 0.000 0.624 439 A CB -0.994 18.177 19.000 0.284 0.000 0.822 439 A HN 0.467 nan 8.150 nan 0.000 0.444 440 F N -0.648 119.568 119.950 0.445 0.000 2.456 440 F HA 0.084 4.615 4.527 0.006 0.000 0.298 440 F C 2.423 178.489 175.800 0.443 0.000 1.104 440 F CA 0.802 59.085 58.000 0.471 0.000 1.435 440 F CB -0.075 39.110 39.000 0.308 0.000 1.078 440 F HN 0.088 nan 8.300 nan 0.000 0.546 441 R N -0.030 120.765 120.500 0.492 0.000 2.148 441 R HA -0.091 4.253 4.340 0.006 0.000 0.227 441 R C 1.636 178.063 176.300 0.212 0.000 1.103 441 R CA 1.098 57.402 56.100 0.341 0.000 0.983 441 R CB -0.059 30.401 30.300 0.268 0.000 0.874 441 R HN 0.224 nan 8.270 nan 0.000 0.451 442 E N -1.418 118.908 120.200 0.210 0.000 2.372 442 E HA 0.086 4.440 4.350 0.006 0.000 0.201 442 E C -0.312 176.131 176.600 -0.263 0.000 0.938 442 E CA 0.559 56.963 56.400 0.008 0.000 0.944 442 E CB 0.580 30.346 29.700 0.109 0.000 0.937 442 E HN 0.162 nan 8.360 nan 0.000 0.495 443 Y N 0.143 120.442 120.300 -0.002 0.000 2.545 443 Y HA 0.323 4.877 4.550 0.006 0.000 0.348 443 Y C -0.025 175.642 175.900 -0.389 0.000 1.002 443 Y CA -1.133 56.792 58.100 -0.292 0.000 1.039 443 Y CB 1.636 39.727 38.460 -0.616 0.000 1.271 443 Y HN -0.272 nan 8.280 nan 0.000 0.467 444 D N 0.964 121.194 120.400 -0.284 0.000 2.272 444 D HA 0.520 5.163 4.640 0.006 0.000 0.247 444 D C -1.286 174.686 176.300 -0.547 0.000 0.990 444 D CA -0.116 53.770 54.000 -0.191 0.000 0.931 444 D CB 1.577 42.374 40.800 -0.006 0.000 1.195 444 D HN 0.238 nan 8.370 nan 0.000 0.477 445 F N 0.130 120.139 119.950 0.099 0.000 2.588 445 F HA 0.321 4.851 4.527 0.006 0.000 0.310 445 F C 0.199 176.017 175.800 0.030 0.000 1.082 445 F CA -0.880 57.126 58.000 0.009 0.000 0.929 445 F CB 1.998 40.962 39.000 -0.060 0.000 1.254 445 F HN -0.043 nan 8.300 nan 0.000 0.455 446 Q N 2.583 122.481 119.800 0.164 0.000 2.330 446 Q HA 0.484 4.828 4.340 0.006 0.000 0.269 446 Q C -1.492 174.540 176.000 0.053 0.000 1.022 446 Q CA -1.204 54.648 55.803 0.081 0.000 0.796 446 Q CB 2.286 31.035 28.738 0.018 0.000 1.271 446 Q HN 0.747 nan 8.270 nan 0.000 0.450 447 L N 4.860 126.105 121.223 0.036 0.000 2.410 447 L HA 0.138 4.482 4.340 0.006 0.000 0.273 447 L C -0.387 176.482 176.870 -0.003 0.000 1.144 447 L CA 0.699 55.548 54.840 0.016 0.000 0.863 447 L CB 0.485 42.569 42.059 0.040 0.000 1.140 447 L HN 0.789 nan 8.230 nan 0.000 0.463 448 L N 6.327 127.544 121.223 -0.009 0.000 2.888 448 L HA 0.299 4.643 4.340 0.006 0.000 0.237 448 L C 0.943 177.810 176.870 -0.005 0.000 1.288 448 L CA 0.149 54.981 54.840 -0.014 0.000 1.110 448 L CB -0.525 41.520 42.059 -0.024 0.000 1.441 448 L HN 0.737 nan 8.230 nan 0.000 0.474 449 R N -0.463 120.043 120.500 0.010 0.000 2.548 449 R HA 0.050 4.393 4.340 0.006 0.000 0.449 449 R C 0.016 176.350 176.300 0.058 0.000 0.928 449 R CA 0.042 56.158 56.100 0.027 0.000 1.107 449 R CB 0.232 30.547 30.300 0.025 0.000 1.557 449 R HN 0.136 nan 8.270 nan 0.000 0.584 450 D N -0.045 120.389 120.400 0.057 0.000 4.331 450 D HA -0.255 4.388 4.640 0.006 0.000 0.234 450 D C -0.282 176.172 176.300 0.255 0.000 1.221 450 D CA 2.085 56.150 54.000 0.108 0.000 2.279 450 D CB -0.332 40.515 40.800 0.078 0.000 1.210 450 D HN 0.375 nan 8.370 nan 0.000 0.417 451 E N 0.326 120.638 120.200 0.187 0.000 2.244 451 E HA 0.529 4.882 4.350 0.006 0.000 0.266 451 E C -0.095 176.571 176.600 0.109 0.000 0.914 451 E CA -0.836 55.656 56.400 0.155 0.000 0.794 451 E CB 2.119 31.866 29.700 0.078 0.000 1.210 451 E HN 0.017 nan 8.360 nan 0.000 0.414 452 V N 3.634 123.561 119.914 0.023 0.000 2.694 452 V HA -0.014 4.110 4.120 0.006 0.000 0.306 452 V C -1.932 174.211 176.094 0.082 0.000 1.054 452 V CA -0.682 61.639 62.300 0.035 0.000 1.161 452 V CB -0.170 31.644 31.823 -0.016 0.000 0.916 452 V HN 0.509 nan 8.190 nan 0.000 0.490 453 P HA 0.007 nan 4.420 nan 0.000 0.266 453 P C -0.355 177.040 177.300 0.159 0.000 1.186 453 P CA 0.037 63.148 63.100 0.017 0.000 0.767 453 P CB 0.282 31.879 31.700 -0.171 0.000 0.820 454 D N 3.151 123.607 120.400 0.093 0.000 2.400 454 D HA 0.072 4.716 4.640 0.006 0.000 0.238 454 D C -2.019 174.356 176.300 0.125 0.000 1.157 454 D CA -0.718 53.344 54.000 0.103 0.000 0.889 454 D CB -0.346 40.471 40.800 0.028 0.000 1.199 454 D HN 0.241 nan 8.370 nan 0.000 0.436 455 P HA 0.096 nan 4.420 nan 0.000 0.279 455 P C -0.484 176.576 177.300 -0.400 0.000 1.239 455 P CA -0.360 62.701 63.100 -0.064 0.000 0.789 455 P CB 0.772 32.308 31.700 -0.273 0.000 0.933 456 D N 1.916 122.142 120.400 -0.290 0.000 2.359 456 D HA 0.113 4.757 4.640 0.006 0.000 0.230 456 D C -0.214 175.954 176.300 -0.220 0.000 1.118 456 D CA -0.440 53.448 54.000 -0.186 0.000 0.844 456 D CB 0.283 41.065 40.800 -0.029 0.000 1.059 456 D HN 0.196 nan 8.370 nan 0.000 0.493 457 Y N 2.067 122.361 120.300 -0.010 0.000 2.466 457 Y HA 0.073 4.626 4.550 0.005 0.000 0.272 457 Y C 1.902 177.731 175.900 -0.119 0.000 1.169 457 Y CA 0.063 58.106 58.100 -0.096 0.000 1.285 457 Y CB -0.049 38.301 38.460 -0.183 0.000 1.078 457 Y HN 0.612 nan 8.280 nan 0.000 0.523 458 H N -0.698 118.428 119.070 0.093 0.000 2.524 458 H HA 0.015 4.575 4.556 0.006 0.000 0.282 458 H C 0.803 176.165 175.328 0.057 0.000 1.016 458 H CA 1.176 57.264 56.048 0.067 0.000 1.270 458 H CB 0.017 29.802 29.762 0.039 0.000 1.394 458 H HN 0.244 nan 8.280 nan 0.000 0.568 459 T N -2.934 111.712 114.554 0.153 0.000 2.925 459 T HA 0.244 4.597 4.350 0.006 0.000 0.285 459 T C 1.341 176.081 174.700 0.065 0.000 1.021 459 T CA -0.786 61.371 62.100 0.095 0.000 1.042 459 T CB 2.551 71.456 68.868 0.061 0.000 1.037 459 T HN 0.015 nan 8.240 nan 0.000 0.481 460 M N 1.438 121.070 119.600 0.054 0.000 2.082 460 M HA -0.038 4.445 4.480 0.006 0.000 0.258 460 M C 0.028 176.335 176.300 0.012 0.000 1.071 460 M CA 1.793 57.122 55.300 0.048 0.000 1.103 460 M CB -0.081 32.555 32.600 0.061 0.000 1.307 460 M HN 0.555 nan 8.290 nan 0.000 0.409 461 V N 1.290 121.156 119.914 -0.080 0.000 2.427 461 V HA 0.306 4.429 4.120 0.006 0.000 0.286 461 V C -0.334 175.628 176.094 -0.220 0.000 1.034 461 V CA -0.858 61.343 62.300 -0.165 0.000 0.893 461 V CB 1.318 32.971 31.823 -0.284 0.000 0.982 461 V HN 0.022 nan 8.190 nan 0.000 0.452 462 V N 4.213 124.078 119.914 -0.082 0.000 2.427 462 V HA 0.841 4.965 4.120 0.006 0.000 0.286 462 V C 0.728 176.833 176.094 0.019 0.000 1.034 462 V CA 0.254 62.551 62.300 -0.005 0.000 0.893 462 V CB 1.404 33.305 31.823 0.130 0.000 0.982 462 V HN 1.041 nan 8.190 nan 0.000 0.452 463 G N 5.154 113.944 108.800 -0.017 0.000 3.140 463 G HA2 0.732 4.696 3.960 0.006 0.000 0.271 463 G HA3 0.732 4.696 3.960 0.006 0.000 0.271 463 G C -3.110 171.694 174.900 -0.159 0.000 1.370 463 G CA -1.490 43.583 45.100 -0.046 0.000 1.014 463 G HN 0.513 nan 8.290 nan 0.000 0.541 464 P HA 0.204 nan 4.420 nan 0.000 0.275 464 P C 0.103 177.175 177.300 -0.380 0.000 1.227 464 P CA 0.023 62.636 63.100 -0.811 0.000 0.781 464 P CB 0.521 31.314 31.700 -1.510 0.000 0.906 465 T N 3.868 118.284 114.554 -0.231 0.000 2.800 465 T HA -0.086 4.268 4.350 0.006 0.000 0.283 465 T C 1.518 176.127 174.700 -0.152 0.000 0.999 465 T CA 0.040 62.056 62.100 -0.141 0.000 1.176 465 T CB -0.116 68.701 68.868 -0.084 0.000 0.973 465 T HN 0.358 nan 8.240 nan 0.000 0.519 466 L N 4.459 125.612 121.223 -0.116 0.000 1.989 466 L HA -0.131 4.213 4.340 0.006 0.000 0.211 466 L C 2.217 179.033 176.870 -0.089 0.000 1.071 466 L CA 1.844 56.620 54.840 -0.106 0.000 0.749 466 L CB -0.863 41.151 42.059 -0.074 0.000 0.890 466 L HN 0.556 nan 8.230 nan 0.000 0.431 467 N N 0.083 118.742 118.700 -0.069 0.000 2.165 467 N HA -0.293 4.451 4.740 0.006 0.000 0.198 467 N C 1.530 177.007 175.510 -0.056 0.000 0.999 467 N CA 2.104 55.122 53.050 -0.054 0.000 0.893 467 N CB -0.274 38.186 38.487 -0.045 0.000 1.025 467 N HN 0.664 nan 8.380 nan 0.000 0.456 468 Q N -1.907 117.849 119.800 -0.073 0.000 2.198 468 Q HA 0.246 4.589 4.340 0.006 0.000 0.209 468 Q C 0.462 176.408 176.000 -0.089 0.000 0.848 468 Q CA -0.186 55.577 55.803 -0.067 0.000 0.974 468 Q CB 0.600 29.302 28.738 -0.060 0.000 1.115 468 Q HN 0.304 nan 8.270 nan 0.000 0.494 469 C N 0.885 120.122 119.300 -0.105 0.000 2.693 469 C HA 0.249 4.713 4.460 0.006 0.000 0.286 469 C C 0.252 175.189 174.990 -0.088 0.000 1.277 469 C CA -0.638 58.305 59.018 -0.125 0.000 1.705 469 C CB -1.081 26.560 27.740 -0.165 0.000 1.879 469 C HN 0.354 nan 8.230 nan 0.000 0.607 470 L N 1.089 122.275 121.223 -0.061 0.000 2.513 470 L HA 0.271 4.615 4.340 0.006 0.000 0.272 470 L C 0.141 176.984 176.870 -0.044 0.000 1.187 470 L CA 1.030 55.844 54.840 -0.044 0.000 0.895 470 L CB 0.217 42.256 42.059 -0.034 0.000 1.147 470 L HN 0.051 nan 8.230 nan 0.000 0.483 471 V N 4.618 124.508 119.914 -0.040 0.000 2.962 471 V HA 0.527 4.650 4.120 0.006 0.000 0.313 471 V C -0.688 175.392 176.094 -0.024 0.000 1.099 471 V CA -0.955 61.330 62.300 -0.024 0.000 0.971 471 V CB 2.224 34.028 31.823 -0.033 0.000 1.028 471 V HN 0.796 nan 8.190 nan 0.000 0.430 472 K N 4.456 124.842 120.400 -0.022 0.000 2.265 472 K HA 0.478 4.802 4.320 0.006 0.000 0.267 472 K C -1.482 175.058 176.600 -0.099 0.000 0.994 472 K CA -0.592 55.630 56.287 -0.108 0.000 0.860 472 K CB 1.247 33.675 32.500 -0.121 0.000 1.099 472 K HN 0.755 nan 8.250 nan 0.000 0.448 473 Y N 0.361 120.532 120.300 -0.215 0.000 2.334 473 Y HA 0.472 5.025 4.550 0.006 0.000 0.328 473 Y C -0.734 175.045 175.900 -0.202 0.000 1.130 473 Y CA -0.761 57.121 58.100 -0.363 0.000 1.163 473 Y CB 1.447 39.480 38.460 -0.711 0.000 1.207 473 Y HN 0.263 nan 8.280 nan 0.000 0.471 474 T N 5.214 119.741 114.554 -0.044 0.000 2.815 474 T HA 0.342 4.695 4.350 0.006 0.000 0.289 474 T C -0.486 174.282 174.700 0.115 0.000 1.000 474 T CA -0.807 61.295 62.100 0.003 0.000 0.958 474 T CB 0.647 69.476 68.868 -0.064 0.000 0.944 474 T HN 0.743 nan 8.240 nan 0.000 0.442 475 R N 2.046 122.653 120.500 0.178 0.000 2.449 475 R HA 0.504 4.847 4.340 0.006 0.000 0.296 475 R C 0.385 176.572 176.300 -0.188 0.000 1.047 475 R CA 0.017 56.022 56.100 -0.158 0.000 1.018 475 R CB 0.087 30.360 30.300 -0.046 0.000 0.962 475 R HN 0.694 nan 8.270 nan 0.000 0.428 476 K N 0.000 120.228 120.400 -0.286 0.000 2.780 476 K HA 0.000 4.324 4.320 0.006 0.000 0.191 476 K CA 0.000 56.191 56.287 -0.160 0.000 0.838 476 K CB 0.000 32.428 32.500 -0.120 0.000 1.064 476 K HN 0.000 nan 8.250 nan 0.000 0.543