============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 3 0.840 12.362 28.296 48.883 -99.200 -91.000 PHE 11 1.000 -8.309 26.008 50.035 -99.200 -91.000 HIS 13 0.900 -8.416 23.242 39.590 -99.200 -91.000 TYR 16 0.840 -13.561 16.257 34.108 -99.200 -91.000 PHE 18 1.000 -4.846 21.062 29.983 -99.200 -91.000 TYR 24 0.840 -6.673 35.224 46.973 -99.200 -91.000 PHE 31 1.000 -11.549 36.793 38.931 -99.200 -91.000 TYR 37 0.840 -7.169 24.446 20.832 -99.200 -91.000 HIS 56 0.900 -15.328 35.079 27.924 -99.200 -91.000 TYR 62 0.840 -9.859 32.720 21.001 -99.200 -91.000 PHE 63 1.000 -4.877 24.537 25.426 -99.200 -91.000 TYR 75 0.840 -4.492 43.009 31.595 -99.200 -91.000 TRP 79 1.040 -0.499 26.300 23.330 -99.200 -91.000 TRP6 79 1.020 -1.226 24.210 22.551 -99.200 -91.000 PHE 85 1.000 -8.787 36.471 23.595 -99.200 -91.000 TYR 87 0.840 -11.381 37.327 29.301 -99.200 -91.000 PHE 98 1.000 -2.961 40.799 26.390 -99.200 -91.000 HIS 100 0.900 1.633 37.061 23.746 -99.200 -91.000 TRP 106 1.040 3.318 28.457 26.755 -99.200 -91.000 TRP6 106 1.020 4.562 26.612 27.478 -99.200 -91.000 TYR 116 0.840 6.496 40.469 36.198 -99.200 -91.000 TYR 125 0.840 8.681 36.836 26.369 -99.200 -91.000 HIS 130 0.900 -1.703 52.889 27.959 -99.200 -91.000 PHE 132 1.000 -1.903 45.224 26.457 -99.200 -91.000 HIS 138 0.900 13.399 39.947 33.919 -99.200 -91.000 TYR 142 0.840 19.156 25.638 39.056 -99.200 -91.000 HIS 145 0.900 21.695 23.093 32.402 -99.200 -91.000 TYR 155 0.840 5.238 40.734 41.639 -99.200 -91.000 TRP 161 1.040 7.228 32.399 43.446 -99.200 -91.000 TRP6 161 1.020 6.342 31.216 45.263 -99.200 -91.000 TRP 165 1.040 3.553 21.924 30.135 -99.200 -91.000 TRP6 165 1.020 4.099 21.322 27.933 -99.200 -91.000 TRP 183 1.040 15.107 25.664 40.533 -99.200 -91.000 TRP6 183 1.020 13.594 25.575 38.744 -99.200 -91.000 PHE 198 1.000 -8.708 13.027 42.711 -99.200 -91.000 TRP 209 1.040 1.250 36.643 46.819 -99.200 -91.000 TRP6 209 1.020 1.845 35.484 48.782 -99.200 -91.000 PHE 217 1.000 -4.868 30.017 47.973 -99.200 -91.000 TRP 223 1.040 -3.133 18.720 39.208 -99.200 -91.000 TRP6 223 1.020 -1.542 19.165 40.859 -99.200 -91.000 PHE 227 1.000 -3.026 19.982 46.482 -99.200 -91.000 HIS 232 0.900 7.660 24.294 55.529 -99.200 -91.000 HIS 236 0.900 17.147 17.557 51.886 -99.200 -91.000 TYR 242 0.840 15.951 16.486 43.358 -99.200 -91.000 HIS 246 0.900 14.019 14.881 40.186 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fawA1 ARG 5 HA -0.15 -0.04 0.28 -0.75 4.34 3.67 2fawA1 ARG 5 HB2 0.02 0.14 0.18 -0.04 1.90 2.20 2fawA1 ARG 5 HB3 -0.43 -0.06 -0.03 -0.04 1.80 1.24 2fawA1 ARG 5 HG2 -0.10 -0.01 0.07 -0.04 1.67 1.60 2fawA1 ARG 5 HG3 -0.02 0.01 0.09 -0.04 1.67 1.71 2fawA1 ARG 5 HD2 0.04 -0.04 -0.01 -0.04 3.22 3.17 2fawA1 ARG 5 HD3 0.01 -0.02 0.02 -0.04 3.22 3.19 2fawA1 VAL 6 H -0.32 0.27 0.24 -0.55 8.24 7.88 2fawA1 VAL 6 HA 0.03 0.25 1.11 -0.75 4.13 4.77 2fawA1 VAL 6 HB -0.14 -0.01 0.12 -0.04 2.12 2.05 2fawA1 VAL 6 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.82 2fawA1 VAL 6 HG23 0.07 -0.01 -0.15 -0.04 0.95 0.82 2fawA1 TYR 7 H 0.14 0.82 0.52 -0.55 8.29 9.23 2fawA1 TYR 7 HA -0.04 0.23 1.13 -0.75 4.56 5.13 2fawA1 TYR 7 HB2 -0.13 -0.08 0.01 -0.04 3.06 2.82 2fawA1 TYR 7 HB3 -0.07 0.01 -0.07 -0.04 2.98 2.81 2fawA1 TYR 7 HD2 -0.12 0.05 -0.41 -0.04 7.15 6.63 2fawA1 TYR 7 HE2 -0.11 0.04 -0.18 -0.04 6.85 6.55 2fawA1 ILE 8 H 0.10 0.68 0.38 -0.55 8.25 8.86 2fawA1 ILE 8 HA 0.06 0.33 1.07 -0.75 4.18 4.89 2fawA1 ILE 8 HB 0.06 -0.01 0.19 -0.04 1.89 2.09 2fawA1 ILE 8 HG12 0.07 0.10 0.05 -0.04 1.49 1.66 2fawA1 ILE 8 HG13 0.15 -0.03 -0.17 -0.04 1.21 1.12 2fawA1 ILE 8 HG23 0.01 -0.01 -0.02 -0.04 0.93 0.88 2fawA1 ILE 8 HD13 0.04 -0.00 -0.04 -0.04 0.88 0.84 2fawA1 VAL 9 H 0.07 0.21 0.26 -0.55 8.24 8.23 2fawA1 VAL 9 HA 0.10 0.37 1.26 -0.75 4.13 5.11 2fawA1 VAL 9 HB 0.07 0.00 -0.16 -0.04 2.12 2.00 2fawA1 VAL 9 HG13 0.05 0.02 -0.38 -0.04 0.97 0.61 2fawA1 VAL 9 HG23 0.03 -0.01 -0.09 -0.04 0.95 0.85 2fawA1 GLU 10 H 0.15 0.83 0.35 -0.55 8.60 9.38 2fawA1 GLU 10 HA 0.10 0.11 0.85 -0.75 4.29 4.60 2fawA1 GLU 10 HB2 0.24 0.00 -0.02 -0.04 2.09 2.27 2fawA1 GLU 10 HB3 0.31 0.00 0.12 -0.04 1.99 2.38 2fawA1 GLU 10 HG2 0.13 0.10 -0.56 -0.04 2.34 1.97 2fawA1 GLU 10 HG3 0.09 0.00 -0.03 -0.04 2.34 2.37 2fawA1 VAL 11 H 0.08 0.16 0.07 -0.55 8.24 8.00 2fawA1 VAL 11 HA 0.17 0.17 0.71 -0.75 4.13 4.43 2fawA1 VAL 11 HB 0.13 -0.00 0.07 -0.04 2.12 2.27 2fawA1 VAL 11 HG13 0.34 0.02 -0.28 -0.04 0.97 1.01 2fawA1 VAL 11 HG23 0.02 -0.00 -0.10 -0.04 0.95 0.83 2fawA1 LEU 12 H 0.15 0.75 0.39 -0.55 8.37 9.11 2fawA1 LEU 12 HA 0.08 0.11 0.72 -0.75 4.35 4.51 2fawA1 LEU 12 HB2 0.11 -0.02 -0.04 -0.04 1.64 1.64 2fawA1 LEU 12 HB3 0.07 -0.02 -0.01 -0.04 1.64 1.64 2fawA1 LEU 12 HG 0.09 0.01 -0.16 -0.04 1.64 1.54 2fawA1 LEU 12 HD13 0.04 -0.01 -0.14 -0.04 0.93 0.77 2fawA1 LEU 12 HD23 0.09 0.00 -0.10 -0.04 0.89 0.84 2fawA1 ASN 13 H 0.15 0.38 0.28 -0.55 8.53 8.80 2fawA1 ASN 13 HA -0.09 0.16 0.68 -0.75 4.76 4.76 2fawA1 ASN 13 HB2 0.13 -0.13 -0.03 -0.04 2.88 2.81 2fawA1 ASN 13 HB3 -0.76 0.13 -0.06 -0.04 2.79 2.06 2fawA1 ASN 13 HD21 0.09 0.01 -0.12 -0.04 7.03 6.98 2fawA1 ASN 13 HD22 0.19 -0.10 -0.20 -0.04 7.74 7.59 2fawA1 GLU 14 H -0.25 0.22 0.17 -0.55 8.60 8.19 2fawA1 GLU 14 HA -0.24 0.21 1.01 -0.75 4.29 4.52 2fawA1 GLU 14 HB2 -0.14 -0.01 0.06 -0.04 2.09 1.96 2fawA1 GLU 14 HB3 -0.26 0.07 -0.02 -0.04 1.99 1.74 2fawA1 GLU 14 HG2 0.16 0.01 -0.10 -0.04 2.34 2.37 2fawA1 GLU 14 HG3 0.09 -0.08 -0.19 -0.04 2.34 2.12 2fawA1 PHE 15 H -0.07 0.81 0.39 -0.55 8.34 8.91 2fawA1 PHE 15 HA -0.04 0.23 0.90 -0.75 4.62 4.95 2fawA1 PHE 15 HB2 -0.07 -0.11 -0.09 -0.04 3.15 2.84 2fawA1 PHE 15 HB3 -0.06 0.31 -0.00 -0.04 3.06 3.27 2fawA1 PHE 15 HD2 0.03 0.14 -0.19 -0.04 7.28 7.22 2fawA1 PHE 15 HE2 0.21 -0.07 -0.15 -0.04 7.38 7.32 2fawA1 PHE 15 HZ 0.19 -0.04 -0.15 -0.04 7.32 7.28 2fawA1 PRO 16 HA 0.00 0.23 0.55 -0.51 4.44 4.71 2fawA1 PRO 16 HB2 0.03 0.21 -0.23 -0.04 2.28 2.25 2fawA1 PRO 16 HB3 0.02 0.01 0.06 -0.04 2.02 2.06 2fawA1 PRO 16 HG2 0.04 0.01 0.13 -0.04 2.03 2.16 2fawA1 PRO 16 HG3 0.02 -0.01 0.07 -0.04 2.03 2.07 2fawA1 PRO 16 HD2 0.13 0.02 -0.14 -0.04 3.68 3.65 2fawA1 PRO 16 HD3 0.09 0.16 0.27 -0.04 3.65 4.13 2fawA1 HIS 17 H 0.06 0.81 -0.03 -0.55 8.41 8.70 2fawA1 HIS 17 HA -0.01 0.07 0.59 -0.75 4.63 4.53 2fawA1 HIS 17 HB2 0.01 -0.06 -0.52 -0.04 3.26 2.66 2fawA1 HIS 17 HB3 0.03 -0.01 -0.65 -0.04 3.20 2.53 2fawA1 HIS 17 HD2 -0.02 -0.05 -0.07 -0.04 6.97 6.78 2fawA1 HIS 17 HE1 -0.01 0.04 0.17 -0.04 7.75 7.91 2fawA1 ASP 18 H -0.48 0.11 0.04 -0.55 8.40 7.52 2fawA1 ASP 18 HA -0.08 0.12 0.45 -0.75 4.63 4.36 2fawA1 ASP 18 HB2 -0.15 0.11 0.11 -0.04 2.71 2.75 2fawA1 ASP 18 HB3 -0.35 -0.05 0.17 -0.04 2.70 2.44 2fawA1 PRO 19 HA 0.02 0.21 -0.40 -0.51 4.44 3.76 2fawA1 PRO 19 HB2 -0.14 0.02 -0.02 -0.04 2.28 2.09 2fawA1 PRO 19 HB3 -0.07 -0.00 -0.01 -0.04 2.02 1.90 2fawA1 PRO 19 HG2 0.24 -0.02 -0.03 -0.04 2.03 2.18 2fawA1 PRO 19 HG3 0.11 0.03 0.07 -0.04 2.03 2.20 2fawA1 PRO 19 HD2 0.09 -0.02 0.21 -0.04 3.68 3.93 2fawA1 PRO 19 HD3 0.01 0.32 0.32 -0.04 3.65 4.27 2fawA1 TYR 20 H 0.15 0.01 -0.59 -0.55 8.29 7.30 2fawA1 TYR 20 HA 0.08 0.25 0.88 -0.75 4.56 5.01 2fawA1 TYR 20 HB2 -0.00 -0.03 -0.02 -0.04 3.06 2.96 2fawA1 TYR 20 HB3 0.01 0.01 0.09 -0.04 2.98 3.05 2fawA1 TYR 20 HD2 0.03 -0.03 -0.06 -0.04 7.15 7.05 2fawA1 TYR 20 HE2 0.05 -0.01 -0.05 -0.04 6.85 6.80 2fawA1 ALA 21 H -0.03 0.61 -0.26 -0.55 8.40 8.17 2fawA1 ALA 21 HA 0.06 0.11 0.55 -0.75 4.34 4.31 2fawA1 ALA 21 HB3 -0.13 0.02 0.06 -0.04 1.41 1.32 2fawA1 PHE 22 H 0.17 0.34 0.12 -0.55 8.34 8.43 2fawA1 PHE 22 HA 0.01 0.00 0.62 -0.75 4.62 4.50 2fawA1 PHE 22 HB2 -0.07 0.17 0.02 -0.04 3.15 3.22 2fawA1 PHE 22 HB3 -0.18 -0.17 0.13 -0.04 3.06 2.80 2fawA1 PHE 22 HD2 -0.09 -0.03 -0.08 -0.04 7.28 7.05 2fawA1 PHE 22 HE2 0.07 0.02 -0.03 -0.04 7.38 7.40 2fawA1 PHE 22 HZ 0.07 0.00 -0.00 -0.04 7.32 7.34 2fawA1 THR 23 H -0.07 0.29 0.01 -0.55 8.28 7.96 2fawA1 THR 23 HA 0.01 0.06 0.17 -0.75 4.39 3.87 2fawA1 THR 23 HB -0.22 0.04 -0.11 -0.04 4.32 3.99 2fawA1 THR 23 HG23 -0.07 -0.03 -0.24 -0.04 1.22 0.84 2fawA1 GLN 24 H -0.01 0.79 0.46 -0.55 8.47 9.16 2fawA1 GLN 24 HA -0.13 0.09 0.85 -0.75 4.36 4.41 2fawA1 GLN 24 HB2 0.03 0.15 -0.33 -0.04 2.15 1.95 2fawA1 GLN 24 HB3 -0.03 -0.20 0.01 -0.04 2.02 1.76 2fawA1 GLN 24 HG2 -0.00 0.15 -0.34 -0.04 2.40 2.16 2fawA1 GLN 24 HG3 0.15 0.19 0.02 -0.04 2.39 2.72 2fawA1 GLN 24 HE21 -0.54 -0.08 0.02 -0.04 6.97 6.33 2fawA1 GLN 24 HE22 -0.23 -0.05 0.11 -0.04 7.69 7.48 2fawA1 GLY 25 H 0.01 0.37 0.31 -0.55 8.43 8.57 2fawA1 GLY 25 HA2 0.06 0.02 0.93 -0.51 4.01 4.51 2fawA1 GLY 25 HA3 0.08 0.11 0.39 -0.51 4.01 4.08 2fawA1 LEU 26 H 0.08 0.36 0.33 -0.55 8.37 8.59 2fawA1 LEU 26 HA 0.07 0.29 1.08 -0.75 4.35 5.05 2fawA1 LEU 26 HB2 0.01 -0.01 -0.27 -0.04 1.64 1.33 2fawA1 LEU 26 HB3 0.06 -0.06 -0.13 -0.04 1.64 1.47 2fawA1 LEU 26 HG 0.08 -0.00 -0.33 -0.04 1.64 1.35 2fawA1 LEU 26 HD13 0.01 0.04 -0.07 -0.04 0.93 0.88 2fawA1 LEU 26 HD23 0.03 -0.01 -0.50 -0.04 0.89 0.36 2fawA1 VAL 27 H 0.11 0.71 0.39 -0.55 8.24 8.90 2fawA1 VAL 27 HA 0.17 0.15 1.05 -0.75 4.13 4.75 2fawA1 VAL 27 HB 0.24 -0.03 0.07 -0.04 2.12 2.36 2fawA1 VAL 27 HG13 0.19 -0.03 -0.28 -0.04 0.97 0.82 2fawA1 VAL 27 HG23 0.14 -0.01 -0.36 -0.04 0.95 0.67 2fawA1 TYR 28 H 0.27 0.21 0.29 -0.55 8.29 8.50 2fawA1 TYR 28 HA -0.00 0.19 0.98 -0.75 4.56 4.98 2fawA1 TYR 28 HB2 0.14 -0.03 -0.24 -0.04 3.06 2.89 2fawA1 TYR 28 HB3 0.06 0.27 -0.07 -0.04 2.98 3.20 2fawA1 TYR 28 HD2 -0.11 0.12 -0.28 -0.04 7.15 6.84 2fawA1 TYR 28 HE2 -0.12 -0.01 -0.12 -0.04 6.85 6.57 2fawA1 ALA 29 H -0.54 0.85 0.24 -0.55 8.40 8.41 2fawA1 ALA 29 HA 0.07 0.09 0.66 -0.75 4.34 4.41 2fawA1 ALA 29 HB3 0.13 -0.01 0.04 -0.04 1.41 1.52 2fawA1 GLU 30 H -0.37 0.43 0.27 -0.55 8.60 8.38 2fawA1 GLU 30 HA 0.10 0.02 0.56 -0.75 4.29 4.21 2fawA1 GLU 30 HB2 0.02 -0.04 0.13 -0.04 2.09 2.16 2fawA1 GLU 30 HB3 0.02 0.16 -0.18 -0.04 1.99 1.94 2fawA1 GLU 30 HG2 -0.05 0.05 -0.34 -0.04 2.34 1.96 2fawA1 GLU 30 HG3 -0.00 0.04 -0.10 -0.04 2.34 2.24 2fawA1 ASN 31 H 0.08 0.16 0.14 -0.55 8.53 8.37 2fawA1 ASN 31 HA 0.02 0.07 0.36 -0.75 4.76 4.45 2fawA1 ASN 31 HB2 -0.07 0.13 -0.27 -0.04 2.88 2.63 2fawA1 ASN 31 HB3 -0.04 0.06 0.15 -0.04 2.79 2.92 2fawA1 ASN 31 HD21 -0.01 0.03 -0.04 -0.04 7.03 6.98 2fawA1 ASN 31 HD22 -0.02 0.04 -0.07 -0.04 7.74 7.65 2fawA1 ASP 32 H 0.11 0.00 -0.23 -0.55 8.40 7.74 2fawA1 ASP 32 HA -0.00 0.02 0.21 -0.75 4.63 4.10 2fawA1 ASP 32 HB2 -0.06 0.25 -0.38 -0.04 2.71 2.48 2fawA1 ASP 32 HB3 -0.12 -0.17 0.25 -0.04 2.70 2.62 2fawA1 THR 33 H -0.51 0.20 -0.36 -0.55 8.28 7.07 2fawA1 THR 33 HA -0.34 0.26 1.09 -0.75 4.39 4.64 2fawA1 THR 33 HB -0.32 -0.19 0.20 -0.04 4.32 3.96 2fawA1 THR 33 HG23 -0.50 0.02 -0.08 -0.04 1.22 0.62 2fawA1 LEU 34 H -0.39 0.96 0.37 -0.55 8.37 8.77 2fawA1 LEU 34 HA -0.25 0.13 1.07 -0.75 4.35 4.54 2fawA1 LEU 34 HB2 -0.21 -0.04 -0.11 -0.04 1.64 1.24 2fawA1 LEU 34 HB3 -0.11 0.11 0.01 -0.04 1.64 1.61 2fawA1 LEU 34 HG -0.33 -0.07 -0.28 -0.04 1.64 0.92 2fawA1 LEU 34 HD13 -0.25 0.02 -0.23 -0.04 0.93 0.43 2fawA1 LEU 34 HD23 -0.21 -0.02 -0.19 -0.04 0.89 0.42 2fawA1 PHE 35 H 0.09 0.53 0.32 -0.55 8.34 8.72 2fawA1 PHE 35 HA -0.05 0.46 1.07 -0.75 4.62 5.34 2fawA1 PHE 35 HB2 -0.01 -0.13 -0.03 -0.04 3.15 2.94 2fawA1 PHE 35 HB3 -0.03 0.03 -0.05 -0.04 3.06 2.98 2fawA1 PHE 35 HD2 -0.06 0.01 -0.26 -0.04 7.28 6.93 2fawA1 PHE 35 HE2 -0.06 0.03 -0.11 -0.04 7.38 7.20 2fawA1 PHE 35 HZ -0.04 0.04 -0.10 -0.04 7.32 7.17 2fawA1 GLU 36 H 0.11 0.61 0.34 -0.55 8.60 9.12 2fawA1 GLU 36 HA 0.08 0.33 1.09 -0.75 4.29 5.03 2fawA1 GLU 36 HB2 0.04 -0.05 -0.28 -0.04 2.09 1.76 2fawA1 GLU 36 HB3 0.03 -0.06 -0.08 -0.04 1.99 1.84 2fawA1 GLU 36 HG2 0.06 -0.01 -0.36 -0.04 2.34 2.00 2fawA1 GLU 36 HG3 0.07 0.17 0.13 -0.04 2.34 2.66 2fawA1 SER 37 H 0.06 0.63 0.37 -0.55 8.46 8.97 2fawA1 SER 37 HA 0.02 0.39 1.16 -0.75 4.49 5.31 2fawA1 SER 37 HB2 0.06 -0.09 0.00 -0.04 3.95 3.88 2fawA1 SER 37 HB3 0.07 -0.08 0.09 -0.04 3.93 3.97 2fawA1 THR 38 H 0.01 0.59 0.38 -0.55 8.28 8.71 2fawA1 THR 38 HA 0.03 0.16 0.87 -0.75 4.39 4.69 2fawA1 THR 38 HB 0.04 -0.11 0.08 -0.04 4.32 4.29 2fawA1 THR 38 HG23 0.03 -0.01 -0.27 -0.04 1.22 0.93 2fawA1 GLY 39 H 0.07 0.67 0.26 -0.55 8.43 8.89 2fawA1 GLY 39 HA2 -0.38 -0.07 0.92 -0.51 4.01 3.97 2fawA1 GLY 39 HA3 -0.48 0.04 0.40 -0.51 4.01 3.47 2fawA1 LEU 40 H -3.62 0.07 0.12 -0.55 8.37 4.40 2fawA1 LEU 40 HA -1.00 -0.03 0.43 -0.75 4.35 3.00 2fawA1 LEU 40 HB2 -0.35 0.20 0.33 -0.04 1.64 1.78 2fawA1 LEU 40 HB3 -0.30 0.08 0.03 -0.04 1.64 1.41 2fawA1 LEU 40 HG -1.18 -0.12 -0.38 -0.04 1.64 -0.08 2fawA1 LEU 40 HD13 -0.29 0.03 -0.03 -0.04 0.93 0.59 2fawA1 LEU 40 HD23 -0.96 -0.00 0.02 -0.04 0.89 -0.09 2fawA1 TYR 41 H -0.10 0.09 0.15 -0.55 8.29 7.88 2fawA1 TYR 41 HA 0.04 0.29 0.57 -0.75 4.56 4.71 2fawA1 TYR 41 HB2 0.09 -0.07 0.19 -0.04 3.06 3.22 2fawA1 TYR 41 HB3 0.06 0.16 0.10 -0.04 2.98 3.25 2fawA1 TYR 41 HD2 0.22 0.09 -0.17 -0.04 7.15 7.24 2fawA1 TYR 41 HE2 0.32 0.09 -0.08 -0.04 6.85 7.14 2fawA1 GLY 42 H 0.10 0.23 0.33 -0.55 8.43 8.55 2fawA1 GLY 42 HA2 0.04 -0.07 0.40 -0.51 4.01 3.87 2fawA1 GLY 42 HA3 0.04 0.12 0.63 -0.51 4.01 4.29 2fawA1 ARG 43 H -0.06 0.46 -0.22 -0.55 8.46 8.09 2fawA1 ARG 43 HA -0.03 0.15 0.88 -0.75 4.34 4.59 2fawA1 ARG 43 HB2 -0.11 -0.01 -0.12 -0.04 1.90 1.62 2fawA1 ARG 43 HB3 -0.04 -0.02 0.12 -0.04 1.80 1.82 2fawA1 ARG 43 HG2 -0.01 -0.04 0.01 -0.04 1.67 1.59 2fawA1 ARG 43 HG3 -0.02 0.08 -0.49 -0.04 1.67 1.21 2fawA1 ARG 43 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.09 2fawA1 ARG 43 HD3 -0.03 -0.01 -0.11 -0.04 3.22 3.03 2fawA1 SER 44 H -0.04 -0.04 0.09 -0.55 8.46 7.93 2fawA1 SER 44 HA -0.08 0.27 0.37 -0.75 4.49 4.30 2fawA1 SER 44 HB2 0.06 0.04 0.00 -0.04 3.95 4.01 2fawA1 SER 44 HB3 0.04 -0.03 0.09 -0.04 3.93 3.98 2fawA1 SER 45 H 0.00 0.37 0.47 -0.55 8.46 8.76 2fawA1 SER 45 HA 0.03 0.20 0.96 -0.75 4.49 4.92 2fawA1 SER 45 HB2 -0.01 0.03 -0.05 -0.04 3.95 3.88 2fawA1 SER 45 HB3 -0.01 0.09 -0.34 -0.04 3.93 3.63 2fawA1 VAL 46 H -0.01 0.59 0.40 -0.55 8.24 8.68 2fawA1 VAL 46 HA -0.06 0.34 0.95 -0.75 4.13 4.61 2fawA1 VAL 46 HB -0.53 -0.03 0.11 -0.04 2.12 1.63 2fawA1 VAL 46 HG13 -0.22 -0.01 -0.17 -0.04 0.97 0.53 2fawA1 VAL 46 HG23 -0.50 -0.00 -0.11 -0.04 0.95 0.30 2fawA1 ARG 47 H 0.05 0.59 0.35 -0.55 8.46 8.90 2fawA1 ARG 47 HA 0.01 0.31 1.19 -0.75 4.34 5.10 2fawA1 ARG 47 HB2 -0.00 -0.11 -0.03 -0.04 1.90 1.72 2fawA1 ARG 47 HB3 -0.04 0.06 -0.12 -0.04 1.80 1.66 2fawA1 ARG 47 HG2 -0.02 0.05 -0.14 -0.04 1.67 1.52 2fawA1 ARG 47 HG3 -0.00 -0.09 -0.52 -0.04 1.67 1.01 2fawA1 ARG 47 HD2 -0.00 -0.05 -0.21 -0.04 3.22 2.92 2fawA1 ARG 47 HD3 -0.03 0.00 -0.14 -0.04 3.22 3.01 2fawA1 GLN 48 H -0.01 0.70 0.36 -0.55 8.47 8.97 2fawA1 GLN 48 HA -0.68 0.28 1.06 -0.75 4.36 4.28 2fawA1 GLN 48 HB2 0.02 0.07 0.07 -0.04 2.15 2.27 2fawA1 GLN 48 HB3 -0.10 -0.11 0.17 -0.04 2.02 1.94 2fawA1 GLN 48 HG2 -0.35 -0.05 -0.28 -0.04 2.40 1.68 2fawA1 GLN 48 HG3 -0.99 0.04 0.03 -0.04 2.39 1.44 2fawA1 GLN 48 HE21 -0.07 0.01 -0.07 -0.04 6.97 6.80 2fawA1 GLN 48 HE22 -0.17 -0.04 -0.13 -0.04 7.69 7.32 2fawA1 VAL 49 H -0.43 0.84 0.29 -0.55 8.24 8.39 2fawA1 VAL 49 HA -0.14 0.29 1.03 -0.75 4.13 4.54 2fawA1 VAL 49 HB -0.15 -0.10 -0.22 -0.04 2.12 1.61 2fawA1 VAL 49 HG13 -0.09 0.06 -0.50 -0.04 0.97 0.41 2fawA1 VAL 49 HG23 -0.07 -0.01 -0.45 -0.04 0.95 0.38 2fawA1 ALA 50 H -0.13 0.78 0.21 -0.55 8.40 8.72 2fawA1 ALA 50 HA -0.18 0.21 0.85 -0.75 4.34 4.47 2fawA1 ALA 50 HB3 -0.09 -0.03 0.14 -0.04 1.41 1.39 2fawA1 LEU 51 H -0.24 0.93 0.36 -0.55 8.37 8.88 2fawA1 LEU 51 HA -0.36 0.09 0.24 -0.75 4.35 3.56 2fawA1 LEU 51 HB2 -0.45 -0.07 -0.11 -0.04 1.64 0.97 2fawA1 LEU 51 HB3 -0.30 -0.02 0.18 -0.04 1.64 1.45 2fawA1 LEU 51 HG -1.21 0.08 -0.43 -0.04 1.64 0.03 2fawA1 LEU 51 HD13 -1.41 0.01 -0.18 -0.04 0.93 -0.69 2fawA1 LEU 51 HD23 -0.41 -0.03 -0.12 -0.04 0.89 0.30 2fawA1 GLN 52 H -0.10 0.09 -0.12 -0.55 8.47 7.79 2fawA1 GLN 52 HA 0.28 0.10 0.12 -0.75 4.36 4.10 2fawA1 GLN 52 HB2 0.02 -0.04 0.07 -0.04 2.15 2.16 2fawA1 GLN 52 HB3 0.09 0.06 0.03 -0.04 2.02 2.17 2fawA1 GLN 52 HG2 -0.02 -0.08 0.06 -0.04 2.40 2.32 2fawA1 GLN 52 HG3 0.05 0.03 0.02 -0.04 2.39 2.44 2fawA1 GLN 52 HE21 0.32 0.03 -0.08 -0.04 6.97 7.20 2fawA1 GLN 52 HE22 0.04 -0.07 -0.05 -0.04 7.69 7.56 2fawA1 THR 53 H -0.02 -0.01 -0.33 -0.55 8.28 7.37 2fawA1 THR 53 HA 0.04 0.25 0.82 -0.75 4.39 4.75 2fawA1 THR 53 HB -0.00 0.05 0.05 -0.04 4.32 4.38 2fawA1 THR 53 HG23 0.01 -0.00 -0.10 -0.04 1.22 1.08 2fawA1 GLY 54 H -0.04 0.33 -0.15 -0.55 8.43 8.03 2fawA1 GLY 54 HA2 -0.04 0.00 0.22 -0.51 4.01 3.68 2fawA1 GLY 54 HA3 -0.00 0.18 0.25 -0.51 4.01 3.93 2fawA1 LYS 55 H -0.04 -0.09 -0.39 -0.55 8.42 7.35 2fawA1 LYS 55 HA -0.04 0.10 0.32 -0.75 4.32 3.95 2fawA1 LYS 55 HB2 -0.03 0.05 -0.02 -0.04 1.87 1.83 2fawA1 LYS 55 HB3 -0.05 -0.13 0.01 -0.04 1.79 1.58 2fawA1 LYS 55 HG2 -0.04 0.00 -0.46 -0.04 1.46 0.92 2fawA1 LYS 55 HG3 -0.03 0.03 -0.05 -0.04 1.46 1.36 2fawA1 LYS 55 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2fawA1 LYS 55 HD3 -0.02 -0.05 -0.05 -0.04 1.68 1.52 2fawA1 LYS 55 HE2 -0.03 -0.01 -0.08 -0.04 2.99 2.82 2fawA1 LYS 55 HE3 -0.02 0.05 -0.03 -0.04 2.99 2.95 2fawA1 VAL 56 H -0.05 0.16 0.17 -0.55 8.24 7.97 2fawA1 VAL 56 HA -0.07 0.13 0.69 -0.75 4.13 4.13 2fawA1 VAL 56 HB -0.04 -0.02 0.13 -0.04 2.12 2.15 2fawA1 VAL 56 HG13 -0.04 -0.01 -0.20 -0.04 0.97 0.69 2fawA1 VAL 56 HG23 -0.05 0.02 -0.01 -0.04 0.95 0.86 2fawA1 GLU 57 H -0.09 0.82 0.45 -0.55 8.60 9.23 2fawA1 GLU 57 HA -0.05 0.10 0.58 -0.75 4.29 4.16 2fawA1 GLU 57 HB2 -0.12 -0.00 -0.09 -0.04 2.09 1.84 2fawA1 GLU 57 HB3 -0.07 -0.02 -0.03 -0.04 1.99 1.83 2fawA1 GLU 57 HG2 -0.07 -0.00 -0.13 -0.04 2.34 2.10 2fawA1 GLU 57 HG3 -0.10 0.09 -0.06 -0.04 2.34 2.22 2fawA1 ASN 58 H -0.05 0.38 0.28 -0.55 8.53 8.59 2fawA1 ASN 58 HA -0.01 0.16 0.51 -0.75 4.76 4.67 2fawA1 ASN 58 HB2 0.00 0.05 -0.19 -0.04 2.88 2.71 2fawA1 ASN 58 HB3 0.05 -0.12 -0.03 -0.04 2.79 2.64 2fawA1 ASN 58 HD21 0.05 -0.01 -0.14 -0.04 7.03 6.89 2fawA1 ASN 58 HD22 0.08 0.07 -0.19 -0.04 7.74 7.65 2fawA1 ILE 59 H 0.01 0.32 0.13 -0.55 8.25 8.16 2fawA1 ILE 59 HA 0.01 0.29 1.05 -0.75 4.18 4.77 2fawA1 ILE 59 HB -0.02 -0.01 -0.26 -0.04 1.89 1.55 2fawA1 ILE 59 HG12 -0.03 -0.05 -0.48 -0.04 1.49 0.89 2fawA1 ILE 59 HG13 -0.01 0.08 -0.10 -0.04 1.21 1.13 2fawA1 ILE 59 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2fawA1 ILE 59 HD13 -0.02 -0.00 -0.14 -0.04 0.88 0.67 2fawA1 HIS 60 H 0.05 0.97 0.36 -0.55 8.41 9.25 2fawA1 HIS 60 HA -0.02 0.16 0.87 -0.75 4.63 4.88 2fawA1 HIS 60 HB2 -0.08 0.19 0.15 -0.04 3.26 3.48 2fawA1 HIS 60 HB3 -0.23 -0.17 0.27 -0.04 3.20 3.02 2fawA1 HIS 60 HD2 -0.04 -0.14 -0.38 -0.04 6.97 6.37 2fawA1 HIS 60 HE1 0.05 -0.09 0.04 -0.04 7.75 7.70 2fawA1 LYS 61 H -0.23 0.19 0.00 -0.55 8.42 7.83 2fawA1 LYS 61 HA -0.06 0.17 0.78 -0.75 4.32 4.46 2fawA1 LYS 61 HB2 -0.07 -0.01 0.02 -0.04 1.87 1.77 2fawA1 LYS 61 HB3 -0.12 -0.06 0.13 -0.04 1.79 1.70 2fawA1 LYS 61 HG2 -0.07 0.01 -0.22 -0.04 1.46 1.14 2fawA1 LYS 61 HG3 -0.04 0.13 -0.05 -0.04 1.46 1.46 2fawA1 LYS 61 HD2 -0.04 -0.01 -0.02 -0.04 1.69 1.57 2fawA1 LYS 61 HD3 -0.05 -0.07 -0.02 -0.04 1.68 1.50 2fawA1 LYS 61 HE2 -0.03 -0.05 0.00 -0.04 2.99 2.87 2fawA1 LYS 61 HE3 -0.03 -0.08 -0.03 -0.04 2.99 2.82 2fawA1 MET 62 H 0.02 0.69 0.22 -0.55 8.47 8.85 2fawA1 MET 62 HA 0.09 0.00 0.42 -0.75 4.52 4.28 2fawA1 MET 62 HB2 0.12 0.09 -0.16 -0.04 2.15 2.16 2fawA1 MET 62 HB3 0.24 -0.08 -0.05 -0.04 2.03 2.10 2fawA1 MET 62 HG2 0.23 -0.03 -0.18 -0.04 2.63 2.61 2fawA1 MET 62 HG3 0.14 0.04 -0.30 -0.04 2.56 2.41 2fawA1 MET 62 HE3 -0.09 -0.01 -0.18 -0.04 2.10 1.78 2fawA1 ASP 63 H 0.22 0.08 0.11 -0.55 8.40 8.26 2fawA1 ASP 63 HA 0.02 0.11 0.52 -0.75 4.63 4.52 2fawA1 ASP 63 HB2 0.11 0.09 0.14 -0.04 2.71 3.00 2fawA1 ASP 63 HB3 -0.09 -0.04 0.05 -0.04 2.70 2.58 2fawA1 ASP 64 H -0.00 0.18 0.20 -0.55 8.40 8.22 2fawA1 ASP 64 HA 0.07 -0.02 0.47 -0.75 4.63 4.40 2fawA1 ASP 64 HB2 -0.01 -0.02 0.10 -0.04 2.71 2.73 2fawA1 ASP 64 HB3 0.03 0.03 0.06 -0.04 2.70 2.78 2fawA1 SER 65 H -0.12 -0.02 -0.54 -0.55 8.46 7.24 2fawA1 SER 65 HA -0.06 0.12 0.38 -0.75 4.49 4.17 2fawA1 SER 65 HB2 -0.20 0.04 0.06 -0.04 3.95 3.81 2fawA1 SER 65 HB3 -0.17 -0.02 0.02 -0.04 3.93 3.72 2fawA1 TYR 66 H 0.12 0.54 -0.37 -0.55 8.29 8.03 2fawA1 TYR 66 HA 0.33 0.22 0.85 -0.75 4.56 5.21 2fawA1 TYR 66 HB2 0.12 0.09 -0.06 -0.04 3.06 3.17 2fawA1 TYR 66 HB3 0.24 -0.03 -0.19 -0.04 2.98 2.96 2fawA1 TYR 66 HD2 0.14 -0.00 -0.05 -0.04 7.15 7.19 2fawA1 TYR 66 HE2 0.09 -0.00 -0.06 -0.04 6.85 6.83 2fawA1 PHE 67 H 0.52 0.24 0.06 -0.55 8.34 8.61 2fawA1 PHE 67 HA -0.11 0.12 0.68 -0.75 4.62 4.55 2fawA1 PHE 67 HB2 -0.76 0.09 -0.10 -0.04 3.15 2.34 2fawA1 PHE 67 HB3 0.26 -0.07 0.25 -0.04 3.06 3.46 2fawA1 PHE 67 HD2 -0.59 0.13 -0.13 -0.04 7.28 6.65 2fawA1 PHE 67 HE2 -0.29 0.10 0.06 -0.04 7.38 7.22 2fawA1 PHE 67 HZ -0.35 0.09 0.03 -0.04 7.32 7.05 2fawA1 GLY 68 H -0.04 0.21 0.15 -0.55 8.43 8.20 2fawA1 GLY 68 HA2 0.20 -0.00 0.34 -0.51 4.01 4.03 2fawA1 GLY 68 HA3 0.08 0.23 0.32 -0.51 4.01 4.13 2fawA1 GLU 69 H 0.18 0.56 0.25 -0.55 8.60 9.04 2fawA1 GLU 69 HA 0.08 0.12 0.85 -0.75 4.29 4.58 2fawA1 GLU 69 HB2 0.18 -0.09 -0.56 -0.04 2.09 1.58 2fawA1 GLU 69 HB3 0.10 0.04 0.11 -0.04 1.99 2.20 2fawA1 GLU 69 HG2 0.30 0.05 -0.52 -0.04 2.34 2.13 2fawA1 GLU 69 HG3 0.24 0.02 -0.22 -0.04 2.34 2.35 2fawA1 GLY 70 H 0.13 0.55 0.16 -0.55 8.43 8.73 2fawA1 GLY 70 HA2 0.10 0.16 0.56 -0.51 4.01 4.32 2fawA1 GLY 70 HA3 0.14 -0.13 0.54 -0.51 4.01 4.06 2fawA1 LEU 71 H 0.12 0.24 0.46 -0.55 8.37 8.64 2fawA1 LEU 71 HA 0.19 0.46 1.13 -0.75 4.35 5.37 2fawA1 LEU 71 HB2 0.11 0.12 -0.21 -0.04 1.64 1.62 2fawA1 LEU 71 HB3 0.11 -0.17 -0.12 -0.04 1.64 1.41 2fawA1 LEU 71 HG 0.11 0.00 -0.27 -0.04 1.64 1.43 2fawA1 LEU 71 HD13 0.09 0.05 -0.20 -0.04 0.93 0.83 2fawA1 LEU 71 HD23 0.11 0.00 -0.55 -0.04 0.89 0.40 2fawA1 THR 72 H 0.21 0.66 0.39 -0.55 8.28 8.99 2fawA1 THR 72 HA 0.13 0.15 0.57 -0.75 4.39 4.49 2fawA1 THR 72 HB 0.13 0.17 -0.52 -0.04 4.32 4.06 2fawA1 THR 72 HG23 0.08 0.04 -0.30 -0.04 1.22 1.00 2fawA1 LEU 73 H 0.11 0.23 0.19 -0.55 8.37 8.35 2fawA1 LEU 73 HA 0.08 0.34 0.98 -0.75 4.35 5.00 2fawA1 LEU 73 HB2 -0.02 0.01 -0.16 -0.04 1.64 1.42 2fawA1 LEU 73 HB3 0.08 0.02 0.13 -0.04 1.64 1.83 2fawA1 LEU 73 HG 0.03 -0.08 -0.32 -0.04 1.64 1.23 2fawA1 LEU 73 HD13 -0.15 0.05 -0.31 -0.04 0.93 0.48 2fawA1 LEU 73 HD23 0.07 0.02 -0.08 -0.04 0.89 0.85 2fawA1 LEU 74 H 0.19 1.00 0.26 -0.55 8.37 9.27 2fawA1 LEU 74 HA 0.02 0.08 0.88 -0.75 4.35 4.57 2fawA1 LEU 74 HB2 -0.11 -0.03 -0.31 -0.04 1.64 1.15 2fawA1 LEU 74 HB3 -0.01 0.08 -0.07 -0.04 1.64 1.60 2fawA1 LEU 74 HG -0.04 0.06 -0.36 -0.04 1.64 1.26 2fawA1 LEU 74 HD13 -0.09 -0.03 -0.21 -0.04 0.93 0.56 2fawA1 LEU 74 HD23 -0.43 0.03 -0.26 -0.04 0.89 0.19 2fawA1 ASN 75 H 0.02 0.18 0.13 -0.55 8.53 8.31 2fawA1 ASN 75 HA 0.02 0.04 0.37 -0.75 4.76 4.43 2fawA1 ASN 75 HB2 0.07 0.14 -0.01 -0.04 2.88 3.04 2fawA1 ASN 75 HB3 0.02 0.02 0.16 -0.04 2.79 2.95 2fawA1 ASN 75 HD21 -0.03 0.16 0.08 -0.04 7.03 7.20 2fawA1 ASN 75 HD22 -0.00 -0.04 0.13 -0.04 7.74 7.78 2fawA1 GLU 76 H 0.02 0.05 -0.25 -0.55 8.60 7.88 2fawA1 GLU 76 HA -0.02 -0.02 0.20 -0.75 4.29 3.70 2fawA1 GLU 76 HB2 0.00 0.24 -0.18 -0.04 2.09 2.11 2fawA1 GLU 76 HB3 -0.01 -0.09 0.17 -0.04 1.99 2.03 2fawA1 GLU 76 HG2 0.01 -0.07 -0.07 -0.04 2.34 2.17 2fawA1 GLU 76 HG3 0.01 0.05 -0.12 -0.04 2.34 2.24 2fawA1 LYS 77 H 0.06 0.42 -0.55 -0.55 8.42 7.80 2fawA1 LYS 77 HA -0.08 0.18 1.12 -0.75 4.32 4.79 2fawA1 LYS 77 HB2 0.07 0.14 0.03 -0.04 1.87 2.07 2fawA1 LYS 77 HB3 -0.31 -0.01 -0.09 -0.04 1.79 1.34 2fawA1 LYS 77 HG2 -0.06 -0.08 -0.10 -0.04 1.46 1.18 2fawA1 LYS 77 HG3 -0.00 0.10 -0.24 -0.04 1.46 1.28 2fawA1 LYS 77 HD2 -0.07 -0.02 -0.11 -0.04 1.69 1.45 2fawA1 LYS 77 HD3 -0.01 -0.05 -0.08 -0.04 1.68 1.50 2fawA1 LYS 77 HE2 0.15 0.06 -0.03 -0.04 2.99 3.13 2fawA1 LYS 77 HE3 0.11 -0.03 -0.05 -0.04 2.99 2.98 2fawA1 LEU 78 H -0.09 0.74 0.29 -0.55 8.37 8.77 2fawA1 LEU 78 HA 0.04 0.27 1.00 -0.75 4.35 4.91 2fawA1 LEU 78 HB2 0.04 -0.06 0.03 -0.04 1.64 1.61 2fawA1 LEU 78 HB3 0.01 0.06 -0.12 -0.04 1.64 1.55 2fawA1 LEU 78 HG -0.43 -0.12 -0.25 -0.04 1.64 0.81 2fawA1 LEU 78 HD13 -0.65 0.02 -0.20 -0.04 0.93 0.06 2fawA1 LEU 78 HD23 -0.35 0.02 -0.24 -0.04 0.89 0.28 2fawA1 TYR 79 H 0.34 0.70 0.38 -0.55 8.29 9.16 2fawA1 TYR 79 HA 0.26 0.27 0.96 -0.75 4.56 5.29 2fawA1 TYR 79 HB2 0.08 -0.11 0.04 -0.04 3.06 3.03 2fawA1 TYR 79 HB3 0.12 0.02 -0.14 -0.04 2.98 2.93 2fawA1 TYR 79 HD2 -0.21 0.02 -0.18 -0.04 7.15 6.74 2fawA1 TYR 79 HE2 0.11 0.14 -0.09 -0.04 6.85 6.97 2fawA1 GLN 80 H 0.42 0.73 0.36 -0.55 8.47 9.43 2fawA1 GLN 80 HA 0.26 0.47 1.15 -0.75 4.36 5.49 2fawA1 GLN 80 HB2 0.36 -0.08 -0.23 -0.04 2.15 2.16 2fawA1 GLN 80 HB3 0.47 -0.13 0.04 -0.04 2.02 2.36 2fawA1 GLN 80 HG2 0.23 0.32 -0.07 -0.04 2.40 2.84 2fawA1 GLN 80 HG3 0.18 0.08 -0.03 -0.04 2.39 2.57 2fawA1 GLN 80 HE21 0.09 -0.05 -0.16 -0.04 6.97 6.81 2fawA1 GLN 80 HE22 0.10 0.08 -0.02 -0.04 7.69 7.81 2fawA1 VAL 81 H 0.20 0.46 0.12 -0.55 8.24 8.47 2fawA1 VAL 81 HA -0.02 0.24 0.98 -0.75 4.13 4.56 2fawA1 VAL 81 HB 0.14 0.00 0.15 -0.04 2.12 2.38 2fawA1 VAL 81 HG13 0.17 -0.01 -0.22 -0.04 0.97 0.87 2fawA1 VAL 81 HG23 0.14 -0.01 -0.23 -0.04 0.95 0.82 2fawA1 VAL 82 H 0.15 0.37 0.25 -0.55 8.24 8.45 2fawA1 VAL 82 HA 0.27 0.22 0.99 -0.75 4.13 4.86 2fawA1 VAL 82 HB 0.37 -0.07 -0.00 -0.04 2.12 2.38 2fawA1 VAL 82 HG13 0.28 -0.03 -0.40 -0.04 0.97 0.77 2fawA1 VAL 82 HG23 0.07 0.03 -0.17 -0.04 0.95 0.84 2fawA1 TRP 83 H 0.49 0.61 0.32 -0.55 7.97 8.84 2fawA1 TRP 83 HA 0.05 0.04 0.45 -0.75 4.62 4.40 2fawA1 TRP 83 HB2 -0.22 0.10 0.11 -0.04 3.23 3.18 2fawA1 TRP 83 HB3 -0.22 -0.06 0.17 -0.04 3.23 3.09 2fawA1 TRP 83 HD1 -0.01 -0.03 0.09 -0.04 7.22 7.23 2fawA1 TRP 83 HE1 0.02 0.01 0.02 -0.04 10.20 10.20 2fawA1 TRP 83 HE3 -1.19 -0.04 0.01 -0.04 7.59 6.32 2fawA1 TRP 83 HZ2 -0.10 0.01 0.01 -0.04 7.44 7.32 2fawA1 TRP 83 HZ3 -0.12 -0.01 0.01 -0.04 7.13 6.97 2fawA1 TRP 83 HH2 -0.06 0.01 0.01 -0.04 7.19 7.11 2fawA1 LEU 84 H 0.02 0.08 0.32 -0.55 8.37 8.25 2fawA1 LEU 84 HA -0.21 0.04 0.43 -0.75 4.35 3.85 2fawA1 LEU 84 HB2 -0.30 0.19 0.09 -0.04 1.64 1.58 2fawA1 LEU 84 HB3 -0.34 -0.01 0.23 -0.04 1.64 1.48 2fawA1 LEU 84 HG -2.47 -0.11 -0.28 -0.04 1.64 -1.26 2fawA1 LEU 84 HD13 -0.96 0.01 -0.01 -0.04 0.93 -0.06 2fawA1 LEU 84 HD23 -0.87 0.00 0.07 -0.04 0.89 0.05 2fawA1 LYS 85 H 0.10 0.27 -0.05 -0.55 8.42 8.19 2fawA1 LYS 85 HA -0.03 0.15 0.66 -0.75 4.32 4.36 2fawA1 LYS 85 HB2 0.08 0.06 -0.14 -0.04 1.87 1.83 2fawA1 LYS 85 HB3 -0.02 -0.25 0.13 -0.04 1.79 1.61 2fawA1 LYS 85 HG2 0.05 0.12 0.09 -0.04 1.46 1.68 2fawA1 LYS 85 HG3 0.15 0.19 -0.40 -0.04 1.46 1.36 2fawA1 LYS 85 HD2 0.48 -0.04 -0.10 -0.04 1.69 1.99 2fawA1 LYS 85 HD3 0.21 -0.08 -0.02 -0.04 1.68 1.74 2fawA1 LYS 85 HE2 0.12 0.09 -0.00 -0.04 2.99 3.16 2fawA1 LYS 85 HE3 0.19 -0.04 -0.06 -0.04 2.99 3.05 2fawA1 ASN 86 H -0.14 0.16 0.13 -0.55 8.53 8.14 2fawA1 ASN 86 HA -0.72 0.19 0.80 -0.75 4.76 4.28 2fawA1 ASN 86 HB2 -0.21 -0.04 0.10 -0.04 2.88 2.68 2fawA1 ASN 86 HB3 -0.41 0.12 0.27 -0.04 2.79 2.73 2fawA1 ASN 86 HD21 -0.05 0.53 -0.02 -0.04 7.03 7.45 2fawA1 ASN 86 HD22 -0.36 0.26 0.09 -0.04 7.74 7.69 2fawA1 ILE 87 H -0.23 -0.01 -0.05 -0.55 8.25 7.41 2fawA1 ILE 87 HA -0.49 0.27 0.87 -0.75 4.18 4.08 2fawA1 ILE 87 HB -0.24 -0.06 0.09 -0.04 1.89 1.64 2fawA1 ILE 87 HG12 -1.07 0.09 -0.04 -0.04 1.49 0.42 2fawA1 ILE 87 HG13 -0.48 0.15 0.20 -0.04 1.21 1.04 2fawA1 ILE 87 HG23 -0.36 -0.02 -0.13 -0.04 0.93 0.37 2fawA1 ILE 87 HD13 -0.11 -0.03 -0.02 -0.04 0.88 0.69 2fawA1 GLY 88 H -1.09 0.86 0.38 -0.55 8.43 8.03 2fawA1 GLY 88 HA2 -0.85 0.22 0.90 -0.51 4.01 3.78 2fawA1 GLY 88 HA3 -2.86 -0.04 0.23 -0.51 4.01 0.84 2fawA1 PHE 89 H -0.26 0.81 0.34 -0.55 8.34 8.68 2fawA1 PHE 89 HA -0.36 0.18 1.12 -0.75 4.62 4.80 2fawA1 PHE 89 HB2 -0.15 -0.02 -0.01 -0.04 3.15 2.93 2fawA1 PHE 89 HB3 -0.80 0.02 -0.04 -0.04 3.06 2.20 2fawA1 PHE 89 HD2 -0.24 0.04 -0.13 -0.04 7.28 6.92 2fawA1 PHE 89 HE2 -0.49 -0.01 -0.16 -0.04 7.38 6.68 2fawA1 PHE 89 HZ -0.93 -0.02 -0.13 -0.04 7.32 6.20 2fawA1 ILE 90 H -0.22 0.82 0.44 -0.55 8.25 8.75 2fawA1 ILE 90 HA -0.24 0.45 1.16 -0.75 4.18 4.80 2fawA1 ILE 90 HB -0.17 -0.07 0.08 -0.04 1.89 1.69 2fawA1 ILE 90 HG12 -0.54 0.00 -0.20 -0.04 1.49 0.71 2fawA1 ILE 90 HG13 0.18 -0.12 -0.56 -0.04 1.21 0.67 2fawA1 ILE 90 HG23 -0.45 -0.01 -0.19 -0.04 0.93 0.23 2fawA1 ILE 90 HD13 0.11 -0.00 -0.29 -0.04 0.88 0.67 2fawA1 TYR 91 H -0.03 0.73 0.34 -0.55 8.29 8.77 2fawA1 TYR 91 HA -0.12 0.37 1.10 -0.75 4.56 5.16 2fawA1 TYR 91 HB2 -0.15 -0.12 -0.12 -0.04 3.06 2.62 2fawA1 TYR 91 HB3 -0.14 -0.00 -0.27 -0.04 2.98 2.53 2fawA1 TYR 91 HD2 -0.24 0.11 -0.52 -0.04 7.15 6.46 2fawA1 TYR 91 HE2 -0.76 0.02 -0.19 -0.04 6.85 5.87 2fawA1 ASP 92 H 0.01 0.41 0.24 -0.55 8.40 8.52 2fawA1 ASP 92 HA -0.04 0.23 0.84 -0.75 4.63 4.91 2fawA1 ASP 92 HB2 -0.01 0.13 0.17 -0.04 2.71 2.96 2fawA1 ASP 92 HB3 0.01 0.05 0.22 -0.04 2.70 2.94 2fawA1 ARG 93 H -0.08 0.59 0.29 -0.55 8.46 8.72 2fawA1 ARG 93 HA -0.29 0.08 0.21 -0.75 4.34 3.59 2fawA1 ARG 93 HB2 -0.48 -0.00 -0.07 -0.04 1.90 1.31 2fawA1 ARG 93 HB3 -0.34 -0.02 -0.17 -0.04 1.80 1.23 2fawA1 ARG 93 HG2 -0.06 0.32 0.16 -0.04 1.67 2.06 2fawA1 ARG 93 HG3 -0.00 -0.01 -0.13 -0.04 1.67 1.48 2fawA1 ARG 93 HD2 -0.05 -0.08 -0.10 -0.04 3.22 2.94 2fawA1 ARG 93 HD3 0.01 -0.00 -0.03 -0.04 3.22 3.16 2fawA1 ARG 94 H 0.00 0.02 -0.30 -0.55 8.46 7.63 2fawA1 ARG 94 HA 0.08 0.14 0.37 -0.75 4.34 4.18 2fawA1 ARG 94 HB2 0.03 -0.02 0.06 -0.04 1.90 1.93 2fawA1 ARG 94 HB3 0.02 -0.04 0.05 -0.04 1.80 1.79 2fawA1 ARG 94 HG2 0.03 0.05 -0.12 -0.04 1.67 1.59 2fawA1 ARG 94 HG3 0.03 0.01 0.01 -0.04 1.67 1.68 2fawA1 ARG 94 HD2 0.02 0.02 -0.03 -0.04 3.22 3.19 2fawA1 ARG 94 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.17 2fawA1 THR 95 H 0.03 -0.02 -0.13 -0.55 8.28 7.62 2fawA1 THR 95 HA 0.05 0.29 0.76 -0.75 4.39 4.73 2fawA1 THR 95 HB 0.05 0.07 0.05 -0.04 4.32 4.44 2fawA1 THR 95 HG23 0.03 0.00 -0.08 -0.04 1.22 1.13 2fawA1 LEU 96 H 0.05 0.34 -0.24 -0.55 8.37 7.97 2fawA1 LEU 96 HA 0.03 0.07 0.15 -0.75 4.35 3.85 2fawA1 LEU 96 HB2 0.09 0.23 -0.28 -0.04 1.64 1.64 2fawA1 LEU 96 HB3 -0.01 -0.07 0.01 -0.04 1.64 1.52 2fawA1 LEU 96 HG 0.10 0.06 -0.54 -0.04 1.64 1.22 2fawA1 LEU 96 HD13 0.07 -0.02 -0.50 -0.04 0.93 0.44 2fawA1 LEU 96 HD23 0.03 0.01 -0.21 -0.04 0.89 0.67 2fawA1 SER 97 H 0.08 -0.10 -0.37 -0.55 8.46 7.53 2fawA1 SER 97 HA 0.17 0.17 0.72 -0.75 4.49 4.80 2fawA1 SER 97 HB2 0.06 0.08 0.01 -0.04 3.95 4.05 2fawA1 SER 97 HB3 0.06 0.02 -0.02 -0.04 3.93 3.95 2fawA1 ASN 98 H 0.03 0.18 0.11 -0.55 8.53 8.30 2fawA1 ASN 98 HA -0.56 0.24 0.70 -0.75 4.76 4.38 2fawA1 ASN 98 HB2 -0.56 0.01 0.03 -0.04 2.88 2.31 2fawA1 ASN 98 HB3 -0.12 -0.03 0.19 -0.04 2.79 2.79 2fawA1 ASN 98 HD21 -0.08 0.03 -0.11 -0.04 7.03 6.83 2fawA1 ASN 98 HD22 -0.48 0.40 0.19 -0.04 7.74 7.81 2fawA1 ILE 99 H -0.19 0.50 0.41 -0.55 8.25 8.42 2fawA1 ILE 99 HA -0.04 0.11 0.53 -0.75 4.18 4.03 2fawA1 ILE 99 HB -0.03 0.00 0.03 -0.04 1.89 1.84 2fawA1 ILE 99 HG12 -0.10 -0.04 -0.17 -0.04 1.49 1.13 2fawA1 ILE 99 HG13 -0.10 0.08 -0.19 -0.04 1.21 0.96 2fawA1 ILE 99 HG23 -0.02 0.03 -0.07 -0.04 0.93 0.82 2fawA1 ILE 99 HD13 -0.05 -0.01 -0.15 -0.04 0.88 0.63 2fawA1 LYS 100 H -0.14 0.43 0.19 -0.55 8.42 8.35 2fawA1 LYS 100 HA -0.03 0.11 0.73 -0.75 4.32 4.37 2fawA1 LYS 100 HB2 -0.02 0.01 -0.38 -0.04 1.87 1.45 2fawA1 LYS 100 HB3 -0.04 -0.07 -0.11 -0.04 1.79 1.53 2fawA1 LYS 100 HG2 0.02 0.27 0.03 -0.04 1.46 1.73 2fawA1 LYS 100 HG3 0.02 -0.02 0.13 -0.04 1.46 1.54 2fawA1 LYS 100 HD2 0.08 -0.03 -0.01 -0.04 1.69 1.69 2fawA1 LYS 100 HD3 0.08 -0.07 -0.08 -0.04 1.68 1.57 2fawA1 LYS 100 HE2 0.35 -0.00 -0.05 -0.04 2.99 3.24 2fawA1 LYS 100 HE3 0.21 0.13 -0.06 -0.04 2.99 3.24 2fawA1 ASN 101 H -0.06 0.19 0.19 -0.55 8.53 8.31 2fawA1 ASN 101 HA -0.19 0.17 1.10 -0.75 4.76 5.08 2fawA1 ASN 101 HB2 -0.12 -0.06 0.05 -0.04 2.88 2.71 2fawA1 ASN 101 HB3 -0.33 0.13 0.23 -0.04 2.79 2.78 2fawA1 ASN 101 HD21 0.13 -0.02 -0.05 -0.04 7.03 7.05 2fawA1 ASN 101 HD22 -0.03 -0.00 -0.02 -0.04 7.74 7.65 2fawA1 PHE 102 H -0.69 0.58 0.30 -0.55 8.34 7.98 2fawA1 PHE 102 HA -0.50 0.17 0.53 -0.75 4.62 4.06 2fawA1 PHE 102 HB2 -1.79 0.08 0.10 -0.04 3.15 1.50 2fawA1 PHE 102 HB3 -1.76 0.08 -0.21 -0.04 3.06 1.13 2fawA1 PHE 102 HD2 -0.26 0.13 -0.52 -0.04 7.28 6.60 2fawA1 PHE 102 HE2 0.10 0.02 -0.29 -0.04 7.38 7.17 2fawA1 PHE 102 HZ 0.14 -0.02 -0.36 -0.04 7.32 7.04 2fawA1 THR 103 H -0.09 0.31 0.22 -0.55 8.28 8.18 2fawA1 THR 103 HA -0.36 0.32 0.99 -0.75 4.39 4.59 2fawA1 THR 103 HB -0.18 0.10 0.11 -0.04 4.32 4.31 2fawA1 THR 103 HG23 -0.17 -0.04 -0.15 -0.04 1.22 0.83 2fawA1 HIS 104 H -0.59 0.67 0.31 -0.55 8.41 8.26 2fawA1 HIS 104 HA 0.13 0.34 0.90 -0.75 4.63 5.24 2fawA1 HIS 104 HB2 0.05 -0.15 0.02 -0.04 3.26 3.15 2fawA1 HIS 104 HB3 0.31 0.05 -0.21 -0.04 3.20 3.31 2fawA1 HIS 104 HD2 -0.06 0.01 -0.42 -0.04 6.97 6.46 2fawA1 HIS 104 HE1 -0.03 -0.01 -0.47 -0.04 7.75 7.20 2fawA1 GLN 105 H 0.13 0.13 0.05 -0.55 8.47 8.23 2fawA1 GLN 105 HA -0.01 0.24 0.62 -0.75 4.36 4.45 2fawA1 GLN 105 HB2 0.06 -0.07 0.08 -0.04 2.15 2.19 2fawA1 GLN 105 HB3 0.04 0.02 0.14 -0.04 2.02 2.18 2fawA1 GLN 105 HG2 0.02 0.05 -0.10 -0.04 2.40 2.33 2fawA1 GLN 105 HG3 0.06 -0.02 -0.28 -0.04 2.39 2.10 2fawA1 GLN 105 HE21 0.04 -0.05 0.05 -0.04 6.97 6.97 2fawA1 GLN 105 HE22 0.03 0.04 -0.01 -0.04 7.69 7.71 2fawA1 MET 106 H 0.52 0.05 -0.33 -0.55 8.47 8.17 2fawA1 MET 106 HA -0.57 0.12 0.72 -0.75 4.52 4.04 2fawA1 MET 106 HB2 -0.24 0.23 -0.01 -0.04 2.15 2.09 2fawA1 MET 106 HB3 -0.49 -0.14 0.10 -0.04 2.03 1.46 2fawA1 MET 106 HG2 -1.97 0.01 -0.14 -0.04 2.63 0.48 2fawA1 MET 106 HG3 -0.43 -0.08 -0.11 -0.04 2.56 1.90 2fawA1 MET 106 HE3 -0.56 0.08 0.01 -0.04 2.10 1.58 2fawA1 LYS 107 H -0.03 0.05 0.15 -0.55 8.42 8.04 2fawA1 LYS 107 HA 0.03 0.18 0.56 -0.75 4.32 4.33 2fawA1 LYS 107 HB2 -0.00 -0.06 0.11 -0.04 1.87 1.88 2fawA1 LYS 107 HB3 0.02 0.04 0.09 -0.04 1.79 1.89 2fawA1 LYS 107 HG2 0.04 0.07 0.00 -0.04 1.46 1.53 2fawA1 LYS 107 HG3 0.09 -0.05 0.01 -0.04 1.46 1.46 2fawA1 LYS 107 HD2 0.05 -0.00 0.01 -0.04 1.69 1.70 2fawA1 LYS 107 HD3 0.02 -0.05 0.02 -0.04 1.68 1.64 2fawA1 LYS 107 HE2 0.02 0.02 0.02 -0.04 2.99 3.02 2fawA1 LYS 107 HE3 0.03 0.02 0.02 -0.04 2.99 3.02 2fawA1 ASP 108 H 0.03 0.17 -0.04 -0.55 8.40 8.01 2fawA1 ASP 108 HA 0.19 0.16 0.56 -0.75 4.63 4.79 2fawA1 ASP 108 HB2 0.13 0.11 -0.41 -0.04 2.71 2.50 2fawA1 ASP 108 HB3 0.07 0.02 -0.05 -0.04 2.70 2.70 2fawA1 GLY 109 H 0.39 0.17 0.22 -0.55 8.43 8.66 2fawA1 GLY 109 HA2 -0.01 0.15 1.00 -0.51 4.01 4.64 2fawA1 GLY 109 HA3 0.24 0.02 0.40 -0.51 4.01 4.16 2fawA1 TRP 110 H 0.31 0.67 0.21 -0.55 7.97 8.62 2fawA1 TRP 110 HA -0.00 0.18 0.91 -0.75 4.62 4.96 2fawA1 TRP 110 HB2 0.03 -0.08 -0.30 -0.04 3.23 2.84 2fawA1 TRP 110 HB3 -0.02 0.01 0.06 -0.04 3.23 3.24 2fawA1 TRP 110 HD1 0.12 -0.18 -1.00 -0.04 7.22 6.12 2fawA1 TRP 110 HE1 0.25 -0.04 -0.10 -0.04 10.20 10.27 2fawA1 TRP 110 HE3 -0.03 0.12 -0.14 -0.04 7.59 7.50 2fawA1 TRP 110 HZ2 -0.06 0.00 -0.02 -0.04 7.44 7.32 2fawA1 TRP 110 HZ3 0.17 0.05 -0.04 -0.04 7.13 7.27 2fawA1 TRP 110 HH2 0.07 0.04 0.02 -0.04 7.19 7.28 2fawA1 GLY 111 H 0.32 0.10 0.16 -0.55 8.43 8.46 2fawA1 GLY 111 HA2 0.15 0.12 0.54 -0.51 4.01 4.32 2fawA1 GLY 111 HA3 0.18 0.38 0.32 -0.51 4.01 4.38 2fawA1 LEU 112 H 0.14 0.22 0.40 -0.55 8.37 8.59 2fawA1 LEU 112 HA 0.15 0.44 1.02 -0.75 4.35 5.20 2fawA1 LEU 112 HB2 0.16 -0.11 -0.29 -0.04 1.64 1.36 2fawA1 LEU 112 HB3 0.14 0.02 -0.15 -0.04 1.64 1.60 2fawA1 LEU 112 HG 0.16 -0.05 -0.48 -0.04 1.64 1.23 2fawA1 LEU 112 HD13 0.32 0.05 -0.48 -0.04 0.93 0.77 2fawA1 LEU 112 HD23 0.11 0.02 0.01 -0.04 0.89 0.99 2fawA1 ALA 113 H 0.18 0.65 0.42 -0.55 8.40 9.10 2fawA1 ALA 113 HA 0.15 0.21 0.64 -0.75 4.34 4.59 2fawA1 ALA 113 HB3 0.20 -0.04 -0.13 -0.04 1.41 1.40 2fawA1 THR 114 H 0.17 0.31 0.35 -0.55 8.28 8.57 2fawA1 THR 114 HA -0.03 0.24 0.83 -0.75 4.39 4.67 2fawA1 THR 114 HB -0.08 0.10 -0.18 -0.04 4.32 4.13 2fawA1 THR 114 HG23 0.01 0.03 0.01 -0.04 1.22 1.24 2fawA1 ASP 115 H -0.25 0.30 0.21 -0.55 8.40 8.12 2fawA1 ASP 115 HA -1.48 0.21 0.88 -0.75 4.63 3.49 2fawA1 ASP 115 HB2 -0.67 0.05 0.18 -0.04 2.71 2.23 2fawA1 ASP 115 HB3 -0.68 0.04 0.03 -0.04 2.70 2.05 2fawA1 GLY 116 H -0.16 0.10 -0.20 -0.55 8.43 7.62 2fawA1 GLY 116 HA2 -0.06 0.02 0.34 -0.51 4.01 3.80 2fawA1 GLY 116 HA3 -0.06 0.19 0.70 -0.51 4.01 4.33 2fawA1 LYS 117 H -0.19 -0.19 -0.19 -0.55 8.42 7.30 2fawA1 LYS 117 HA -0.12 0.24 0.94 -0.75 4.32 4.63 2fawA1 LYS 117 HB2 -0.12 -0.07 0.01 -0.04 1.87 1.65 2fawA1 LYS 117 HB3 -0.11 0.02 -0.02 -0.04 1.79 1.64 2fawA1 LYS 117 HG2 -0.07 0.02 -0.01 -0.04 1.46 1.37 2fawA1 LYS 117 HG3 -0.07 0.05 -0.48 -0.04 1.46 0.93 2fawA1 LYS 117 HD2 -0.05 -0.01 -0.04 -0.04 1.69 1.56 2fawA1 LYS 117 HD3 -0.03 0.02 -0.05 -0.04 1.68 1.58 2fawA1 LYS 117 HE2 -0.08 -0.10 -0.07 -0.04 2.99 2.70 2fawA1 LYS 117 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.90 2fawA1 ILE 118 H -0.25 -0.10 0.19 -0.55 8.25 7.54 2fawA1 ILE 118 HA -0.27 0.27 1.04 -0.75 4.18 4.47 2fawA1 ILE 118 HB -0.30 0.13 0.08 -0.04 1.89 1.75 2fawA1 ILE 118 HG12 -0.29 -0.03 -0.02 -0.04 1.49 1.11 2fawA1 ILE 118 HG13 -0.70 -0.16 -0.28 -0.04 1.21 0.03 2fawA1 ILE 118 HG23 -0.17 -0.00 -0.14 -0.04 0.93 0.58 2fawA1 ILE 118 HD13 -0.49 0.05 -0.08 -0.04 0.88 0.32 2fawA1 LEU 119 H -0.32 0.86 0.39 -0.55 8.37 8.76 2fawA1 LEU 119 HA -0.24 0.24 1.09 -0.75 4.35 4.68 2fawA1 LEU 119 HB2 -0.21 -0.02 0.04 -0.04 1.64 1.41 2fawA1 LEU 119 HB3 -0.13 0.08 -0.02 -0.04 1.64 1.52 2fawA1 LEU 119 HG -0.47 -0.08 -0.17 -0.04 1.64 0.87 2fawA1 LEU 119 HD13 -0.49 0.01 -0.19 -0.04 0.93 0.23 2fawA1 LEU 119 HD23 -0.49 0.01 -0.12 -0.04 0.89 0.24 2fawA1 TYR 120 H 0.07 0.69 0.28 -0.55 8.29 8.78 2fawA1 TYR 120 HA 0.07 0.44 1.08 -0.75 4.56 5.41 2fawA1 TYR 120 HB2 0.07 -0.17 -0.07 -0.04 3.06 2.86 2fawA1 TYR 120 HB3 0.10 0.08 -0.10 -0.04 2.98 3.02 2fawA1 TYR 120 HD2 0.07 -0.00 -0.34 -0.04 7.15 6.84 2fawA1 TYR 120 HE2 -0.11 0.00 -0.18 -0.04 6.85 6.52 2fawA1 GLY 121 H 0.26 0.68 0.32 -0.55 8.43 9.15 2fawA1 GLY 121 HA2 0.14 0.43 1.12 -0.51 4.01 5.19 2fawA1 GLY 121 HA3 0.07 -0.03 0.27 -0.51 4.01 3.80 2fawA1 SER 122 H 0.15 0.66 0.41 -0.55 8.46 9.13 2fawA1 SER 122 HA 0.25 0.30 0.94 -0.75 4.49 5.22 2fawA1 SER 122 HB2 0.12 0.07 0.12 -0.04 3.95 4.22 2fawA1 SER 122 HB3 0.16 0.05 -0.07 -0.04 3.93 4.03 2fawA1 ASP 123 H -0.05 0.17 0.28 -0.55 8.40 8.25 2fawA1 ASP 123 HA -0.25 0.12 0.72 -0.75 4.63 4.47 2fawA1 ASP 123 HB2 -0.17 -0.00 0.22 -0.04 2.71 2.72 2fawA1 ASP 123 HB3 -0.15 0.24 0.06 -0.04 2.70 2.80 2fawA1 GLY 124 H -0.43 0.27 0.21 -0.55 8.43 7.93 2fawA1 GLY 124 HA2 -0.92 0.13 0.31 -0.51 4.01 3.01 2fawA1 GLY 124 HA3 -2.94 0.15 0.56 -0.51 4.01 1.27 2fawA1 THR 125 H -0.27 -0.08 -0.35 -0.55 8.28 7.02 2fawA1 THR 125 HA -0.08 0.25 0.86 -0.75 4.39 4.65 2fawA1 THR 125 HB -0.02 -0.03 0.24 -0.04 4.32 4.47 2fawA1 THR 125 HG23 -0.05 0.05 0.01 -0.04 1.22 1.19 2fawA1 SER 126 H -0.01 0.17 0.11 -0.55 8.46 8.19 2fawA1 SER 126 HA 0.03 0.59 0.78 -0.75 4.49 5.14 2fawA1 SER 126 HB2 0.05 0.18 0.14 -0.04 3.95 4.29 2fawA1 SER 126 HB3 0.06 -0.07 -0.39 -0.04 3.93 3.48 2fawA1 ILE 127 H -0.04 -0.10 -0.34 -0.55 8.25 7.21 2fawA1 ILE 127 HA -0.13 0.45 0.99 -0.75 4.18 4.73 2fawA1 ILE 127 HB -0.38 -0.12 0.07 -0.04 1.89 1.42 2fawA1 ILE 127 HG12 -0.14 0.09 -0.14 -0.04 1.49 1.26 2fawA1 ILE 127 HG13 -0.08 -0.18 -0.04 -0.04 1.21 0.87 2fawA1 ILE 127 HG23 -0.94 0.00 -0.31 -0.04 0.93 -0.36 2fawA1 ILE 127 HD13 -0.08 0.01 -0.04 -0.04 0.88 0.73 2fawA1 LEU 128 H -0.03 0.75 0.36 -0.55 8.37 8.90 2fawA1 LEU 128 HA 0.13 0.20 0.89 -0.75 4.35 4.82 2fawA1 LEU 128 HB2 0.05 0.04 0.01 -0.04 1.64 1.69 2fawA1 LEU 128 HB3 0.15 -0.06 0.17 -0.04 1.64 1.85 2fawA1 LEU 128 HG 0.33 0.00 -0.34 -0.04 1.64 1.59 2fawA1 LEU 128 HD13 0.15 0.04 -0.13 -0.04 0.93 0.95 2fawA1 LEU 128 HD23 -0.11 -0.01 -0.15 -0.04 0.89 0.58 2fawA1 TYR 129 H 0.39 0.86 0.32 -0.55 8.29 9.31 2fawA1 TYR 129 HA 0.05 0.17 0.86 -0.75 4.56 4.88 2fawA1 TYR 129 HB2 0.05 -0.09 0.05 -0.04 3.06 3.03 2fawA1 TYR 129 HB3 0.03 0.05 -0.11 -0.04 2.98 2.90 2fawA1 TYR 129 HD2 0.03 0.15 -0.11 -0.04 7.15 7.19 2fawA1 TYR 129 HE2 -0.01 -0.01 -0.01 -0.04 6.85 6.79 2fawA1 GLU 130 H 0.07 0.88 0.45 -0.55 8.60 9.45 2fawA1 GLU 130 HA -0.09 0.32 1.10 -0.75 4.29 4.86 2fawA1 GLU 130 HB2 -0.03 -0.17 0.26 -0.04 2.09 2.11 2fawA1 GLU 130 HB3 -0.11 -0.01 0.04 -0.04 1.99 1.87 2fawA1 GLU 130 HG2 0.28 0.02 -0.12 -0.04 2.34 2.48 2fawA1 GLU 130 HG3 0.13 0.03 -0.16 -0.04 2.34 2.30 2fawA1 ILE 131 H -0.17 0.98 0.33 -0.55 8.25 8.84 2fawA1 ILE 131 HA -0.02 0.21 0.99 -0.75 4.18 4.61 2fawA1 ILE 131 HB -0.08 -0.07 -0.11 -0.04 1.89 1.59 2fawA1 ILE 131 HG12 0.07 0.03 -0.32 -0.04 1.49 1.23 2fawA1 ILE 131 HG13 0.07 -0.11 -0.75 -0.04 1.21 0.39 2fawA1 ILE 131 HG23 0.05 0.06 -0.35 -0.04 0.93 0.64 2fawA1 ILE 131 HD13 0.04 0.00 -0.24 -0.04 0.88 0.64 2fawA1 ASP 132 H -0.10 0.80 0.19 -0.55 8.40 8.75 2fawA1 ASP 132 HA -0.21 0.13 0.66 -0.75 4.63 4.46 2fawA1 ASP 132 HB2 -0.10 0.15 0.10 -0.04 2.71 2.81 2fawA1 ASP 132 HB3 -0.16 -0.19 0.24 -0.04 2.70 2.55 2fawA1 PRO 133 HA -0.99 0.15 0.44 -0.51 4.44 3.53 2fawA1 PRO 133 HB2 -0.37 0.06 -0.03 -0.04 2.28 1.90 2fawA1 PRO 133 HB3 -0.58 -0.02 -0.03 -0.04 2.02 1.35 2fawA1 PRO 133 HG2 -0.23 0.02 -0.01 -0.04 2.03 1.77 2fawA1 PRO 133 HG3 -0.29 0.17 0.02 -0.04 2.03 1.90 2fawA1 PRO 133 HD2 -0.23 0.05 0.33 -0.04 3.68 3.79 2fawA1 PRO 133 HD3 -0.29 0.03 0.50 -0.04 3.65 3.85 2fawA1 HIS 134 H -0.29 -0.06 -0.32 -0.55 8.41 7.19 2fawA1 HIS 134 HA -0.26 0.26 0.85 -0.75 4.63 4.73 2fawA1 HIS 134 HB2 -0.16 0.03 0.03 -0.04 3.26 3.13 2fawA1 HIS 134 HB3 -0.17 -0.10 0.09 -0.04 3.20 2.98 2fawA1 HIS 134 HD2 -0.06 -0.03 -0.06 -0.04 6.97 6.77 2fawA1 HIS 134 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.70 2fawA1 THR 135 H -0.26 -0.06 0.01 -0.55 8.28 7.42 2fawA1 THR 135 HA -0.18 0.22 0.55 -0.75 4.39 4.22 2fawA1 THR 135 HB -0.05 0.07 0.07 -0.04 4.32 4.37 2fawA1 THR 135 HG23 -0.05 0.01 -0.00 -0.04 1.22 1.13 2fawA1 PHE 136 H -0.58 0.22 -0.10 -0.55 8.34 7.33 2fawA1 PHE 136 HA -0.07 0.16 0.29 -0.75 4.62 4.24 2fawA1 PHE 136 HB2 0.03 0.13 0.09 -0.04 3.15 3.36 2fawA1 PHE 136 HB3 0.10 0.20 0.27 -0.04 3.06 3.59 2fawA1 PHE 136 HD2 -0.21 0.01 -0.29 -0.04 7.28 6.75 2fawA1 PHE 136 HE2 -0.34 -0.02 -0.14 -0.04 7.38 6.83 2fawA1 PHE 136 HZ 0.12 -0.02 -0.13 -0.04 7.32 7.26 2fawA1 LYS 137 H -0.02 -0.12 -0.48 -0.55 8.42 7.24 2fawA1 LYS 137 HA 0.05 0.11 0.58 -0.75 4.32 4.31 2fawA1 LYS 137 HB2 -0.02 -0.15 -0.02 -0.04 1.87 1.64 2fawA1 LYS 137 HB3 0.00 0.19 -0.04 -0.04 1.79 1.91 2fawA1 LYS 137 HG2 0.01 0.04 0.01 -0.04 1.46 1.48 2fawA1 LYS 137 HG3 0.00 0.05 -0.07 -0.04 1.46 1.40 2fawA1 LYS 137 HD2 -0.01 0.02 -0.00 -0.04 1.69 1.66 2fawA1 LYS 137 HD3 -0.02 -0.09 -0.01 -0.04 1.68 1.53 2fawA1 LYS 137 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2fawA1 LYS 137 HE3 -0.01 0.08 -0.01 -0.04 2.99 3.01 2fawA1 LEU 138 H 0.05 0.14 0.13 -0.55 8.37 8.14 2fawA1 LEU 138 HA 0.05 0.17 0.75 -0.75 4.35 4.57 2fawA1 LEU 138 HB2 0.06 0.01 0.05 -0.04 1.64 1.71 2fawA1 LEU 138 HB3 0.09 0.00 -0.09 -0.04 1.64 1.60 2fawA1 LEU 138 HG 0.09 -0.01 0.05 -0.04 1.64 1.73 2fawA1 LEU 138 HD13 0.20 0.04 -0.06 -0.04 0.93 1.08 2fawA1 LEU 138 HD23 0.18 -0.02 -0.13 -0.04 0.89 0.88 2fawA1 ILE 139 H -0.01 0.78 0.33 -0.55 8.25 8.80 2fawA1 ILE 139 HA -0.03 0.13 0.76 -0.75 4.18 4.29 2fawA1 ILE 139 HB -0.06 -0.04 0.00 -0.04 1.89 1.76 2fawA1 ILE 139 HG12 -0.06 0.02 -0.06 -0.04 1.49 1.35 2fawA1 ILE 139 HG13 -0.07 -0.04 -0.19 -0.04 1.21 0.87 2fawA1 ILE 139 HG23 -0.04 -0.00 -0.11 -0.04 0.93 0.74 2fawA1 ILE 139 HD13 -0.13 -0.02 -0.21 -0.04 0.88 0.49 2fawA1 LYS 140 H -0.02 0.34 0.30 -0.55 8.42 8.48 2fawA1 LYS 140 HA -0.10 0.16 0.76 -0.75 4.32 4.40 2fawA1 LYS 140 HB2 -0.09 0.05 -0.43 -0.04 1.87 1.36 2fawA1 LYS 140 HB3 -0.17 -0.08 -0.09 -0.04 1.79 1.41 2fawA1 LYS 140 HG2 -0.66 0.01 -0.30 -0.04 1.46 0.47 2fawA1 LYS 140 HG3 -0.19 0.02 0.03 -0.04 1.46 1.28 2fawA1 LYS 140 HD2 -0.05 -0.02 -0.06 -0.04 1.69 1.51 2fawA1 LYS 140 HD3 -0.07 0.02 -0.10 -0.04 1.68 1.49 2fawA1 LYS 140 HE2 -0.11 -0.01 -0.03 -0.04 2.99 2.80 2fawA1 LYS 140 HE3 -0.04 -0.04 0.01 -0.04 2.99 2.89 2fawA1 LYS 141 H -0.16 0.29 0.15 -0.55 8.42 8.15 2fawA1 LYS 141 HA -0.23 0.19 0.87 -0.75 4.32 4.39 2fawA1 LYS 141 HB2 -0.13 0.01 0.08 -0.04 1.87 1.79 2fawA1 LYS 141 HB3 -0.27 0.01 -0.09 -0.04 1.79 1.40 2fawA1 LYS 141 HG2 -0.23 0.00 -0.04 -0.04 1.46 1.15 2fawA1 LYS 141 HG3 -0.01 -0.07 -0.33 -0.04 1.46 1.01 2fawA1 LYS 141 HD2 -0.10 -0.01 -0.06 -0.04 1.69 1.48 2fawA1 LYS 141 HD3 0.16 0.04 -0.07 -0.04 1.68 1.77 2fawA1 LYS 141 HE2 0.01 0.00 -0.08 -0.04 2.99 2.88 2fawA1 LYS 141 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.86 2fawA1 HIS 142 H -0.08 0.90 0.25 -0.55 8.41 8.93 2fawA1 HIS 142 HA -0.04 0.17 0.80 -0.75 4.63 4.81 2fawA1 HIS 142 HB2 -0.03 -0.06 0.17 -0.04 3.26 3.31 2fawA1 HIS 142 HB3 -0.02 0.03 -0.16 -0.04 3.20 3.01 2fawA1 HIS 142 HD2 0.11 0.02 -0.22 -0.04 6.97 6.83 2fawA1 HIS 142 HE1 0.04 0.34 -0.44 -0.04 7.75 7.64 2fawA1 ASN 143 H 0.03 0.24 0.03 -0.55 8.53 8.28 2fawA1 ASN 143 HA -0.02 0.10 0.75 -0.75 4.76 4.83 2fawA1 ASN 143 HB2 0.00 0.01 0.14 -0.04 2.88 3.00 2fawA1 ASN 143 HB3 0.00 0.02 -0.05 -0.04 2.79 2.73 2fawA1 ASN 143 HD21 -0.04 0.00 -0.08 -0.04 7.03 6.88 2fawA1 ASN 143 HD22 -0.02 0.03 0.00 -0.04 7.74 7.71 2fawA1 VAL 144 H 0.01 0.90 0.33 -0.55 8.24 8.93 2fawA1 VAL 144 HA 0.02 0.23 0.61 -0.75 4.13 4.23 2fawA1 VAL 144 HB 0.03 0.07 0.22 -0.04 2.12 2.40 2fawA1 VAL 144 HG13 -0.03 0.01 -0.09 -0.04 0.97 0.81 2fawA1 VAL 144 HG23 -0.01 0.01 -0.02 -0.04 0.95 0.89 2fawA1 LYS 145 H 0.05 0.30 0.32 -0.55 8.42 8.54 2fawA1 LYS 145 HA 0.14 0.32 0.96 -0.75 4.32 4.98 2fawA1 LYS 145 HB2 0.04 -0.01 -0.03 -0.04 1.87 1.84 2fawA1 LYS 145 HB3 0.05 -0.15 -0.24 -0.04 1.79 1.41 2fawA1 LYS 145 HG2 0.06 0.02 -0.43 -0.04 1.46 1.07 2fawA1 LYS 145 HG3 0.04 0.01 -0.69 -0.04 1.46 0.78 2fawA1 LYS 145 HD2 0.01 -0.01 -0.15 -0.04 1.69 1.50 2fawA1 LYS 145 HD3 0.01 -0.05 -0.13 -0.04 1.68 1.46 2fawA1 LYS 145 HE2 -0.01 -0.04 -0.07 -0.04 2.99 2.82 2fawA1 LYS 145 HE3 -0.01 0.08 -0.31 -0.04 2.99 2.72 2fawA1 TYR 146 H 0.28 0.98 0.18 -0.55 8.29 9.18 2fawA1 TYR 146 HA 0.14 0.12 0.81 -0.75 4.56 4.89 2fawA1 TYR 146 HB2 0.40 0.05 -0.09 -0.04 3.06 3.37 2fawA1 TYR 146 HB3 0.39 0.07 -0.02 -0.04 2.98 3.38 2fawA1 TYR 146 HD2 0.23 0.06 -0.07 -0.04 7.15 7.33 2fawA1 TYR 146 HE2 0.14 -0.04 -0.09 -0.04 6.85 6.82 2fawA1 ASN 147 H -0.30 0.21 0.10 -0.55 8.53 8.00 2fawA1 ASN 147 HA -0.23 0.06 0.34 -0.75 4.76 4.18 2fawA1 ASN 147 HB2 -0.39 0.09 -0.20 -0.04 2.88 2.34 2fawA1 ASN 147 HB3 -0.14 0.02 0.25 -0.04 2.79 2.88 2fawA1 ASN 147 HD21 -0.11 0.03 0.01 -0.04 7.03 6.92 2fawA1 ASN 147 HD22 -0.12 -0.07 0.01 -0.04 7.74 7.53 2fawA1 GLY 148 H -0.07 0.05 -0.39 -0.55 8.43 7.46 2fawA1 GLY 148 HA2 -0.08 -0.01 0.22 -0.51 4.01 3.63 2fawA1 GLY 148 HA3 -0.20 0.13 0.43 -0.51 4.01 3.86 2fawA1 HIS 149 H 0.02 0.58 -0.56 -0.55 8.41 7.91 2fawA1 HIS 149 HA 0.04 0.06 0.59 -0.75 4.63 4.57 2fawA1 HIS 149 HB2 0.16 0.08 0.08 -0.04 3.26 3.54 2fawA1 HIS 149 HB3 0.09 0.12 -0.00 -0.04 3.20 3.37 2fawA1 HIS 149 HD2 0.01 -0.04 0.05 -0.04 6.97 6.94 2fawA1 HIS 149 HE1 0.00 -0.05 -0.00 -0.04 7.75 7.65 2fawA1 ARG 150 H 0.14 0.12 0.18 -0.55 8.46 8.35 2fawA1 ARG 150 HA 0.10 0.21 0.65 -0.75 4.34 4.55 2fawA1 ARG 150 HB2 0.10 -0.00 0.15 -0.04 1.90 2.10 2fawA1 ARG 150 HB3 0.08 -0.06 -0.04 -0.04 1.80 1.74 2fawA1 ARG 150 HG2 0.05 0.03 0.01 -0.04 1.67 1.72 2fawA1 ARG 150 HG3 0.06 0.02 0.07 -0.04 1.67 1.78 2fawA1 ARG 150 HD2 0.04 -0.08 0.02 -0.04 3.22 3.16 2fawA1 ARG 150 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 2fawA1 VAL 151 H 0.13 0.78 0.18 -0.55 8.24 8.78 2fawA1 VAL 151 HA 0.25 0.19 0.80 -0.75 4.13 4.61 2fawA1 VAL 151 HB 0.11 -0.05 0.04 -0.04 2.12 2.18 2fawA1 VAL 151 HG13 0.28 0.01 -0.14 -0.04 0.97 1.08 2fawA1 VAL 151 HG23 0.34 -0.01 -0.31 -0.04 0.95 0.93 2fawA1 ILE 152 H 0.13 0.30 -0.25 -0.55 8.25 7.88 2fawA1 ILE 152 HA 0.05 -0.03 -0.08 -0.75 4.18 3.37 2fawA1 ILE 152 HB 0.06 0.06 0.12 -0.04 1.89 2.09 2fawA1 ILE 152 HG12 0.09 0.05 -0.02 -0.04 1.49 1.57 2fawA1 ILE 152 HG13 0.13 0.06 -0.32 -0.04 1.21 1.04 2fawA1 ILE 152 HG23 0.06 -0.04 -0.08 -0.04 0.93 0.83 2fawA1 ILE 152 HD13 0.12 0.01 -0.04 -0.04 0.88 0.93 2fawA1 ARG 153 H -0.00 0.65 0.03 -0.55 8.46 8.58 2fawA1 ARG 153 HA 0.16 -0.01 0.39 -0.75 4.34 4.13 2fawA1 ARG 153 HB2 0.27 0.26 -0.36 -0.04 1.90 2.03 2fawA1 ARG 153 HB3 0.57 -0.19 0.24 -0.04 1.80 2.38 2fawA1 ARG 153 HG2 0.84 -0.07 0.06 -0.04 1.67 2.47 2fawA1 ARG 153 HG3 0.29 -0.03 -0.04 -0.04 1.67 1.85 2fawA1 ARG 153 HD2 0.19 0.04 -0.14 -0.04 3.22 3.27 2fawA1 ARG 153 HD3 0.30 0.22 -0.05 -0.04 3.22 3.65 2fawA1 LEU 154 H 0.08 0.28 -0.31 -0.55 8.37 7.87 2fawA1 LEU 154 HA 0.19 0.16 0.45 -0.75 4.35 4.40 2fawA1 LEU 154 HB2 0.08 -0.23 0.12 -0.04 1.64 1.57 2fawA1 LEU 154 HB3 0.11 -0.01 -0.07 -0.04 1.64 1.64 2fawA1 LEU 154 HG 0.07 0.23 0.03 -0.04 1.64 1.93 2fawA1 LEU 154 HD13 0.04 -0.01 -0.32 -0.04 0.93 0.60 2fawA1 LEU 154 HD23 0.06 -0.00 -0.12 -0.04 0.89 0.79 2fawA1 ASN 155 H 0.25 0.75 0.25 -0.55 8.53 9.23 2fawA1 ASN 155 HA 0.61 0.06 0.88 -0.75 4.76 5.55 2fawA1 ASN 155 HB2 0.42 0.13 -0.01 -0.04 2.88 3.38 2fawA1 ASN 155 HB3 0.18 -0.17 0.19 -0.04 2.79 2.95 2fawA1 ASN 155 HD21 -0.75 0.03 0.02 -0.04 7.03 6.30 2fawA1 ASN 155 HD22 0.04 0.00 0.04 -0.04 7.74 7.78 2fawA1 GLU 156 H 0.08 0.13 0.16 -0.55 8.60 8.42 2fawA1 GLU 156 HA 0.10 0.05 0.49 -0.75 4.29 4.18 2fawA1 GLU 156 HB2 -0.00 0.06 0.09 -0.04 2.09 2.19 2fawA1 GLU 156 HB3 0.05 -0.18 0.05 -0.04 1.99 1.86 2fawA1 GLU 156 HG2 0.05 0.26 0.08 -0.04 2.34 2.69 2fawA1 GLU 156 HG3 -0.00 -0.02 -0.31 -0.04 2.34 1.97 2fawA1 LEU 157 H 0.12 0.17 0.42 -0.55 8.37 8.53 2fawA1 LEU 157 HA 0.12 0.43 1.14 -0.75 4.35 5.28 2fawA1 LEU 157 HB2 0.14 0.03 -0.47 -0.04 1.64 1.31 2fawA1 LEU 157 HB3 0.11 -0.07 -0.20 -0.04 1.64 1.44 2fawA1 LEU 157 HG 0.16 0.01 -0.21 -0.04 1.64 1.56 2fawA1 LEU 157 HD13 0.18 -0.01 -0.61 -0.04 0.93 0.45 2fawA1 LEU 157 HD23 0.12 0.02 -0.35 -0.04 0.89 0.64 2fawA1 GLU 158 H 0.08 0.64 0.34 -0.55 8.60 9.12 2fawA1 GLU 158 HA 0.09 0.11 0.79 -0.75 4.29 4.53 2fawA1 GLU 158 HB2 0.08 0.21 -0.21 -0.04 2.09 2.13 2fawA1 GLU 158 HB3 -0.07 -0.10 -0.06 -0.04 1.99 1.72 2fawA1 GLU 158 HG2 0.04 -0.12 -0.35 -0.04 2.34 1.86 2fawA1 GLU 158 HG3 -0.05 0.10 -0.24 -0.04 2.34 2.12 2fawA1 TYR 159 H 0.16 0.14 0.30 -0.55 8.29 8.33 2fawA1 TYR 159 HA -0.26 0.33 0.96 -0.75 4.56 4.83 2fawA1 TYR 159 HB2 -0.00 -0.15 -0.04 -0.04 3.06 2.83 2fawA1 TYR 159 HB3 0.03 0.17 0.36 -0.04 2.98 3.49 2fawA1 TYR 159 HD2 -0.19 0.02 -0.17 -0.04 7.15 6.77 2fawA1 TYR 159 HE2 0.00 0.07 -0.07 -0.04 6.85 6.81 2fawA1 ILE 160 H -0.92 0.89 0.26 -0.55 8.25 7.93 2fawA1 ILE 160 HA -1.19 0.11 0.89 -0.75 4.18 3.23 2fawA1 ILE 160 HB -1.92 0.01 -0.00 -0.04 1.89 -0.07 2fawA1 ILE 160 HG12 -0.98 0.08 -0.32 -0.04 1.49 0.23 2fawA1 ILE 160 HG13 -1.04 0.01 -0.68 -0.04 1.21 -0.54 2fawA1 ILE 160 HG23 -2.50 0.01 -0.17 -0.04 0.93 -1.78 2fawA1 ILE 160 HD13 -1.78 0.00 -0.21 -0.04 0.88 -1.15 2fawA1 ASN 161 H -0.49 0.20 0.10 -0.55 8.53 7.78 2fawA1 ASN 161 HA -0.19 0.06 0.36 -0.75 4.76 4.24 2fawA1 ASN 161 HB2 -0.47 0.12 -0.31 -0.04 2.88 2.17 2fawA1 ASN 161 HB3 -0.21 0.05 0.17 -0.04 2.79 2.76 2fawA1 ASN 161 HD21 -0.14 0.04 -0.05 -0.04 7.03 6.84 2fawA1 ASN 161 HD22 -0.45 0.03 -0.11 -0.04 7.74 7.17 2fawA1 GLY 162 H -1.09 0.07 -0.20 -0.55 8.43 6.66 2fawA1 GLY 162 HA2 0.01 -0.02 0.28 -0.51 4.01 3.77 2fawA1 GLY 162 HA3 -0.12 0.15 0.42 -0.51 4.01 3.95 2fawA1 GLU 163 H -0.64 0.53 -0.54 -0.55 8.60 7.41 2fawA1 GLU 163 HA -0.20 0.11 1.05 -0.75 4.29 4.50 2fawA1 GLU 163 HB2 -0.09 0.09 -0.03 -0.04 2.09 2.02 2fawA1 GLU 163 HB3 0.07 -0.04 -0.12 -0.04 1.99 1.86 2fawA1 GLU 163 HG2 -0.10 -0.07 -0.20 -0.04 2.34 1.93 2fawA1 GLU 163 HG3 -0.16 0.13 -0.20 -0.04 2.34 2.06 2fawA1 VAL 164 H -0.15 0.84 0.25 -0.55 8.24 8.63 2fawA1 VAL 164 HA -0.17 0.16 0.93 -0.75 4.13 4.29 2fawA1 VAL 164 HB -0.22 0.03 -0.01 -0.04 2.12 1.88 2fawA1 VAL 164 HG13 -0.03 -0.01 -0.33 -0.04 0.97 0.55 2fawA1 VAL 164 HG23 -0.78 -0.03 -0.26 -0.04 0.95 -0.16 2fawA1 TRP 165 H 0.06 0.88 0.33 -0.55 7.97 8.70 2fawA1 TRP 165 HA -0.19 0.45 1.06 -0.75 4.62 5.18 2fawA1 TRP 165 HB2 -0.13 -0.02 0.08 -0.04 3.23 3.12 2fawA1 TRP 165 HB3 -0.12 -0.01 -0.15 -0.04 3.23 2.91 2fawA1 TRP 165 HD1 -0.30 -0.16 -0.70 -0.04 7.22 6.02 2fawA1 TRP 165 HE1 -0.38 0.03 -0.16 -0.04 10.20 9.65 2fawA1 TRP 165 HE3 -0.12 -0.00 -0.21 -0.04 7.59 7.22 2fawA1 TRP 165 HZ2 -0.45 0.02 -0.15 -0.04 7.44 6.82 2fawA1 TRP 165 HZ3 -0.14 -0.00 -0.19 -0.04 7.13 6.75 2fawA1 TRP 165 HH2 -0.32 -0.01 -0.14 -0.04 7.19 6.67 2fawA1 ALA 166 H -0.01 0.65 0.28 -0.55 8.40 8.78 2fawA1 ALA 166 HA 0.12 0.38 1.03 -0.75 4.34 5.12 2fawA1 ALA 166 HB3 0.06 -0.03 -0.10 -0.04 1.41 1.30 2fawA1 ASN 167 H 0.12 0.51 0.16 -0.55 8.53 8.77 2fawA1 ASN 167 HA 0.11 0.18 0.78 -0.75 4.76 5.07 2fawA1 ASN 167 HB2 0.11 -0.25 0.18 -0.04 2.88 2.87 2fawA1 ASN 167 HB3 0.11 0.23 -0.06 -0.04 2.79 3.03 2fawA1 ASN 167 HD21 -0.02 0.01 -0.27 -0.04 7.03 6.71 2fawA1 ASN 167 HD22 0.03 0.19 -0.19 -0.04 7.74 7.73 2fawA1 ILE 168 H 0.18 0.54 0.25 -0.55 8.25 8.67 2fawA1 ILE 168 HA 0.28 0.26 0.81 -0.75 4.18 4.78 2fawA1 ILE 168 HB 0.21 -0.12 0.14 -0.04 1.89 2.07 2fawA1 ILE 168 HG12 0.37 -0.10 -0.19 -0.04 1.49 1.52 2fawA1 ILE 168 HG13 0.62 0.01 -0.12 -0.04 1.21 1.68 2fawA1 ILE 168 HG23 0.20 0.17 -0.10 -0.04 0.93 1.15 2fawA1 ILE 168 HD13 0.20 0.05 -0.31 -0.04 0.88 0.77 2fawA1 TRP 169 H 0.54 0.73 0.20 -0.55 7.97 8.89 2fawA1 TRP 169 HA 0.04 -0.04 0.39 -0.75 4.62 4.26 2fawA1 TRP 169 HB2 0.29 -0.01 0.12 -0.04 3.23 3.59 2fawA1 TRP 169 HB3 0.34 0.00 0.14 -0.04 3.23 3.67 2fawA1 TRP 169 HD1 -0.11 0.00 0.11 -0.04 7.22 7.18 2fawA1 TRP 169 HE1 -0.13 -0.02 0.04 -0.04 10.20 10.04 2fawA1 TRP 169 HE3 0.46 0.00 -0.02 -0.04 7.59 7.99 2fawA1 TRP 169 HZ2 -0.06 -0.01 0.00 -0.04 7.44 7.33 2fawA1 TRP 169 HZ3 0.27 -0.01 -0.01 -0.04 7.13 7.34 2fawA1 TRP 169 HH2 0.07 -0.01 -0.01 -0.04 7.19 7.21 2fawA1 GLN 170 H -0.13 0.11 0.29 -0.55 8.47 8.20 2fawA1 GLN 170 HA -0.32 -0.05 0.37 -0.75 4.36 3.61 2fawA1 GLN 170 HB2 -0.50 0.33 0.04 -0.04 2.15 1.98 2fawA1 GLN 170 HB3 -0.39 -0.02 0.22 -0.04 2.02 1.79 2fawA1 GLN 170 HG2 -0.98 -0.03 0.04 -0.04 2.40 1.39 2fawA1 GLN 170 HG3 -2.90 -0.08 -0.25 -0.04 2.39 -0.87 2fawA1 GLN 170 HE21 -0.61 -0.01 -0.02 -0.04 6.97 6.29 2fawA1 GLN 170 HE22 -2.98 -0.03 -0.06 -0.04 7.69 4.58 2fawA1 THR 171 H 0.01 0.44 0.08 -0.55 8.28 8.27 2fawA1 THR 171 HA -0.03 0.23 0.85 -0.75 4.39 4.69 2fawA1 THR 171 HB -0.02 0.09 0.31 -0.04 4.32 4.66 2fawA1 THR 171 HG23 -0.01 0.13 -0.30 -0.04 1.22 1.00 2fawA1 ASP 172 H 0.03 0.25 0.12 -0.55 8.40 8.25 2fawA1 ASP 172 HA 0.09 0.21 0.86 -0.75 4.63 5.03 2fawA1 ASP 172 HB2 0.05 0.03 0.09 -0.04 2.71 2.83 2fawA1 ASP 172 HB3 0.08 -0.15 -0.21 -0.04 2.70 2.39 2fawA1 CYS 173 H 0.08 0.25 -0.32 -0.55 8.50 7.96 2fawA1 CYS 173 HA 0.11 0.33 1.22 -0.75 4.58 5.47 2fawA1 CYS 173 HB2 0.16 0.06 0.01 -0.04 2.97 3.16 2fawA1 CYS 173 HB3 0.33 0.02 -0.04 -0.04 2.97 3.23 2fawA1 ILE 174 H 0.13 0.76 0.37 -0.55 8.25 8.96 2fawA1 ILE 174 HA 0.08 0.32 0.98 -0.75 4.18 4.81 2fawA1 ILE 174 HB -0.12 -0.07 -0.04 -0.04 1.89 1.62 2fawA1 ILE 174 HG12 0.08 -0.01 -0.25 -0.04 1.49 1.27 2fawA1 ILE 174 HG13 0.06 -0.02 -0.66 -0.04 1.21 0.55 2fawA1 ILE 174 HG23 -0.09 -0.01 -0.45 -0.04 0.93 0.34 2fawA1 ILE 174 HD13 0.11 -0.01 -0.26 -0.04 0.88 0.68 2fawA1 ALA 175 H -0.07 0.80 0.25 -0.55 8.40 8.82 2fawA1 ALA 175 HA -1.14 0.14 0.85 -0.75 4.34 3.44 2fawA1 ALA 175 HB3 -0.55 0.01 0.02 -0.04 1.41 0.85 2fawA1 ARG 176 H -0.74 0.96 0.37 -0.55 8.46 8.51 2fawA1 ARG 176 HA -0.48 0.11 0.85 -0.75 4.34 4.06 2fawA1 ARG 176 HB2 -0.46 -0.04 0.10 -0.04 1.90 1.46 2fawA1 ARG 176 HB3 -0.38 -0.02 -0.11 -0.04 1.80 1.25 2fawA1 ARG 176 HG2 -2.51 -0.02 -0.21 -0.04 1.67 -1.11 2fawA1 ARG 176 HG3 -1.01 0.04 -0.32 -0.04 1.67 0.33 2fawA1 ARG 176 HD2 -1.28 -0.03 -0.28 -0.04 3.22 1.60 2fawA1 ARG 176 HD3 -0.54 -0.00 -0.29 -0.04 3.22 2.34 2fawA1 ILE 177 H -0.10 0.66 0.18 -0.55 8.25 8.45 2fawA1 ILE 177 HA -0.21 0.27 0.98 -0.75 4.18 4.46 2fawA1 ILE 177 HB -0.14 0.02 0.08 -0.04 1.89 1.80 2fawA1 ILE 177 HG12 -0.20 0.04 -0.20 -0.04 1.49 1.09 2fawA1 ILE 177 HG13 -0.26 -0.13 -0.58 -0.04 1.21 0.21 2fawA1 ILE 177 HG23 -0.16 0.07 -0.23 -0.04 0.93 0.57 2fawA1 ILE 177 HD13 -0.07 0.00 -0.15 -0.04 0.88 0.61 2fawA1 SER 178 H -0.15 0.88 0.23 -0.55 8.46 8.88 2fawA1 SER 178 HA -0.13 0.13 0.67 -0.75 4.49 4.41 2fawA1 SER 178 HB2 -0.09 0.18 0.15 -0.04 3.95 4.16 2fawA1 SER 178 HB3 -0.12 -0.22 0.22 -0.04 3.93 3.77 2fawA1 ALA 179 H -0.12 0.51 0.37 -0.55 8.40 8.61 2fawA1 ALA 179 HA -0.23 0.10 0.51 -0.75 4.34 3.96 2fawA1 ALA 179 HB3 0.07 0.01 0.01 -0.04 1.41 1.46 2fawA1 LYS 180 H -0.07 -0.05 -0.25 -0.55 8.42 7.49 2fawA1 LYS 180 HA 0.08 0.17 0.58 -0.75 4.32 4.39 2fawA1 LYS 180 HB2 0.01 0.03 0.07 -0.04 1.87 1.94 2fawA1 LYS 180 HB3 -0.01 -0.10 0.12 -0.04 1.79 1.75 2fawA1 LYS 180 HG2 0.04 0.04 -0.23 -0.04 1.46 1.27 2fawA1 LYS 180 HG3 0.03 0.02 0.00 -0.04 1.46 1.48 2fawA1 LYS 180 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.59 2fawA1 LYS 180 HD3 0.01 0.03 -0.03 -0.04 1.68 1.65 2fawA1 LYS 180 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 2fawA1 LYS 180 HE3 -0.01 -0.05 0.02 -0.04 2.99 2.91 2fawA1 ASP 181 H -0.07 -0.08 -0.03 -0.55 8.40 7.67 2fawA1 ASP 181 HA 0.23 0.28 0.79 -0.75 4.63 5.18 2fawA1 ASP 181 HB2 0.05 0.05 0.16 -0.04 2.71 2.93 2fawA1 ASP 181 HB3 0.05 0.09 -0.11 -0.04 2.70 2.69 2fawA1 GLY 182 H -0.37 0.33 -0.06 -0.55 8.43 7.79 2fawA1 GLY 182 HA2 -0.28 0.14 0.26 -0.51 4.01 3.62 2fawA1 GLY 182 HA3 -0.02 0.02 0.18 -0.51 4.01 3.69 2fawA1 THR 183 H -0.07 -0.15 -0.47 -0.55 8.28 7.04 2fawA1 THR 183 HA -0.02 0.11 0.50 -0.75 4.39 4.23 2fawA1 THR 183 HB -0.05 -0.15 0.06 -0.04 4.32 4.13 2fawA1 THR 183 HG23 -0.02 0.04 -0.19 -0.04 1.22 1.02 2fawA1 LEU 184 H -0.01 0.24 0.30 -0.55 8.37 8.35 2fawA1 LEU 184 HA -0.25 0.13 0.79 -0.75 4.35 4.26 2fawA1 LEU 184 HB2 0.04 0.25 0.24 -0.04 1.64 2.12 2fawA1 LEU 184 HB3 0.13 -0.07 0.27 -0.04 1.64 1.93 2fawA1 LEU 184 HG -0.21 -0.05 -0.07 -0.04 1.64 1.27 2fawA1 LEU 184 HD13 -1.24 -0.02 -0.18 -0.04 0.93 -0.55 2fawA1 LEU 184 HD23 -0.65 0.01 -0.07 -0.04 0.89 0.13 2fawA1 LEU 185 H -0.23 0.68 0.42 -0.55 8.37 8.70 2fawA1 LEU 185 HA -0.07 0.04 0.41 -0.75 4.35 3.98 2fawA1 LEU 185 HB2 -0.17 0.02 -0.13 -0.04 1.64 1.32 2fawA1 LEU 185 HB3 -0.08 -0.02 -0.03 -0.04 1.64 1.47 2fawA1 LEU 185 HG -0.11 0.01 -0.03 -0.04 1.64 1.47 2fawA1 LEU 185 HD13 -0.09 -0.03 -0.16 -0.04 0.93 0.62 2fawA1 LEU 185 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.72 2fawA1 GLY 186 H -0.40 0.27 0.07 -0.55 8.43 7.83 2fawA1 GLY 186 HA2 -0.04 0.45 0.64 -0.51 4.01 4.56 2fawA1 GLY 186 HA3 0.03 -0.04 0.18 -0.51 4.01 3.66 2fawA1 TRP 187 H 0.14 0.73 0.43 -0.55 7.97 8.72 2fawA1 TRP 187 HA -0.18 0.21 1.07 -0.75 4.62 4.96 2fawA1 TRP 187 HB2 -0.13 0.02 0.20 -0.04 3.23 3.28 2fawA1 TRP 187 HB3 -0.11 -0.01 -0.09 -0.04 3.23 2.97 2fawA1 TRP 187 HD1 -0.41 0.08 -0.09 -0.04 7.22 6.76 2fawA1 TRP 187 HE1 -2.07 -0.04 -0.11 -0.04 10.20 7.93 2fawA1 TRP 187 HE3 -0.13 0.05 -0.18 -0.04 7.59 7.30 2fawA1 TRP 187 HZ2 -0.16 -0.00 -0.17 -0.04 7.44 7.08 2fawA1 TRP 187 HZ3 -0.07 0.02 -0.28 -0.04 7.13 6.77 2fawA1 TRP 187 HH2 -0.05 0.11 -0.16 -0.04 7.19 7.05 2fawA1 ILE 188 H 0.05 0.94 0.36 -0.55 8.25 9.05 2fawA1 ILE 188 HA 0.08 0.18 1.02 -0.75 4.18 4.70 2fawA1 ILE 188 HB -0.17 -0.09 0.05 -0.04 1.89 1.63 2fawA1 ILE 188 HG12 -0.58 0.01 -0.26 -0.04 1.49 0.61 2fawA1 ILE 188 HG13 -0.58 0.01 -0.33 -0.04 1.21 0.27 2fawA1 ILE 188 HG23 -0.06 0.00 -0.32 -0.04 0.93 0.51 2fawA1 ILE 188 HD13 -1.45 -0.01 -0.24 -0.04 0.88 -0.86 2fawA1 LEU 189 H 0.08 0.91 0.40 -0.55 8.37 9.21 2fawA1 LEU 189 HA 0.07 0.14 0.88 -0.75 4.35 4.68 2fawA1 LEU 189 HB2 0.05 -0.01 0.24 -0.04 1.64 1.87 2fawA1 LEU 189 HB3 0.05 -0.03 0.08 -0.04 1.64 1.70 2fawA1 LEU 189 HG 0.08 0.07 -0.08 -0.04 1.64 1.67 2fawA1 LEU 189 HD13 0.07 -0.01 -0.06 -0.04 0.93 0.88 2fawA1 LEU 189 HD23 0.06 0.01 -0.19 -0.04 0.89 0.72 2fawA1 LEU 190 H 0.06 0.90 0.32 -0.55 8.37 9.09 2fawA1 LEU 190 HA 0.04 0.13 0.97 -0.75 4.35 4.73 2fawA1 LEU 190 HB2 0.08 0.10 0.04 -0.04 1.64 1.82 2fawA1 LEU 190 HB3 0.06 -0.09 0.11 -0.04 1.64 1.68 2fawA1 LEU 190 HG 0.04 0.05 -0.49 -0.04 1.64 1.20 2fawA1 LEU 190 HD13 0.04 0.00 -0.43 -0.04 0.93 0.51 2fawA1 LEU 190 HD23 0.08 -0.00 -0.21 -0.04 0.89 0.72 2fawA1 PRO 191 HA 0.04 0.08 0.33 -0.51 4.44 4.39 2fawA1 PRO 191 HB2 -0.01 0.07 0.01 -0.04 2.28 2.31 2fawA1 PRO 191 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 2fawA1 PRO 191 HG2 -0.00 0.03 0.02 -0.04 2.03 2.04 2fawA1 PRO 191 HG3 -0.01 0.09 0.02 -0.04 2.03 2.10 2fawA1 PRO 191 HD2 0.02 0.21 -0.26 -0.04 3.68 3.61 2fawA1 PRO 191 HD3 0.03 0.07 0.02 -0.04 3.65 3.73 2fawA1 ASN 192 H -0.00 0.14 -0.38 -0.55 8.53 7.74 2fawA1 ASN 192 HA -0.03 0.07 0.30 -0.75 4.76 4.34 2fawA1 ASN 192 HB2 -0.04 0.04 0.01 -0.04 2.88 2.85 2fawA1 ASN 192 HB3 -0.02 0.03 0.07 -0.04 2.79 2.82 2fawA1 ASN 192 HD21 0.00 0.25 0.02 -0.04 7.03 7.26 2fawA1 ASN 192 HD22 -0.02 -0.04 -0.01 -0.04 7.74 7.63 2fawA1 LEU 193 H -0.05 0.39 -0.35 -0.55 8.37 7.81 2fawA1 LEU 193 HA -0.44 0.07 0.27 -0.75 4.35 3.50 2fawA1 LEU 193 HB2 0.21 0.04 0.10 -0.04 1.64 1.95 2fawA1 LEU 193 HB3 -0.34 0.04 -0.07 -0.04 1.64 1.22 2fawA1 LEU 193 HG -0.09 -0.04 -0.00 -0.04 1.64 1.47 2fawA1 LEU 193 HD13 0.03 0.01 -0.12 -0.04 0.93 0.81 2fawA1 LEU 193 HD23 -0.71 -0.01 -0.17 -0.04 0.89 -0.04 2fawA1 ARG 194 H 0.03 0.21 -0.04 -0.55 8.46 8.10 2fawA1 ARG 194 HA -0.78 0.09 0.25 -0.75 4.34 3.15 2fawA1 ARG 194 HB2 0.27 -0.06 0.09 -0.04 1.90 2.17 2fawA1 ARG 194 HB3 0.02 0.04 0.03 -0.04 1.80 1.85 2fawA1 ARG 194 HG2 -0.07 0.02 -0.08 -0.04 1.67 1.50 2fawA1 ARG 194 HG3 -0.09 0.06 -0.05 -0.04 1.67 1.55 2fawA1 ARG 194 HD2 0.35 -0.17 -0.05 -0.04 3.22 3.30 2fawA1 ARG 194 HD3 0.11 -0.04 -0.09 -0.04 3.22 3.16 2fawA1 LYS 195 H -0.07 0.41 -0.32 -0.55 8.42 7.89 2fawA1 LYS 195 HA -0.05 0.05 0.27 -0.75 4.32 3.84 2fawA1 LYS 195 HB2 -0.03 0.14 0.08 -0.04 1.87 2.02 2fawA1 LYS 195 HB3 -0.04 -0.02 0.07 -0.04 1.79 1.76 2fawA1 LYS 195 HG2 -0.02 -0.00 0.02 -0.04 1.46 1.42 2fawA1 LYS 195 HG3 -0.02 -0.02 -0.03 -0.04 1.46 1.35 2fawA1 LYS 195 HD2 -0.02 -0.03 -0.08 -0.04 1.69 1.52 2fawA1 LYS 195 HD3 -0.02 0.02 -0.32 -0.04 1.68 1.32 2fawA1 LYS 195 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.89 2fawA1 LYS 195 HE3 -0.01 -0.01 -0.05 -0.04 2.99 2.88 2fawA1 LYS 196 H -0.08 0.64 -0.11 -0.55 8.42 8.32 2fawA1 LYS 196 HA -0.02 -0.01 0.38 -0.75 4.32 3.92 2fawA1 LYS 196 HB2 -0.07 0.32 0.23 -0.04 1.87 2.31 2fawA1 LYS 196 HB3 0.02 -0.02 -0.07 -0.04 1.79 1.68 2fawA1 LYS 196 HG2 0.01 -0.02 0.04 -0.04 1.46 1.44 2fawA1 LYS 196 HG3 -0.02 -0.04 0.05 -0.04 1.46 1.41 2fawA1 LYS 196 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.61 2fawA1 LYS 196 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.58 2fawA1 LYS 196 HE2 0.10 0.01 -0.07 -0.04 2.99 2.99 2fawA1 LYS 196 HE3 0.05 0.01 -0.04 -0.04 2.99 2.96 2fawA1 LEU 197 H -0.15 0.56 -0.22 -0.55 8.37 8.02 2fawA1 LEU 197 HA 0.15 -0.00 0.43 -0.75 4.35 4.18 2fawA1 LEU 197 HB2 -0.44 0.13 0.16 -0.04 1.64 1.45 2fawA1 LEU 197 HB3 -0.23 -0.00 0.01 -0.04 1.64 1.37 2fawA1 LEU 197 HG -0.04 0.06 0.00 -0.04 1.64 1.63 2fawA1 LEU 197 HD13 -0.88 -0.02 -0.10 -0.04 0.93 -0.11 2fawA1 LEU 197 HD23 -0.13 -0.02 -0.03 -0.04 0.89 0.68 2fawA1 ILE 198 H -0.10 0.75 -0.08 -0.55 8.25 8.27 2fawA1 ILE 198 HA -0.00 0.03 0.15 -0.75 4.18 3.61 2fawA1 ILE 198 HB -0.04 0.06 0.17 -0.04 1.89 2.04 2fawA1 ILE 198 HG12 -0.02 0.04 0.05 -0.04 1.49 1.52 2fawA1 ILE 198 HG13 -0.09 0.03 0.03 -0.04 1.21 1.14 2fawA1 ILE 198 HG23 -0.02 -0.04 -0.10 -0.04 0.93 0.73 2fawA1 ILE 198 HD13 -0.02 -0.03 -0.08 -0.04 0.88 0.71 2fawA1 ASP 199 H -0.02 0.67 -0.12 -0.55 8.40 8.38 2fawA1 ASP 199 HA -0.02 -0.02 0.32 -0.75 4.63 4.15 2fawA1 ASP 199 HB2 -0.01 0.17 0.16 -0.04 2.71 3.00 2fawA1 ASP 199 HB3 -0.01 -0.07 -0.02 -0.04 2.70 2.55 2fawA1 GLU 200 H 0.02 0.41 -0.40 -0.55 8.60 8.08 2fawA1 GLU 200 HA -0.05 0.04 0.63 -0.75 4.29 4.16 2fawA1 GLU 200 HB2 0.21 0.08 0.16 -0.04 2.09 2.50 2fawA1 GLU 200 HB3 0.01 -0.08 0.13 -0.04 1.99 2.01 2fawA1 GLU 200 HG2 0.04 -0.06 0.02 -0.04 2.34 2.29 2fawA1 GLU 200 HG3 0.06 0.23 0.03 -0.04 2.34 2.61 2fawA1 GLY 201 H -0.08 0.54 -0.51 -0.55 8.43 7.82 2fawA1 GLY 201 HA2 -0.12 0.01 0.28 -0.51 4.01 3.67 2fawA1 GLY 201 HA3 -0.26 0.10 0.74 -0.51 4.01 4.08 2fawA1 PHE 202 H -0.05 0.60 -0.03 -0.55 8.34 8.30 2fawA1 PHE 202 HA -0.04 0.08 0.70 -0.75 4.62 4.60 2fawA1 PHE 202 HB2 -0.13 0.02 0.01 -0.04 3.15 3.01 2fawA1 PHE 202 HB3 -0.10 -0.02 0.12 -0.04 3.06 3.02 2fawA1 PHE 202 HD2 -0.04 0.04 0.04 -0.04 7.28 7.27 2fawA1 PHE 202 HE2 -0.00 -0.02 -0.02 -0.04 7.38 7.30 2fawA1 PHE 202 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.24 2fawA1 ARG 203 H 0.01 0.40 -0.02 -0.55 8.46 8.30 2fawA1 ARG 203 HA 0.01 0.08 0.05 -0.75 4.34 3.72 2fawA1 ARG 203 HB2 0.01 -0.01 0.07 -0.04 1.90 1.93 2fawA1 ARG 203 HB3 0.01 -0.02 0.02 -0.04 1.80 1.76 2fawA1 ARG 203 HG2 -0.02 -0.01 -0.01 -0.04 1.67 1.59 2fawA1 ARG 203 HG3 -0.03 -0.02 -0.15 -0.04 1.67 1.43 2fawA1 ARG 203 HD2 -0.03 0.08 0.06 -0.04 3.22 3.29 2fawA1 ARG 203 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.13 2fawA1 ASP 204 H 0.06 0.06 -0.18 -0.55 8.40 7.79 2fawA1 ASP 204 HA 0.05 0.26 0.87 -0.75 4.63 5.06 2fawA1 ASP 204 HB2 0.07 -0.00 0.12 -0.04 2.71 2.86 2fawA1 ASP 204 HB3 0.05 -0.05 -0.01 -0.04 2.70 2.64 2fawA1 ILE 205 H 0.04 0.23 -0.42 -0.55 8.25 7.55 2fawA1 ILE 205 HA 0.13 0.08 0.44 -0.75 4.18 4.07 2fawA1 ILE 205 HB -0.13 0.03 -0.15 -0.04 1.89 1.59 2fawA1 ILE 205 HG12 -0.09 0.20 0.01 -0.04 1.49 1.56 2fawA1 ILE 205 HG13 -0.03 0.02 -0.16 -0.04 1.21 0.99 2fawA1 ILE 205 HG23 -0.15 0.05 0.00 -0.04 0.93 0.79 2fawA1 ILE 205 HD13 -0.84 -0.04 -0.02 -0.04 0.88 -0.07 2fawA1 ASP 206 H 0.31 0.50 0.18 -0.55 8.40 8.85 2fawA1 ASP 206 HA 0.18 0.11 0.55 -0.75 4.63 4.72 2fawA1 ASP 206 HB2 0.25 0.05 0.06 -0.04 2.71 3.02 2fawA1 ASP 206 HB3 0.02 -0.04 0.16 -0.04 2.70 2.80 2fawA1 VAL 207 H 0.06 0.05 0.17 -0.55 8.24 7.97 2fawA1 VAL 207 HA 0.21 0.13 0.13 -0.75 4.13 3.84 2fawA1 VAL 207 HB 0.05 0.10 0.18 -0.04 2.12 2.40 2fawA1 VAL 207 HG13 -0.05 -0.00 0.08 -0.04 0.97 0.96 2fawA1 VAL 207 HG23 0.16 -0.02 -0.02 -0.04 0.95 1.03 2fawA1 LEU 208 H 0.17 0.13 0.17 -0.55 8.37 8.29 2fawA1 LEU 208 HA -1.07 0.07 0.61 -0.75 4.35 3.21 2fawA1 LEU 208 HB2 0.19 -0.06 0.15 -0.04 1.64 1.88 2fawA1 LEU 208 HB3 0.03 0.19 0.28 -0.04 1.64 2.10 2fawA1 LEU 208 HG -0.15 0.01 -0.23 -0.04 1.64 1.23 2fawA1 LEU 208 HD13 -0.24 0.01 -0.08 -0.04 0.93 0.58 2fawA1 LEU 208 HD23 0.06 -0.01 -0.20 -0.04 0.89 0.70 2fawA1 ASN 209 H -0.64 0.65 0.54 -0.55 8.53 8.53 2fawA1 ASN 209 HA -0.10 -0.08 0.41 -0.75 4.76 4.24 2fawA1 ASN 209 HB2 -0.14 0.12 -0.32 -0.04 2.88 2.50 2fawA1 ASN 209 HB3 -0.28 0.09 -0.01 -0.04 2.79 2.55 2fawA1 ASN 209 HD21 -0.13 -0.08 0.00 -0.04 7.03 6.78 2fawA1 ASN 209 HD22 -0.21 0.67 0.06 -0.04 7.74 8.23 2fawA1 GLY 210 H -0.04 0.06 -0.08 -0.55 8.43 7.82 2fawA1 GLY 210 HA2 -0.02 -0.05 0.24 -0.51 4.01 3.67 2fawA1 GLY 210 HA3 -0.12 0.25 0.81 -0.51 4.01 4.44 2fawA1 ILE 211 H 0.06 0.32 0.12 -0.55 8.25 8.20 2fawA1 ILE 211 HA 0.13 0.38 1.02 -0.75 4.18 4.95 2fawA1 ILE 211 HB 0.12 0.01 -0.17 -0.04 1.89 1.81 2fawA1 ILE 211 HG12 0.17 0.07 -0.24 -0.04 1.49 1.45 2fawA1 ILE 211 HG13 0.08 -0.23 -0.61 -0.04 1.21 0.41 2fawA1 ILE 211 HG23 0.18 -0.01 -0.24 -0.04 0.93 0.82 2fawA1 ILE 211 HD13 0.20 0.03 -0.39 -0.04 0.88 0.69 2fawA1 ALA 212 H 0.21 0.82 0.32 -0.55 8.40 9.20 2fawA1 ALA 212 HA 0.20 0.20 0.91 -0.75 4.34 4.90 2fawA1 ALA 212 HB3 0.27 -0.03 -0.36 -0.04 1.41 1.26 2fawA1 TRP 213 H 0.30 0.22 0.27 -0.55 7.97 8.21 2fawA1 TRP 213 HA -0.21 0.29 1.10 -0.75 4.62 5.05 2fawA1 TRP 213 HB2 -0.34 0.01 -0.11 -0.04 3.23 2.75 2fawA1 TRP 213 HB3 -0.12 0.05 0.21 -0.04 3.23 3.33 2fawA1 TRP 213 HD1 -0.08 0.10 0.12 -0.04 7.22 7.32 2fawA1 TRP 213 HE1 -0.12 -0.03 0.04 -0.04 10.20 10.05 2fawA1 TRP 213 HE3 -0.36 0.05 -0.21 -0.04 7.59 7.03 2fawA1 TRP 213 HZ2 -0.15 0.04 -0.01 -0.04 7.44 7.28 2fawA1 TRP 213 HZ3 -0.25 0.04 -0.44 -0.04 7.13 6.44 2fawA1 TRP 213 HH2 -0.16 0.08 -0.07 -0.04 7.19 7.00 2fawA1 ASP 214 H -0.80 0.97 0.32 -0.55 8.40 8.35 2fawA1 ASP 214 HA -0.83 0.16 0.83 -0.75 4.63 4.03 2fawA1 ASP 214 HB2 -1.73 0.06 -0.03 -0.04 2.71 0.98 2fawA1 ASP 214 HB3 -0.85 0.07 0.27 -0.04 2.70 2.15 2fawA1 GLN 215 H -0.59 0.34 0.15 -0.55 8.47 7.82 2fawA1 GLN 215 HA -1.06 0.11 0.41 -0.75 4.36 3.07 2fawA1 GLN 215 HB2 0.03 0.03 0.13 -0.04 2.15 2.29 2fawA1 GLN 215 HB3 -0.12 0.02 0.18 -0.04 2.02 2.05 2fawA1 GLN 215 HG2 -0.03 0.04 -0.23 -0.04 2.40 2.14 2fawA1 GLN 215 HG3 0.16 -0.00 0.08 -0.04 2.39 2.58 2fawA1 GLN 215 HE21 0.17 0.03 0.04 -0.04 6.97 7.17 2fawA1 GLN 215 HE22 0.30 -0.07 0.06 -0.04 7.69 7.94 2fawA1 GLU 216 H -0.27 0.03 -0.08 -0.55 8.60 7.73 2fawA1 GLU 216 HA -0.10 0.15 0.36 -0.75 4.29 3.95 2fawA1 GLU 216 HB2 -0.05 -0.12 0.14 -0.04 2.09 2.01 2fawA1 GLU 216 HB3 -0.04 0.08 0.06 -0.04 1.99 2.04 2fawA1 GLU 216 HG2 -0.01 0.07 0.07 -0.04 2.34 2.43 2fawA1 GLU 216 HG3 -0.03 -0.05 0.08 -0.04 2.34 2.30 2fawA1 ASN 217 H -0.35 -0.06 -0.22 -0.55 8.53 7.36 2fawA1 ASN 217 HA -0.13 0.26 0.71 -0.75 4.76 4.85 2fawA1 ASN 217 HB2 -0.22 -0.07 -0.06 -0.04 2.88 2.49 2fawA1 ASN 217 HB3 -0.10 0.08 0.04 -0.04 2.79 2.77 2fawA1 ASN 217 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.96 2fawA1 ASN 217 HD22 -0.05 -0.05 -0.02 -0.04 7.74 7.57 2fawA1 LYS 218 H -0.61 0.09 -0.39 -0.55 8.42 6.95 2fawA1 LYS 218 HA -1.09 -0.01 0.34 -0.75 4.32 2.81 2fawA1 LYS 218 HB2 -0.06 0.17 0.17 -0.04 1.87 2.11 2fawA1 LYS 218 HB3 0.15 -0.07 0.13 -0.04 1.79 1.96 2fawA1 LYS 218 HG2 -0.12 0.04 -0.46 -0.04 1.46 0.87 2fawA1 LYS 218 HG3 0.01 -0.03 -0.08 -0.04 1.46 1.32 2fawA1 LYS 218 HD2 0.33 -0.08 0.02 -0.04 1.69 1.91 2fawA1 LYS 218 HD3 -0.15 0.01 0.10 -0.04 1.68 1.60 2fawA1 LYS 218 HE2 0.08 -0.06 0.01 -0.04 2.99 2.98 2fawA1 LYS 218 HE3 0.15 -0.12 0.06 -0.04 2.99 3.04 2fawA1 ARG 219 H -0.97 0.30 0.19 -0.55 8.46 7.43 2fawA1 ARG 219 HA -0.26 0.28 1.00 -0.75 4.34 4.60 2fawA1 ARG 219 HB2 -0.67 -0.17 -0.00 -0.04 1.90 1.02 2fawA1 ARG 219 HB3 -0.96 0.06 -0.10 -0.04 1.80 0.75 2fawA1 ARG 219 HG2 -0.17 0.16 -0.15 -0.04 1.67 1.47 2fawA1 ARG 219 HG3 -0.26 -0.05 -0.60 -0.04 1.67 0.72 2fawA1 ARG 219 HD2 0.07 0.02 -0.11 -0.04 3.22 3.16 2fawA1 ARG 219 HD3 0.02 0.06 -0.11 -0.04 3.22 3.15 2fawA1 ILE 220 H -0.17 0.35 0.22 -0.55 8.25 8.09 2fawA1 ILE 220 HA 0.08 0.16 0.96 -0.75 4.18 4.62 2fawA1 ILE 220 HB 0.07 0.15 0.19 -0.04 1.89 2.26 2fawA1 ILE 220 HG12 -0.16 -0.02 -0.11 -0.04 1.49 1.16 2fawA1 ILE 220 HG13 0.34 -0.07 -0.18 -0.04 1.21 1.26 2fawA1 ILE 220 HG23 0.21 -0.01 -0.26 -0.04 0.93 0.83 2fawA1 ILE 220 HD13 0.20 0.04 -0.07 -0.04 0.88 1.01 2fawA1 PHE 221 H 0.11 0.81 0.39 -0.55 8.34 9.10 2fawA1 PHE 221 HA 0.15 0.46 1.14 -0.75 4.62 5.62 2fawA1 PHE 221 HB2 0.06 -0.10 -0.01 -0.04 3.15 3.06 2fawA1 PHE 221 HB3 0.05 0.05 -0.20 -0.04 3.06 2.92 2fawA1 PHE 221 HD2 0.04 0.04 -0.36 -0.04 7.28 6.96 2fawA1 PHE 221 HE2 -0.33 -0.04 -0.19 -0.04 7.38 6.77 2fawA1 PHE 221 HZ -0.18 -0.03 -0.16 -0.04 7.32 6.91 2fawA1 VAL 222 H 0.35 0.74 0.38 -0.55 8.24 9.16 2fawA1 VAL 222 HA 0.11 0.40 0.96 -0.75 4.13 4.85 2fawA1 VAL 222 HB 0.06 0.09 0.03 -0.04 2.12 2.25 2fawA1 VAL 222 HG13 0.17 -0.04 -0.27 -0.04 0.97 0.78 2fawA1 VAL 222 HG23 0.25 -0.01 -0.11 -0.04 0.95 1.05 2fawA1 THR 223 H -0.15 0.56 0.10 -0.55 8.28 8.24 2fawA1 THR 223 HA 0.12 0.15 0.58 -0.75 4.39 4.49 2fawA1 THR 223 HB -0.15 -0.09 -0.13 -0.04 4.32 3.91 2fawA1 THR 223 HG23 -0.49 0.01 -0.11 -0.04 1.22 0.58 2fawA1 GLY 224 H -0.64 0.38 0.28 -0.55 8.43 7.89 2fawA1 GLY 224 HA2 -0.92 0.02 0.89 -0.51 4.01 3.48 2fawA1 GLY 224 HA3 -2.93 0.06 0.29 -0.51 4.01 0.92 2fawA1 LYS 225 H -0.48 0.77 0.15 -0.55 8.42 8.31 2fawA1 LYS 225 HA -0.21 -0.19 0.56 -0.75 4.32 3.73 2fawA1 LYS 225 HB2 -0.29 -0.15 0.18 -0.04 1.87 1.57 2fawA1 LYS 225 HB3 -0.97 -0.01 0.04 -0.04 1.79 0.81 2fawA1 LYS 225 HG2 -0.64 0.21 -0.10 -0.04 1.46 0.89 2fawA1 LYS 225 HG3 -0.42 0.10 0.06 -0.04 1.46 1.16 2fawA1 LYS 225 HD2 -0.49 -0.16 0.06 -0.04 1.69 1.06 2fawA1 LYS 225 HD3 -2.41 -0.03 -0.05 -0.04 1.68 -0.84 2fawA1 LYS 225 HE2 -0.48 0.16 -0.04 -0.04 2.99 2.59 2fawA1 LYS 225 HE3 -0.23 -0.03 -0.01 -0.04 2.99 2.68 2fawA1 LEU 226 H 0.14 0.75 0.36 -0.55 8.37 9.08 2fawA1 LEU 226 HA 0.09 0.08 -0.02 -0.75 4.35 3.74 2fawA1 LEU 226 HB2 0.19 -0.04 0.22 -0.04 1.64 1.97 2fawA1 LEU 226 HB3 0.00 0.13 0.20 -0.04 1.64 1.93 2fawA1 LEU 226 HG 0.35 -0.20 -0.49 -0.04 1.64 1.25 2fawA1 LEU 226 HD13 0.20 0.01 -0.05 -0.04 0.93 1.05 2fawA1 LEU 226 HD23 0.18 -0.00 -0.34 -0.04 0.89 0.69 2fawA1 TRP 227 H 0.43 0.37 -0.32 -0.55 7.97 7.90 2fawA1 TRP 227 HA -0.05 0.13 0.54 -0.75 4.62 4.48 2fawA1 TRP 227 HB2 -0.02 -0.01 0.14 -0.04 3.23 3.31 2fawA1 TRP 227 HB3 0.02 -0.01 0.04 -0.04 3.23 3.24 2fawA1 TRP 227 HD1 0.00 0.17 -0.76 -0.04 7.22 6.60 2fawA1 TRP 227 HE1 0.01 0.77 -0.34 -0.04 10.20 10.60 2fawA1 TRP 227 HE3 0.34 0.19 -0.09 -0.04 7.59 7.99 2fawA1 TRP 227 HZ2 0.01 -0.04 -0.10 -0.04 7.44 7.27 2fawA1 TRP 227 HZ3 0.07 -0.04 -0.22 -0.04 7.13 6.90 2fawA1 TRP 227 HH2 -0.03 -0.11 -0.09 -0.04 7.19 6.93 2fawA1 PRO 228 HA -0.07 0.33 0.57 -0.51 4.44 4.76 2fawA1 PRO 228 HB2 -0.52 -0.02 0.09 -0.04 2.28 1.80 2fawA1 PRO 228 HB3 -0.59 0.02 0.12 -0.04 2.02 1.53 2fawA1 PRO 228 HG2 -0.80 0.00 -0.08 -0.04 2.03 1.11 2fawA1 PRO 228 HG3 -3.25 0.03 0.05 -0.04 2.03 -1.19 2fawA1 PRO 228 HD2 -0.41 0.03 0.21 -0.04 3.68 3.47 2fawA1 PRO 228 HD3 -0.46 0.24 0.25 -0.04 3.65 3.64 2fawA1 LYS 229 H 0.08 0.13 -0.28 -0.55 8.42 7.80 2fawA1 LYS 229 HA -0.09 0.35 1.02 -0.75 4.32 4.85 2fawA1 LYS 229 HB2 -0.35 -0.08 -0.09 -0.04 1.87 1.31 2fawA1 LYS 229 HB3 -0.81 -0.00 -0.06 -0.04 1.79 0.88 2fawA1 LYS 229 HG2 -0.16 0.11 -0.18 -0.04 1.46 1.18 2fawA1 LYS 229 HG3 -0.25 -0.07 -0.45 -0.04 1.46 0.64 2fawA1 LYS 229 HD2 0.02 -0.04 -0.12 -0.04 1.69 1.51 2fawA1 LYS 229 HD3 -0.17 -0.04 -0.11 -0.04 1.68 1.31 2fawA1 LYS 229 HE2 0.02 0.02 -0.10 -0.04 2.99 2.88 2fawA1 LYS 229 HE3 0.08 0.01 -0.10 -0.04 2.99 2.94 2fawA1 LEU 230 H -0.08 0.90 0.25 -0.55 8.37 8.89 2fawA1 LEU 230 HA 0.08 0.20 0.87 -0.75 4.35 4.74 2fawA1 LEU 230 HB2 -0.02 -0.00 -0.19 -0.04 1.64 1.39 2fawA1 LEU 230 HB3 0.09 0.08 -0.14 -0.04 1.64 1.62 2fawA1 LEU 230 HG 0.14 0.05 -0.28 -0.04 1.64 1.51 2fawA1 LEU 230 HD13 -0.08 -0.01 -0.25 -0.04 0.93 0.54 2fawA1 LEU 230 HD23 -0.02 -0.02 -0.45 -0.04 0.89 0.35 2fawA1 PHE 231 H 0.42 0.87 0.36 -0.55 8.34 9.44 2fawA1 PHE 231 HA 0.28 0.27 1.00 -0.75 4.62 5.42 2fawA1 PHE 231 HB2 0.23 -0.04 0.05 -0.04 3.15 3.34 2fawA1 PHE 231 HB3 0.19 0.02 -0.14 -0.04 3.06 3.08 2fawA1 PHE 231 HD2 0.26 0.08 -0.12 -0.04 7.28 7.45 2fawA1 PHE 231 HE2 0.21 0.03 -0.16 -0.04 7.38 7.42 2fawA1 PHE 231 HZ -0.04 0.04 -0.12 -0.04 7.32 7.16 2fawA1 GLU 232 H 0.48 0.72 0.38 -0.55 8.60 9.63 2fawA1 GLU 232 HA 0.12 0.39 1.06 -0.75 4.29 5.10 2fawA1 GLU 232 HB2 0.77 -0.01 0.03 -0.04 2.09 2.84 2fawA1 GLU 232 HB3 0.35 -0.12 0.22 -0.04 1.99 2.41 2fawA1 GLU 232 HG2 0.01 0.03 -0.18 -0.04 2.34 2.16 2fawA1 GLU 232 HG3 -0.37 -0.04 0.02 -0.04 2.34 1.92 2fawA1 ILE 233 H 0.05 0.66 0.32 -0.55 8.25 8.73 2fawA1 ILE 233 HA 0.13 0.30 1.15 -0.75 4.18 5.01 2fawA1 ILE 233 HB 0.10 -0.02 -0.18 -0.04 1.89 1.76 2fawA1 ILE 233 HG12 0.16 0.09 -0.20 -0.04 1.49 1.49 2fawA1 ILE 233 HG13 0.13 -0.06 -0.16 -0.04 1.21 1.08 2fawA1 ILE 233 HG23 0.17 -0.01 -0.40 -0.04 0.93 0.65 2fawA1 ILE 233 HD13 0.16 -0.01 -0.27 -0.04 0.88 0.72 2fawA1 LYS 234 H 0.07 0.69 0.36 -0.55 8.42 8.98 2fawA1 LYS 234 HA -0.01 0.13 0.88 -0.75 4.32 4.56 2fawA1 LYS 234 HB2 0.01 0.02 0.03 -0.04 1.87 1.89 2fawA1 LYS 234 HB3 0.02 -0.03 0.10 -0.04 1.79 1.84 2fawA1 LYS 234 HG2 -0.58 0.12 -0.26 -0.04 1.46 0.71 2fawA1 LYS 234 HG3 -0.12 -0.02 0.10 -0.04 1.46 1.37 2fawA1 LYS 234 HD2 0.01 0.00 0.01 -0.04 1.69 1.67 2fawA1 LYS 234 HD3 0.08 -0.03 -0.04 -0.04 1.68 1.65 2fawA1 LYS 234 HE2 0.07 -0.03 -0.00 -0.04 2.99 2.99 2fawA1 LYS 234 HE3 -0.06 0.01 -0.02 -0.04 2.99 2.89 2fawA1 LEU 235 H -0.07 0.15 0.09 -0.55 8.37 8.00 2fawA1 LEU 235 HA -0.01 0.27 0.75 -0.75 4.35 4.61 2fawA1 LEU 235 HB2 -0.10 -0.03 0.06 -0.04 1.64 1.54 2fawA1 LEU 235 HB3 -0.11 0.00 -0.17 -0.04 1.64 1.32 2fawA1 LEU 235 HG -0.13 0.05 -0.17 -0.04 1.64 1.35 2fawA1 LEU 235 HD13 0.07 -0.02 -0.28 -0.04 0.93 0.67 2fawA1 LEU 235 HD23 -0.84 -0.00 -0.18 -0.04 0.89 -0.17 2fawA1 HIS 236 H 0.14 0.79 0.33 -0.55 8.41 9.12 2fawA1 HIS 236 HA 0.10 0.12 0.80 -0.75 4.63 4.90 2fawA1 HIS 236 HB2 0.04 -0.07 0.03 -0.04 3.26 3.23 2fawA1 HIS 236 HB3 0.03 0.07 -0.03 -0.04 3.20 3.23 2fawA1 HIS 236 HD2 0.05 -0.03 -0.24 -0.04 6.97 6.70 2fawA1 HIS 236 HE1 0.04 -0.00 -0.06 -0.04 7.75 7.68 2fawA1 LEU 237 H 0.14 0.15 0.06 -0.55 8.37 8.17 2fawA1 LEU 237 HA -0.48 0.11 0.53 -0.75 4.35 3.76 2fawA1 LEU 237 HB2 -0.03 -0.03 0.09 -0.04 1.64 1.63 2fawA1 LEU 237 HB3 -0.05 -0.04 0.04 -0.04 1.64 1.55 2fawA1 LEU 237 HG -0.22 0.26 -0.17 -0.04 1.64 1.47 2fawA1 LEU 237 HD13 -0.69 0.03 0.04 -0.04 0.93 0.27 2fawA1 LEU 237 HD23 -0.08 -0.02 -0.01 -0.04 0.89 0.74 2fawA1 VAL 238 H -0.30 1.05 0.58 -0.55 8.24 9.02 2fawA1 VAL 238 HA -0.19 -0.03 0.65 -0.75 4.13 3.80 2fawA1 VAL 238 HB -0.29 0.02 0.16 -0.04 2.12 1.97 2fawA1 VAL 238 HG13 -0.84 0.03 -0.12 -0.04 0.97 0.00 2fawA1 VAL 238 HG23 -0.15 -0.02 -0.13 -0.04 0.95 0.61 2fawA1 ARG 239 H -0.15 0.03 0.22 -0.55 8.46 8.00 2fawA1 ARG 239 HA -0.10 0.17 0.70 -0.75 4.34 4.36 2fawA1 ARG 239 HB2 -0.02 -0.04 0.11 -0.04 1.90 1.91 2fawA1 ARG 239 HB3 -0.02 -0.02 0.04 -0.04 1.80 1.76 2fawA1 ARG 239 HG2 -0.04 0.00 -0.05 -0.04 1.67 1.54 2fawA1 ARG 239 HG3 -0.05 0.17 -0.19 -0.04 1.67 1.56 2fawA1 ARG 239 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.16 2fawA1 ARG 239 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.15 2fawA1 HIS 240 H -0.22 -0.09 0.07 -0.55 8.41 7.62 2fawA1 HIS 240 HA -0.04 0.10 0.48 -0.75 4.63 4.41 2fawA1 HIS 240 HB2 -0.05 0.03 0.11 -0.04 3.26 3.31 2fawA1 HIS 240 HB3 -0.05 -0.02 0.09 -0.04 3.20 3.18 2fawA1 HIS 240 HD2 -0.06 -0.03 0.06 -0.04 6.97 6.90 2fawA1 HIS 240 HE1 -0.19 -0.02 -0.07 -0.04 7.75 7.44 2fawA1 ARG 241 H 0.08 0.07 0.13 -0.55 8.46 8.18 2fawA1 ARG 241 HA -0.02 0.09 0.49 -0.75 4.34 4.14 2fawA1 ARG 241 HB2 0.00 0.03 0.07 -0.04 1.90 1.96 2fawA1 ARG 241 HB3 0.02 -0.03 0.14 -0.04 1.80 1.89 2fawA1 ARG 241 HG2 0.02 -0.04 -0.22 -0.04 1.67 1.39 2fawA1 ARG 241 HG3 0.01 0.08 -0.41 -0.04 1.67 1.31 2fawA1 ARG 241 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.12 2fawA1 ARG 241 HD3 0.01 -0.02 -0.08 -0.04 3.22 3.10 2fawA1 ILE 242 H -0.04 0.17 0.15 -0.55 8.25 7.98 2fawA1 ILE 242 HA -0.11 0.17 0.77 -0.75 4.18 4.25 2fawA1 ILE 242 HB -0.06 -0.02 0.12 -0.04 1.89 1.90 2fawA1 ILE 242 HG12 -0.33 -0.04 -0.04 -0.04 1.49 1.04 2fawA1 ILE 242 HG13 -0.26 0.08 -0.28 -0.04 1.21 0.72 2fawA1 ILE 242 HG23 -0.11 0.02 -0.09 -0.04 0.93 0.71 2fawA1 ILE 242 HD13 -0.18 0.00 -0.03 -0.04 0.88 0.63 2fawA1 PRO 243 HA 0.04 0.02 0.34 -0.51 4.44 4.33 2fawA1 PRO 243 HB2 0.20 0.02 -0.06 -0.04 2.28 2.40 2fawA1 PRO 243 HB3 0.09 0.06 0.08 -0.04 2.02 2.20 2fawA1 PRO 243 HG2 0.17 0.03 0.06 -0.04 2.03 2.25 2fawA1 PRO 243 HG3 0.04 0.07 0.06 -0.04 2.03 2.16 2fawA1 PRO 243 HD2 -0.30 0.04 0.18 -0.04 3.68 3.56 2fawA1 PRO 243 HD3 -0.07 0.28 0.18 -0.04 3.65 4.00 2fawA1 ASP 244 H 0.05 0.11 0.18 -0.55 8.40 8.18 2fawA1 ASP 244 HA 0.06 0.05 0.57 -0.75 4.63 4.56 2fawA1 ASP 244 HB2 0.03 0.01 0.13 -0.04 2.71 2.84 2fawA1 ASP 244 HB3 0.03 0.02 0.07 -0.04 2.70 2.78 2fawA1 GLY 245 H 0.07 0.15 0.19 -0.55 8.43 8.29 2fawA1 GLY 245 HA2 0.02 0.01 0.34 -0.51 4.01 3.87 2fawA1 GLY 245 HA3 0.01 0.18 0.36 -0.51 4.01 4.05 2fawA1 TYR 246 H 0.17 0.48 -0.45 -0.55 8.29 7.94 2fawA1 TYR 246 HA 0.05 0.10 0.21 -0.75 4.56 4.18 2fawA1 TYR 246 HB2 0.03 0.10 -0.00 -0.04 3.06 3.15 2fawA1 TYR 246 HB3 0.01 -0.04 0.04 -0.04 2.98 2.94 2fawA1 TYR 246 HD2 0.01 -0.00 -0.17 -0.04 7.15 6.94 2fawA1 TYR 246 HE2 -0.13 0.01 -0.05 -0.04 6.85 6.63 2fawA1 ILE 247 H 0.12 0.15 -0.09 -0.55 8.25 7.88 2fawA1 ILE 247 HA -0.29 0.08 0.35 -0.75 4.18 3.57 2fawA1 ILE 247 HB -0.06 -0.02 0.01 -0.04 1.89 1.77 2fawA1 ILE 247 HG12 0.05 -0.03 0.01 -0.04 1.49 1.48 2fawA1 ILE 247 HG13 -0.16 0.10 -0.03 -0.04 1.21 1.07 2fawA1 ILE 247 HG23 -1.86 0.03 -0.21 -0.04 0.93 -1.16 2fawA1 ILE 247 HD13 -0.16 0.01 -0.08 -0.04 0.88 0.61 2fawA1 GLU 248 H -0.03 -0.00 -0.41 -0.55 8.60 7.61 2fawA1 GLU 248 HA -0.17 0.11 0.31 -0.75 4.29 3.78 2fawA1 GLU 248 HB2 -0.09 0.00 0.08 -0.04 2.09 2.04 2fawA1 GLU 248 HB3 -0.24 0.18 -0.03 -0.04 1.99 1.86 2fawA1 GLU 248 HG2 -0.10 0.10 0.02 -0.04 2.34 2.32 2fawA1 GLU 248 HG3 0.09 0.05 -0.03 -0.04 2.34 2.41 2fawA1 ARG 249 H -0.23 0.65 -0.25 -0.55 8.46 8.07 2fawA1 ARG 249 HA -0.28 -0.01 0.41 -0.75 4.34 3.71 2fawA1 ARG 249 HB2 -0.49 0.14 0.19 -0.04 1.90 1.70 2fawA1 ARG 249 HB3 -0.69 -0.02 -0.04 -0.04 1.80 1.00 2fawA1 ARG 249 HG2 -0.22 -0.04 -0.00 -0.04 1.67 1.37 2fawA1 ARG 249 HG3 -0.18 0.08 0.04 -0.04 1.67 1.57 2fawA1 ARG 249 HD2 -0.21 -0.01 -0.03 -0.04 3.22 2.92 2fawA1 ARG 249 HD3 -0.11 -0.03 -0.04 -0.04 3.22 3.01 2fawA1 HIS 250 H -0.39 0.49 -0.01 -0.55 8.41 7.96 2fawA1 HIS 250 HA -0.25 0.16 0.43 -0.75 4.63 4.21 2fawA1 HIS 250 HB2 -0.51 0.02 0.08 -0.04 3.26 2.81 2fawA1 HIS 250 HB3 -0.26 -0.08 0.04 -0.04 3.20 2.86 2fawA1 HIS 250 HD2 -0.18 0.01 0.00 -0.04 6.97 6.75 2fawA1 HIS 250 HE1 -0.31 -0.01 -0.02 -0.04 7.75 7.37 2fawA1 CYS 251 H -0.39 0.67 0.02 -0.55 8.50 8.25 2fawA1 CYS 251 HA -0.22 0.12 0.82 -0.75 4.58 4.54 2fawA1 CYS 251 HB2 -1.35 0.10 -0.02 -0.04 2.97 1.66 2fawA1 CYS 251 HB3 -1.36 -0.02 -0.06 -0.04 2.97 1.49 2fawA1 LEU 252 H -0.30 0.21 -0.07 -0.55 8.37 7.66 2fawA1 LEU 252 HA -0.04 0.22 0.84 -0.75 4.35 4.61 2fawA1 LEU 252 HB2 -0.18 0.12 0.16 -0.04 1.64 1.70 2fawA1 LEU 252 HB3 -0.05 0.01 0.12 -0.04 1.64 1.68 2fawA1 LEU 252 HG -0.30 -0.10 -0.28 -0.04 1.64 0.92 2fawA1 LEU 252 HD13 0.24 -0.01 -0.10 -0.04 0.93 1.01 2fawA1 LEU 252 HD23 0.23 0.06 -0.16 -0.04 0.89 0.99 2fawA1 ASN 253 H -0.19 0.01 -0.45 -0.55 8.53 7.36 2fawA1 ASN 253 HA -0.17 0.24 0.34 -0.75 4.76 4.42 2fawA1 ASN 253 HB2 -0.07 0.06 -0.33 -0.04 2.88 2.50 2fawA1 ASN 253 HB3 -0.09 -0.08 0.19 -0.04 2.79 2.77 2fawA1 ASN 253 HD21 -0.12 0.39 0.01 -0.04 7.03 7.27 2fawA1 ASN 253 HD22 -0.11 -0.05 -0.12 -0.04 7.74 7.43 2fawA1 LEU 254 H -0.19 0.56 -0.21 -0.55 8.37 7.99 2fawA1 LEU 254 HA -0.17 -0.09 -0.04 -0.75 4.35 3.29 2fawA1 LEU 254 HB2 -0.10 -0.09 0.01 -0.04 1.64 1.42 2fawA1 LEU 254 HB3 -0.10 0.04 -0.19 -0.04 1.64 1.34 2fawA1 LEU 254 HG -0.05 0.09 0.14 -0.04 1.64 1.77 2fawA1 LEU 254 HD13 -0.03 -0.03 0.02 -0.04 0.93 0.85 2fawA1 LEU 254 HD23 -0.05 0.01 0.05 -0.04 0.89 0.86