============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 28 0.840 -46.320 36.414 -62.121 -99.200 -91.000 TYR 31 0.840 -40.259 43.631 -65.830 -99.200 -91.000 PHE 42 1.000 -42.593 34.015 -53.340 -99.200 -91.000 PHE 47 1.000 -39.739 46.187 -54.414 -99.200 -91.000 TRP 50 1.040 -47.584 42.379 -52.466 -99.200 -91.000 TRP6 50 1.020 -46.113 41.362 -50.913 -99.200 -91.000 PHE 63 1.000 -40.009 42.497 -50.491 -99.200 -91.000 HIS 89 0.900 -56.766 19.360 -47.192 -99.200 -91.000 TYR 100 0.840 -54.820 32.623 -32.467 -99.200 -91.000 HIS 145 0.900 -29.881 30.458 -40.275 -99.200 -91.000 TYR 150 0.840 -40.790 32.423 -49.455 -99.200 -91.000 PHE 154 1.000 -41.958 25.427 -47.053 -99.200 -91.000 HIS 156 0.900 -32.472 25.191 -41.574 -99.200 -91.000 PHE 159 1.000 -37.788 18.607 -46.855 -99.200 -91.000 PHE 171 1.000 -40.291 25.937 -52.134 -99.200 -91.000 TYR 178 0.840 -48.683 26.278 -57.966 -99.200 -91.000 HIS 181 0.900 -53.205 31.535 -64.275 -99.200 -91.000 PHE 183 1.000 -60.145 40.178 -61.848 -99.200 -91.000 PHE 188 1.000 -65.359 37.205 -58.660 -99.200 -91.000 TYR 201 0.840 -54.326 39.572 -41.037 -99.200 -91.000 HIS 216 0.900 -58.142 27.993 -57.515 -99.200 -91.000 HIS 225 0.900 -53.553 11.363 -52.179 -99.200 -91.000 TRP 239 1.040 -55.983 5.568 -62.825 -99.200 -91.000 TRP6 239 1.020 -55.991 7.899 -63.267 -99.200 -91.000 PHE 253 1.000 -53.493 15.923 -68.318 -99.200 -91.000 HIS 255 0.900 -56.663 27.641 -66.805 -99.200 -91.000 TYR 258 0.840 -53.006 29.449 -69.480 -99.200 -91.000 HIS 260 0.900 -55.722 26.019 -78.789 -99.200 -91.000 TRP 284 1.040 -42.314 9.390 -58.838 -99.200 -91.000 TRP6 284 1.020 -44.147 8.010 -58.245 -99.200 -91.000 TYR 288 0.840 -45.519 15.788 -67.203 -99.200 -91.000 PHE 307 1.000 -50.021 15.268 -65.366 -99.200 -91.000 TYR 313 0.840 -44.822 21.852 -54.856 -99.200 -91.000 TYR 314 0.840 -43.956 10.981 -53.752 -99.200 -91.000 PHE 318 1.000 -41.779 20.761 -50.407 -99.200 -91.000 PHE 323 1.000 -47.363 17.422 -53.117 -99.200 -91.000 PHE 327 1.000 -52.022 27.337 -56.232 -99.200 -91.000 TRP 335 1.040 -55.155 34.174 -53.260 -99.200 -91.000 TRP6 335 1.020 -54.861 32.564 -51.545 -99.200 -91.000 HIS 338 0.900 -55.702 40.098 -58.829 -99.200 -91.000 TYR 355 0.840 -88.314 32.150 -56.689 -99.200 -91.000 HIS 358 0.900 -92.696 25.598 -53.384 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hwkH1 ASP 27 HA 0.00 -0.09 0.19 -0.75 4.63 3.98 3hwkH1 ASP 27 HB2 0.00 -0.01 0.04 -0.04 2.71 2.70 3hwkH1 ASP 27 HB3 0.01 -0.01 0.09 -0.04 2.70 2.74 3hwkH1 ILE 28 H 0.00 0.11 0.08 -0.55 8.25 7.89 3hwkH1 ILE 28 HA 0.01 0.10 0.26 -0.75 4.18 3.79 3hwkH1 ILE 28 HB 0.00 -0.00 0.15 -0.04 1.89 2.00 3hwkH1 ILE 28 HG12 0.01 -0.02 -0.05 -0.04 1.49 1.38 3hwkH1 ILE 28 HG13 0.01 0.05 -0.10 -0.04 1.21 1.13 3hwkH1 ILE 28 HG23 0.01 -0.03 -0.12 -0.04 0.93 0.75 3hwkH1 ILE 28 HD13 0.00 0.00 0.00 -0.04 0.88 0.85 3hwkH1 LYS 29 H 0.01 0.21 0.13 -0.55 8.42 8.20 3hwkH1 LYS 29 HA -0.00 0.22 0.67 -0.75 4.32 4.45 3hwkH1 LYS 29 HB2 0.01 -0.02 0.20 -0.04 1.87 2.01 3hwkH1 LYS 29 HB3 -0.01 -0.03 0.07 -0.04 1.79 1.79 3hwkH1 LYS 29 HG2 0.00 0.12 0.01 -0.04 1.46 1.56 3hwkH1 LYS 29 HG3 0.00 -0.01 -0.02 -0.04 1.46 1.39 3hwkH1 LYS 29 HD2 -0.01 0.06 -0.10 -0.04 1.69 1.60 3hwkH1 LYS 29 HD3 -0.00 0.01 -0.36 -0.04 1.68 1.28 3hwkH1 LYS 29 HE2 0.00 0.05 -0.09 -0.04 2.99 2.91 3hwkH1 LYS 29 HE3 -0.00 -0.01 -0.08 -0.04 2.99 2.85 3hwkH1 LYS 30 H -0.00 0.42 -0.14 -0.55 8.42 8.15 3hwkH1 LYS 30 HA 0.00 0.00 0.42 -0.75 4.32 3.99 3hwkH1 LYS 30 HB2 -0.00 0.09 0.14 -0.04 1.87 2.06 3hwkH1 LYS 30 HB3 -0.00 0.02 -0.02 -0.04 1.79 1.75 3hwkH1 LYS 30 HG2 0.00 -0.02 0.01 -0.04 1.46 1.41 3hwkH1 LYS 30 HG3 -0.00 0.04 0.02 -0.04 1.46 1.47 3hwkH1 LYS 30 HD2 0.00 0.01 -0.04 -0.04 1.69 1.62 3hwkH1 LYS 30 HD3 0.00 -0.05 0.04 -0.04 1.68 1.64 3hwkH1 LYS 30 HE2 0.00 0.01 0.00 -0.04 2.99 2.96 3hwkH1 LYS 30 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.97 3hwkH1 GLY 31 H 0.00 0.17 0.21 -0.55 8.43 8.27 3hwkH1 GLY 31 HA2 -0.00 0.02 0.34 -0.51 4.01 3.86 3hwkH1 GLY 31 HA3 -0.01 0.07 0.41 -0.51 4.01 3.97 3hwkH1 LEU 32 H -0.01 0.43 -0.47 -0.55 8.37 7.78 3hwkH1 LEU 32 HA -0.03 0.09 0.18 -0.75 4.35 3.84 3hwkH1 LEU 32 HB2 -0.10 0.12 -0.08 -0.04 1.64 1.53 3hwkH1 LEU 32 HB3 -0.10 -0.03 0.20 -0.04 1.64 1.67 3hwkH1 LEU 32 HG 0.01 -0.03 -0.05 -0.04 1.64 1.53 3hwkH1 LEU 32 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 3hwkH1 LEU 32 HD23 0.00 0.01 0.01 -0.04 0.89 0.87 3hwkH1 ALA 33 H -0.03 0.35 -0.45 -0.55 8.40 7.73 3hwkH1 ALA 33 HA -0.04 -0.00 0.41 -0.75 4.34 3.95 3hwkH1 ALA 33 HB3 -0.02 0.01 0.07 -0.04 1.41 1.42 3hwkH1 GLY 34 H -0.05 0.13 0.22 -0.55 8.43 8.19 3hwkH1 GLY 34 HA2 -0.04 -0.03 0.31 -0.51 4.01 3.75 3hwkH1 GLY 34 HA3 -0.03 0.06 0.33 -0.51 4.01 3.87 3hwkH1 VAL 35 H -0.05 0.49 -0.43 -0.55 8.24 7.70 3hwkH1 VAL 35 HA -0.03 0.10 0.78 -0.75 4.13 4.23 3hwkH1 VAL 35 HB -0.05 0.03 0.04 -0.04 2.12 2.10 3hwkH1 VAL 35 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.76 3hwkH1 VAL 35 HG23 -0.02 0.02 -0.25 -0.04 0.95 0.65 3hwkH1 VAL 36 H -0.03 0.20 0.13 -0.55 8.24 8.00 3hwkH1 VAL 36 HA -0.08 0.05 0.78 -0.75 4.13 4.13 3hwkH1 VAL 36 HB -0.03 0.02 0.15 -0.04 2.12 2.22 3hwkH1 VAL 36 HG13 -0.07 -0.01 -0.05 -0.04 0.97 0.80 3hwkH1 VAL 36 HG23 -0.05 0.02 -0.01 -0.04 0.95 0.87 3hwkH1 VAL 37 H -0.02 0.09 0.18 -0.55 8.24 7.94 3hwkH1 VAL 37 HA 0.06 0.17 0.45 -0.75 4.13 4.06 3hwkH1 VAL 37 HB 0.22 -0.05 0.08 -0.04 2.12 2.33 3hwkH1 VAL 37 HG13 0.29 0.00 -0.08 -0.04 0.97 1.14 3hwkH1 VAL 37 HG23 -0.07 0.04 -0.12 -0.04 0.95 0.75 3hwkH1 ASP 38 H 0.04 0.11 0.13 -0.55 8.40 8.13 3hwkH1 ASP 38 HA 0.10 0.17 0.57 -0.75 4.63 4.72 3hwkH1 ASP 38 HB2 0.34 0.01 -0.48 -0.04 2.71 2.54 3hwkH1 ASP 38 HB3 0.49 -0.04 -0.14 -0.04 2.70 2.96 3hwkH1 THR 39 H 0.11 0.27 0.16 -0.55 8.28 8.26 3hwkH1 THR 39 HA -0.02 0.13 0.96 -0.75 4.39 4.70 3hwkH1 THR 39 HB 0.02 -0.00 -0.01 -0.04 4.32 4.29 3hwkH1 THR 39 HG23 0.05 0.01 -0.06 -0.04 1.22 1.18 3hwkH1 THR 40 H -0.01 0.22 0.20 -0.55 8.28 8.14 3hwkH1 THR 40 HA 0.11 0.29 0.93 -0.75 4.39 4.96 3hwkH1 THR 40 HB 0.35 0.08 -0.12 -0.04 4.32 4.59 3hwkH1 THR 40 HG23 0.03 0.00 -0.02 -0.04 1.22 1.19 3hwkH1 ALA 41 H 0.04 0.18 0.17 -0.55 8.40 8.24 3hwkH1 ALA 41 HA 0.02 0.21 0.82 -0.75 4.34 4.63 3hwkH1 ALA 41 HB3 0.02 0.04 0.05 -0.04 1.41 1.47 3hwkH1 ILE 42 H 0.02 -0.02 0.04 -0.55 8.25 7.75 3hwkH1 ILE 42 HA -0.00 0.22 0.27 -0.75 4.18 3.92 3hwkH1 ILE 42 HB -0.15 -0.10 0.14 -0.04 1.89 1.74 3hwkH1 ILE 42 HG12 -0.09 0.20 -0.01 -0.04 1.49 1.56 3hwkH1 ILE 42 HG13 -0.07 -0.12 0.01 -0.04 1.21 0.98 3hwkH1 ILE 42 HG23 -0.08 0.01 -0.10 -0.04 0.93 0.72 3hwkH1 ILE 42 HD13 -0.44 0.03 -0.15 -0.04 0.88 0.28 3hwkH1 SER 43 H 0.09 0.14 0.10 -0.55 8.46 8.24 3hwkH1 SER 43 HA 0.14 0.26 0.87 -0.75 4.49 5.02 3hwkH1 SER 43 HB2 0.26 0.12 0.07 -0.04 3.95 4.36 3hwkH1 SER 43 HB3 0.19 0.02 -0.18 -0.04 3.93 3.93 3hwkH1 LYS 44 H 0.09 0.46 0.24 -0.55 8.42 8.66 3hwkH1 LYS 44 HA 0.01 0.06 0.53 -0.75 4.32 4.17 3hwkH1 LYS 44 HB2 0.00 0.15 -0.07 -0.04 1.87 1.91 3hwkH1 LYS 44 HB3 0.02 -0.03 -0.11 -0.04 1.79 1.63 3hwkH1 LYS 44 HG2 -0.00 0.02 -0.14 -0.04 1.46 1.30 3hwkH1 LYS 44 HG3 0.01 -0.08 -0.58 -0.04 1.46 0.76 3hwkH1 LYS 44 HD2 -0.02 -0.09 -0.01 -0.04 1.69 1.52 3hwkH1 LYS 44 HD3 -0.03 0.03 0.01 -0.04 1.68 1.65 3hwkH1 LYS 44 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.87 3hwkH1 LYS 44 HE3 -0.01 0.07 -0.09 -0.04 2.99 2.92 3hwkH1 VAL 45 H -0.02 0.20 0.04 -0.55 8.24 7.92 3hwkH1 VAL 45 HA 0.06 0.10 0.70 -0.75 4.13 4.24 3hwkH1 VAL 45 HB -0.05 0.04 0.10 -0.04 2.12 2.17 3hwkH1 VAL 45 HG13 0.15 0.00 -0.27 -0.04 0.97 0.82 3hwkH1 VAL 45 HG23 -0.04 -0.02 -0.06 -0.04 0.95 0.78 3hwkH1 VAL 46 H 0.03 0.63 0.08 -0.55 8.24 8.43 3hwkH1 VAL 46 HA 0.01 0.14 0.39 -0.75 4.13 3.91 3hwkH1 VAL 46 HB 0.01 0.07 0.14 -0.04 2.12 2.31 3hwkH1 VAL 46 HG13 0.00 -0.05 -0.16 -0.04 0.97 0.72 3hwkH1 VAL 46 HG23 0.00 0.03 -0.04 -0.04 0.95 0.89 3hwkH1 PRO 47 HA 0.04 0.10 0.35 -0.51 4.44 4.41 3hwkH1 PRO 47 HB2 0.01 0.07 0.04 -0.04 2.28 2.37 3hwkH1 PRO 47 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 3hwkH1 PRO 47 HG2 0.00 -0.02 0.15 -0.04 2.03 2.12 3hwkH1 PRO 47 HG3 0.00 0.10 0.12 -0.04 2.03 2.21 3hwkH1 PRO 47 HD2 0.00 0.06 0.19 -0.04 3.68 3.90 3hwkH1 PRO 47 HD3 0.00 0.25 0.27 -0.04 3.65 4.13 3hwkH1 GLN 48 H 0.01 0.14 -0.01 -0.55 8.47 8.06 3hwkH1 GLN 48 HA 0.00 0.10 0.24 -0.75 4.36 3.95 3hwkH1 THR 49 H 0.01 0.05 -0.73 -0.55 8.28 7.06 3hwkH1 THR 49 HA 0.01 0.20 0.64 -0.75 4.39 4.49 3hwkH1 THR 49 HB 0.00 0.07 -0.13 -0.04 4.32 4.22 3hwkH1 THR 49 HG23 0.00 -0.04 -0.12 -0.04 1.22 1.01 3hwkH1 ASN 50 H 0.03 0.34 0.07 -0.55 8.53 8.42 3hwkH1 ASN 50 HA 0.08 0.02 0.28 -0.75 4.76 4.39 3hwkH1 ASN 50 HB2 0.05 0.04 0.04 -0.04 2.88 2.97 3hwkH1 ASN 50 HB3 0.02 0.10 0.10 -0.04 2.79 2.97 3hwkH1 ASN 50 HD21 -0.05 0.17 -0.05 -0.04 7.03 7.06 3hwkH1 ASN 50 HD22 0.00 0.01 0.05 -0.04 7.74 7.75 3hwkH1 SER 51 H 0.04 0.27 -0.11 -0.55 8.46 8.11 3hwkH1 SER 51 HA 0.02 0.16 0.98 -0.75 4.49 4.90 3hwkH1 SER 51 HB2 -0.00 0.16 -0.12 -0.04 3.95 3.95 3hwkH1 SER 51 HB3 0.01 -0.05 -0.03 -0.04 3.93 3.82 3hwkH1 LEU 52 H 0.05 0.15 0.15 -0.55 8.37 8.17 3hwkH1 LEU 52 HA 0.08 0.11 0.72 -0.75 4.35 4.50 3hwkH1 LEU 52 HB2 0.22 -0.04 0.10 -0.04 1.64 1.87 3hwkH1 LEU 52 HB3 0.03 -0.05 0.13 -0.04 1.64 1.71 3hwkH1 LEU 52 HG 0.01 0.03 -0.31 -0.04 1.64 1.33 3hwkH1 LEU 52 HD13 0.24 -0.01 -0.13 -0.04 0.93 0.99 3hwkH1 LEU 52 HD23 0.28 0.03 -0.01 -0.04 0.89 1.16 3hwkH1 THR 53 H 0.06 0.55 0.33 -0.55 8.28 8.68 3hwkH1 THR 53 HA -0.04 0.20 0.84 -0.75 4.39 4.64 3hwkH1 THR 53 HB 0.02 -0.07 -0.46 -0.04 4.32 3.77 3hwkH1 THR 53 HG23 -0.00 0.03 -0.32 -0.04 1.22 0.89 3hwkH1 TYR 54 H 0.04 0.65 0.14 -0.55 8.29 8.56 3hwkH1 TYR 54 HA 0.05 0.17 1.00 -0.75 4.56 5.03 3hwkH1 TYR 54 HB2 0.06 -0.01 0.11 -0.04 3.06 3.17 3hwkH1 TYR 54 HB3 0.02 0.07 -0.03 -0.04 2.98 3.00 3hwkH1 TYR 54 HD2 0.03 0.02 -0.13 -0.04 7.15 7.03 3hwkH1 TYR 54 HE2 0.07 0.13 -0.06 -0.04 6.85 6.96 3hwkH1 ARG 55 H 0.13 0.78 0.25 -0.55 8.46 9.08 3hwkH1 ARG 55 HA 0.05 0.18 0.33 -0.75 4.34 4.16 3hwkH1 ARG 55 HB2 0.17 0.01 -0.17 -0.04 1.90 1.86 3hwkH1 ARG 55 HB3 0.09 0.06 0.15 -0.04 1.80 2.06 3hwkH1 ARG 55 HG2 0.05 -0.03 -0.01 -0.04 1.67 1.64 3hwkH1 ARG 55 HG3 0.05 0.13 -0.18 -0.04 1.67 1.64 3hwkH1 ARG 55 HD2 0.05 -0.02 0.07 -0.04 3.22 3.27 3hwkH1 ARG 55 HD3 0.03 0.16 0.08 -0.04 3.22 3.45 3hwkH1 GLY 56 H 0.04 0.01 -0.55 -0.55 8.43 7.39 3hwkH1 GLY 56 HA2 -0.06 -0.04 0.18 -0.51 4.01 3.57 3hwkH1 GLY 56 HA3 -0.19 0.17 0.41 -0.51 4.01 3.90 3hwkH1 TYR 57 H 0.11 0.56 -0.47 -0.55 8.29 7.94 3hwkH1 TYR 57 HA -0.01 0.18 0.74 -0.75 4.56 4.72 3hwkH1 TYR 57 HB2 0.01 0.05 0.05 -0.04 3.06 3.14 3hwkH1 TYR 57 HB3 -0.02 -0.04 -0.01 -0.04 2.98 2.88 3hwkH1 TYR 57 HD2 0.01 0.07 -0.03 -0.04 7.15 7.16 3hwkH1 TYR 57 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.78 3hwkH1 PRO 58 HA -0.04 0.25 0.58 -0.51 4.44 4.72 3hwkH1 PRO 58 HB2 -0.01 -0.21 0.11 -0.04 2.28 2.13 3hwkH1 PRO 58 HB3 -0.02 0.07 0.09 -0.04 2.02 2.12 3hwkH1 PRO 58 HG2 0.01 0.05 0.09 -0.04 2.03 2.14 3hwkH1 PRO 58 HG3 0.00 0.10 0.05 -0.04 2.03 2.14 3hwkH1 PRO 58 HD2 0.10 0.06 0.23 -0.04 3.68 4.03 3hwkH1 PRO 58 HD3 0.02 0.36 0.28 -0.04 3.65 4.27 3hwkH1 VAL 59 H -0.15 0.75 0.34 -0.55 8.24 8.63 3hwkH1 VAL 59 HA -0.31 0.08 0.33 -0.75 4.13 3.48 3hwkH1 VAL 59 HB -0.21 -0.01 0.09 -0.04 2.12 1.95 3hwkH1 VAL 59 HG13 -0.21 0.02 -0.14 -0.04 0.97 0.60 3hwkH1 VAL 59 HG23 -1.05 0.02 -0.14 -0.04 0.95 -0.25 3hwkH1 GLN 60 H -0.08 0.11 -0.18 -0.55 8.47 7.77 3hwkH1 GLN 60 HA -0.07 0.08 0.38 -0.75 4.36 4.00 3hwkH1 GLN 60 HB2 -0.04 0.04 -0.04 -0.04 2.15 2.07 3hwkH1 GLN 60 HB3 -0.05 0.03 0.06 -0.04 2.02 2.03 3hwkH1 GLN 60 HG2 -0.05 0.12 0.10 -0.04 2.40 2.53 3hwkH1 GLN 60 HG3 -0.06 -0.16 0.13 -0.04 2.39 2.26 3hwkH1 GLN 60 HE21 -0.02 0.07 0.02 -0.04 6.97 7.00 3hwkH1 GLN 60 HE22 -0.03 0.04 0.07 -0.04 7.69 7.73 3hwkH1 ASP 61 H -0.04 0.10 -0.23 -0.55 8.40 7.68 3hwkH1 ASP 61 HA -0.02 0.09 0.49 -0.75 4.63 4.42 3hwkH1 ASP 61 HB2 0.01 0.12 0.14 -0.04 2.71 2.93 3hwkH1 ASP 61 HB3 -0.00 0.02 0.02 -0.04 2.70 2.69 3hwkH1 LEU 62 H -0.04 0.52 -0.07 -0.55 8.37 8.22 3hwkH1 LEU 62 HA -0.06 -0.02 0.26 -0.75 4.35 3.77 3hwkH1 LEU 62 HB2 -0.08 0.09 0.05 -0.04 1.64 1.66 3hwkH1 LEU 62 HB3 -0.02 -0.04 -0.05 -0.04 1.64 1.49 3hwkH1 LEU 62 HG -0.01 0.12 -0.10 -0.04 1.64 1.61 3hwkH1 LEU 62 HD13 0.03 -0.00 -0.12 -0.04 0.93 0.79 3hwkH1 LEU 62 HD23 -0.12 -0.01 -0.07 -0.04 0.89 0.65 3hwkH1 ALA 63 H -0.06 0.51 -0.38 -0.55 8.40 7.93 3hwkH1 ALA 63 HA -0.02 0.04 0.39 -0.75 4.34 3.99 3hwkH1 ALA 63 HB3 -0.06 -0.01 0.09 -0.04 1.41 1.39 3hwkH1 ALA 64 H -0.04 0.42 -0.27 -0.55 8.40 7.97 3hwkH1 ALA 64 HA -0.02 0.07 0.65 -0.75 4.34 4.28 3hwkH1 ALA 64 HB3 -0.03 -0.02 0.13 -0.04 1.41 1.46 3hwkH1 ARG 65 H -0.03 0.33 -0.07 -0.55 8.46 8.14 3hwkH1 ARG 65 HA -0.02 0.19 0.83 -0.75 4.34 4.58 3hwkH1 ARG 65 HB2 -0.04 0.04 -0.03 -0.04 1.90 1.83 3hwkH1 ARG 65 HB3 -0.04 -0.06 0.04 -0.04 1.80 1.70 3hwkH1 ARG 65 HG2 -0.02 0.02 -0.07 -0.04 1.67 1.56 3hwkH1 ARG 65 HG3 -0.02 -0.02 -0.25 -0.04 1.67 1.33 3hwkH1 ARG 65 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.11 3hwkH1 ARG 65 HD3 -0.02 -0.03 -0.05 -0.04 3.22 3.09 3hwkH1 CYS 66 H -0.03 0.45 0.02 -0.55 8.50 8.40 3hwkH1 CYS 66 HA -0.04 0.13 0.95 -0.75 4.58 4.86 3hwkH1 CYS 66 HB2 -0.05 0.33 0.14 -0.04 2.97 3.35 3hwkH1 CYS 66 HB3 -0.06 -0.03 0.03 -0.04 2.97 2.87 3hwkH1 SER 67 H -0.03 0.07 0.18 -0.55 8.46 8.13 3hwkH1 SER 67 HA 0.06 0.25 0.81 -0.75 4.49 4.85 3hwkH1 SER 67 HB2 0.08 -0.12 0.16 -0.04 3.95 4.03 3hwkH1 SER 67 HB3 0.04 0.15 0.11 -0.04 3.93 4.19 3hwkH1 PHE 68 H 0.18 0.17 0.16 -0.55 8.34 8.30 3hwkH1 PHE 68 HA -0.11 0.16 0.46 -0.75 4.62 4.37 3hwkH1 PHE 68 HB2 -0.12 0.10 0.12 -0.04 3.15 3.22 3hwkH1 PHE 68 HB3 -0.20 -0.11 0.12 -0.04 3.06 2.83 3hwkH1 PHE 68 HD2 -0.81 -0.04 -0.13 -0.04 7.28 6.25 3hwkH1 PHE 68 HE2 -0.43 0.13 0.01 -0.04 7.38 7.05 3hwkH1 PHE 68 HZ -0.24 0.16 0.17 -0.04 7.32 7.37 3hwkH1 GLU 69 H 0.07 0.03 -0.10 -0.55 8.60 8.05 3hwkH1 GLU 69 HA 0.01 0.15 0.36 -0.75 4.29 4.05 3hwkH1 GLU 69 HB2 0.08 -0.07 0.08 -0.04 2.09 2.13 3hwkH1 GLU 69 HB3 0.22 0.09 -0.03 -0.04 1.99 2.23 3hwkH1 GLU 69 HG2 0.26 0.09 0.04 -0.04 2.34 2.70 3hwkH1 GLU 69 HG3 0.26 0.09 0.04 -0.04 2.34 2.69 3hwkH1 GLN 70 H -0.09 0.02 -0.26 -0.55 8.47 7.60 3hwkH1 GLN 70 HA -0.27 0.06 0.46 -0.75 4.36 3.85 3hwkH1 GLN 70 HB2 -0.11 0.07 0.18 -0.04 2.15 2.25 3hwkH1 GLN 70 HB3 -0.16 0.07 0.02 -0.04 2.02 1.90 3hwkH1 GLN 70 HG2 -0.21 0.08 0.07 -0.04 2.40 2.30 3hwkH1 GLN 70 HG3 -0.12 -0.10 0.06 -0.04 2.39 2.20 3hwkH1 GLN 70 HE21 -0.09 0.07 0.03 -0.04 6.97 6.94 3hwkH1 GLN 70 HE22 -0.13 0.03 0.01 -0.04 7.69 7.56 3hwkH1 VAL 71 H -0.17 0.42 -0.15 -0.55 8.24 7.79 3hwkH1 VAL 71 HA -0.11 0.04 0.43 -0.75 4.13 3.73 3hwkH1 VAL 71 HB -0.17 0.07 0.11 -0.04 2.12 2.08 3hwkH1 VAL 71 HG13 0.04 0.01 -0.08 -0.04 0.97 0.90 3hwkH1 VAL 71 HG23 0.00 0.03 -0.07 -0.04 0.95 0.87 3hwkH1 ALA 72 H -0.58 0.69 -0.05 -0.55 8.40 7.91 3hwkH1 ALA 72 HA -0.90 0.02 0.47 -0.75 4.34 3.18 3hwkH1 ALA 72 HB3 -0.81 0.02 0.08 -0.04 1.41 0.65 3hwkH1 PHE 73 H -0.38 0.59 -0.10 -0.55 8.34 7.89 3hwkH1 PHE 73 HA -0.19 -0.00 0.36 -0.75 4.62 4.03 3hwkH1 PHE 73 HB2 -1.29 0.01 0.13 -0.04 3.15 1.96 3hwkH1 PHE 73 HB3 -0.46 0.14 0.20 -0.04 3.06 2.89 3hwkH1 PHE 73 HD2 -0.52 0.11 -0.23 -0.04 7.28 6.61 3hwkH1 PHE 73 HE2 0.01 0.05 -0.17 -0.04 7.38 7.22 3hwkH1 PHE 73 HZ 0.00 -0.03 -0.05 -0.04 7.32 7.21 3hwkH1 LEU 74 H -0.07 0.49 -0.19 -0.55 8.37 8.06 3hwkH1 LEU 74 HA 0.14 0.21 0.32 -0.75 4.35 4.26 3hwkH1 LEU 74 HB2 -0.02 -0.03 -0.01 -0.04 1.64 1.54 3hwkH1 LEU 74 HB3 -0.05 0.04 0.15 -0.04 1.64 1.73 3hwkH1 LEU 74 HG 0.09 0.02 -0.42 -0.04 1.64 1.28 3hwkH1 LEU 74 HD13 0.20 -0.02 -0.29 -0.04 0.93 0.78 3hwkH1 LEU 74 HD23 0.10 0.01 -0.09 -0.04 0.89 0.87 3hwkH1 LEU 75 H -0.24 0.70 -0.09 -0.55 8.37 8.19 3hwkH1 LEU 75 HA -0.11 -0.02 0.36 -0.75 4.35 3.82 3hwkH1 LEU 75 HB2 -0.60 0.12 0.13 -0.04 1.64 1.25 3hwkH1 LEU 75 HB3 -0.33 -0.05 -0.06 -0.04 1.64 1.15 3hwkH1 LEU 75 HG -0.32 0.08 0.02 -0.04 1.64 1.39 3hwkH1 LEU 75 HD13 -0.51 -0.03 -0.17 -0.04 0.93 0.19 3hwkH1 LEU 75 HD23 -0.46 -0.03 -0.06 -0.04 0.89 0.30 3hwkH1 TRP 76 H -0.17 0.44 -0.28 -0.55 7.97 7.42 3hwkH1 TRP 76 HA -0.07 0.04 0.46 -0.75 4.62 4.30 3hwkH1 TRP 76 HB2 -0.14 0.07 0.10 -0.04 3.23 3.22 3hwkH1 TRP 76 HB3 -0.10 -0.07 0.00 -0.04 3.23 3.02 3hwkH1 TRP 76 HD1 -0.04 -0.01 -0.09 -0.04 7.22 7.05 3hwkH1 TRP 76 HE1 0.00 -0.02 0.04 -0.04 10.20 10.18 3hwkH1 TRP 76 HE3 0.16 -0.01 -0.12 -0.04 7.59 7.58 3hwkH1 TRP 76 HZ2 0.01 0.03 -0.13 -0.04 7.44 7.31 3hwkH1 TRP 76 HZ3 0.15 -0.03 -0.10 -0.04 7.13 7.11 3hwkH1 TRP 76 HH2 0.01 0.04 -0.17 -0.04 7.19 7.03 3hwkH1 ARG 77 H -0.02 0.51 0.03 -0.55 8.46 8.43 3hwkH1 ARG 77 HA -0.02 0.14 0.62 -0.75 4.34 4.32 3hwkH1 ARG 77 HB2 -0.15 0.06 0.05 -0.04 1.90 1.81 3hwkH1 ARG 77 HB3 -0.11 -0.07 0.06 -0.04 1.80 1.63 3hwkH1 ARG 77 HG2 -0.41 0.03 0.01 -0.04 1.67 1.26 3hwkH1 ARG 77 HG3 -1.69 -0.09 -0.01 -0.04 1.67 -0.16 3hwkH1 ARG 77 HD2 -0.19 -0.02 -0.02 -0.04 3.22 2.94 3hwkH1 ARG 77 HD3 -0.13 0.06 -0.13 -0.04 3.22 2.98 3hwkH1 GLY 78 H 0.04 0.58 0.07 -0.55 8.43 8.58 3hwkH1 GLY 78 HA2 0.06 0.05 0.31 -0.51 4.01 3.92 3hwkH1 GLY 78 HA3 0.05 0.08 0.56 -0.51 4.01 4.18 3hwkH1 GLU 79 H 0.14 0.19 -0.11 -0.55 8.60 8.28 3hwkH1 GLU 79 HA 0.18 0.11 0.48 -0.75 4.29 4.30 3hwkH1 GLU 79 HB2 0.16 -0.03 -0.11 -0.04 2.09 2.08 3hwkH1 GLU 79 HB3 0.12 -0.04 0.09 -0.04 1.99 2.12 3hwkH1 GLU 79 HG2 0.09 0.05 -0.52 -0.04 2.34 1.92 3hwkH1 GLU 79 HG3 0.08 -0.07 -0.07 -0.04 2.34 2.24 3hwkH1 LEU 80 H 0.09 0.10 0.08 -0.55 8.37 8.09 3hwkH1 LEU 80 HA -0.08 0.13 0.63 -0.75 4.35 4.27 3hwkH1 LEU 80 HB2 -0.11 -0.04 0.07 -0.04 1.64 1.52 3hwkH1 LEU 80 HB3 -0.19 0.09 0.03 -0.04 1.64 1.52 3hwkH1 LEU 80 HG -0.43 0.00 -0.01 -0.04 1.64 1.16 3hwkH1 LEU 80 HD13 -0.52 -0.00 -0.01 -0.04 0.93 0.36 3hwkH1 LEU 80 HD23 -0.29 0.01 -0.02 -0.04 0.89 0.55 3hwkH1 PRO 81 HA -0.62 0.11 0.67 -0.51 4.44 4.09 3hwkH1 PRO 81 HB2 -0.74 -0.02 -0.06 -0.04 2.28 1.41 3hwkH1 PRO 81 HB3 -2.74 0.07 0.00 -0.04 2.02 -0.69 3hwkH1 PRO 81 HG2 -0.42 -0.01 0.05 -0.04 2.03 1.61 3hwkH1 PRO 81 HG3 -0.66 0.00 0.06 -0.04 2.03 1.39 3hwkH1 PRO 81 HD2 -0.31 0.04 0.24 -0.04 3.68 3.61 3hwkH1 PRO 81 HD3 -0.40 0.24 0.21 -0.04 3.65 3.67 3hwkH1 THR 82 H -0.18 0.10 0.15 -0.55 8.28 7.79 3hwkH1 THR 82 HA -0.10 0.23 0.62 -0.75 4.39 4.38 3hwkH1 THR 82 HB -0.04 -0.01 0.20 -0.04 4.32 4.42 3hwkH1 THR 82 HG23 -0.03 0.07 0.07 -0.04 1.22 1.28 3hwkH1 ASP 83 H -0.06 0.22 0.15 -0.55 8.40 8.16 3hwkH1 ASP 83 HA -0.07 0.12 0.48 -0.75 4.63 4.40 3hwkH1 ASP 83 HB2 -0.03 -0.02 0.13 -0.04 2.71 2.75 3hwkH1 ASP 83 HB3 -0.02 0.06 0.04 -0.04 2.70 2.74 3hwkH1 ALA 84 H -0.03 0.07 -0.16 -0.55 8.40 7.73 3hwkH1 ALA 84 HA 0.00 0.14 0.46 -0.75 4.34 4.20 3hwkH1 ALA 84 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 3hwkH1 GLU 85 H -0.05 0.01 -0.18 -0.55 8.60 7.83 3hwkH1 GLU 85 HA 0.08 0.10 0.37 -0.75 4.29 4.09 3hwkH1 GLU 85 HB2 -0.21 -0.13 0.18 -0.04 2.09 1.89 3hwkH1 GLU 85 HB3 -0.06 0.09 0.02 -0.04 1.99 2.01 3hwkH1 GLU 85 HG2 0.16 0.09 0.04 -0.04 2.34 2.58 3hwkH1 GLU 85 HG3 0.04 -0.07 0.04 -0.04 2.34 2.31 3hwkH1 LEU 86 H -0.15 0.60 -0.28 -0.55 8.37 8.00 3hwkH1 LEU 86 HA -0.12 0.02 0.34 -0.75 4.35 3.84 3hwkH1 LEU 86 HB2 -0.20 0.11 0.01 -0.04 1.64 1.52 3hwkH1 LEU 86 HB3 -0.07 0.10 0.10 -0.04 1.64 1.74 3hwkH1 LEU 86 HG 0.02 -0.01 -0.21 -0.04 1.64 1.40 3hwkH1 LEU 86 HD13 -0.10 -0.03 -0.06 -0.04 0.93 0.70 3hwkH1 LEU 86 HD23 -0.05 0.00 -0.02 -0.04 0.89 0.78 3hwkH1 ALA 87 H 0.01 0.43 -0.22 -0.55 8.40 8.08 3hwkH1 ALA 87 HA 0.07 -0.00 0.25 -0.75 4.34 3.90 3hwkH1 ALA 87 HB3 0.03 0.04 0.11 -0.04 1.41 1.55 3hwkH1 LEU 88 H 0.09 0.40 -0.23 -0.55 8.37 8.09 3hwkH1 LEU 88 HA 0.08 0.07 0.57 -0.75 4.35 4.32 3hwkH1 LEU 88 HB2 0.14 0.08 0.11 -0.04 1.64 1.93 3hwkH1 LEU 88 HB3 0.10 -0.01 0.02 -0.04 1.64 1.71 3hwkH1 LEU 88 HG 0.06 0.14 0.06 -0.04 1.64 1.87 3hwkH1 LEU 88 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.90 3hwkH1 LEU 88 HD23 0.05 -0.01 -0.03 -0.04 0.89 0.87 3hwkH1 PHE 89 H 0.31 0.57 -0.05 -0.55 8.34 8.61 3hwkH1 PHE 89 HA 0.14 0.02 0.43 -0.75 4.62 4.45 3hwkH1 PHE 89 HB2 0.34 0.03 0.12 -0.04 3.15 3.60 3hwkH1 PHE 89 HB3 0.16 0.08 0.23 -0.04 3.06 3.50 3hwkH1 PHE 89 HD2 0.19 -0.00 -0.11 -0.04 7.28 7.32 3hwkH1 PHE 89 HE2 0.23 -0.04 -0.03 -0.04 7.38 7.50 3hwkH1 PHE 89 HZ 0.14 -0.01 -0.10 -0.04 7.32 7.31 3hwkH1 SER 90 H 0.29 0.80 -0.06 -0.55 8.46 8.95 3hwkH1 SER 90 HA 0.19 -0.04 0.35 -0.75 4.49 4.24 3hwkH1 SER 90 HB2 0.21 -0.12 0.05 -0.04 3.95 4.04 3hwkH1 SER 90 HB3 0.14 0.13 0.06 -0.04 3.93 4.22 3hwkH1 GLN 91 H 0.10 0.38 -0.31 -0.55 8.47 8.10 3hwkH1 GLN 91 HA 0.05 0.03 0.51 -0.75 4.36 4.20 3hwkH1 GLN 91 HB2 0.06 0.20 0.23 -0.04 2.15 2.60 3hwkH1 GLN 91 HB3 0.05 0.08 0.15 -0.04 2.02 2.26 3hwkH1 GLN 91 HG2 0.04 -0.03 0.01 -0.04 2.40 2.38 3hwkH1 GLN 91 HG3 0.03 -0.02 -0.03 -0.04 2.39 2.34 3hwkH1 GLN 91 HE21 0.05 0.00 -0.01 -0.04 6.97 6.97 3hwkH1 GLN 91 HE22 0.05 0.08 0.04 -0.04 7.69 7.82 3hwkH1 ARG 92 H 0.02 0.58 -0.11 -0.55 8.46 8.40 3hwkH1 ARG 92 HA -0.01 0.01 0.37 -0.75 4.34 3.96 3hwkH1 ARG 92 HB2 -0.13 0.13 0.19 -0.04 1.90 2.05 3hwkH1 ARG 92 HB3 -0.08 -0.04 -0.02 -0.04 1.80 1.62 3hwkH1 ARG 92 HG2 0.00 -0.04 0.02 -0.04 1.67 1.61 3hwkH1 ARG 92 HG3 0.03 0.18 0.04 -0.04 1.67 1.87 3hwkH1 ARG 92 HD2 -0.03 -0.01 -0.02 -0.04 3.22 3.12 3hwkH1 ARG 92 HD3 0.02 -0.04 -0.03 -0.04 3.22 3.13 3hwkH1 GLU 93 H -0.11 0.52 -0.12 -0.55 8.60 8.34 3hwkH1 GLU 93 HA -0.02 0.05 0.36 -0.75 4.29 3.92 3hwkH1 GLU 93 HB2 -0.20 0.00 0.08 -0.04 2.09 1.94 3hwkH1 GLU 93 HB3 0.05 0.06 0.14 -0.04 1.99 2.20 3hwkH1 GLU 93 HG2 0.14 0.04 -0.00 -0.04 2.34 2.48 3hwkH1 GLU 93 HG3 0.19 -0.09 -0.04 -0.04 2.34 2.36 3hwkH1 ARG 94 H 0.05 0.60 -0.10 -0.55 8.46 8.45 3hwkH1 ARG 94 HA 0.07 0.02 0.46 -0.75 4.34 4.14 3hwkH1 ARG 94 HB2 0.05 0.09 0.15 -0.04 1.90 2.15 3hwkH1 ARG 94 HB3 0.06 -0.08 0.09 -0.04 1.80 1.82 3hwkH1 ARG 94 HG2 0.10 -0.04 0.02 -0.04 1.67 1.71 3hwkH1 ARG 94 HG3 0.09 0.29 0.13 -0.04 1.67 2.14 3hwkH1 ARG 94 HD2 0.07 -0.04 -0.05 -0.04 3.22 3.15 3hwkH1 ARG 94 HD3 0.08 0.17 -0.02 -0.04 3.22 3.40 3hwkH1 ALA 95 H 0.02 0.43 -0.39 -0.55 8.40 7.92 3hwkH1 ALA 95 HA 0.02 0.04 0.59 -0.75 4.34 4.24 3hwkH1 ALA 95 HB3 0.02 0.00 0.10 -0.04 1.41 1.49 3hwkH1 SER 96 H 0.03 0.42 -0.44 -0.55 8.46 7.93 3hwkH1 SER 96 HA 0.03 0.15 0.88 -0.75 4.49 4.80 3hwkH1 SER 96 HB2 0.03 0.06 0.04 -0.04 3.95 4.04 3hwkH1 SER 96 HB3 0.03 -0.09 0.13 -0.04 3.93 3.96 3hwkH1 ARG 97 H 0.04 0.17 -0.25 -0.55 8.46 7.87 3hwkH1 ARG 97 HA 0.07 0.18 0.22 -0.75 4.34 4.06 3hwkH1 ARG 97 HB2 0.05 0.03 0.01 -0.04 1.90 1.94 3hwkH1 ARG 97 HB3 0.05 -0.07 0.01 -0.04 1.80 1.74 3hwkH1 ARG 97 HG2 0.08 0.15 0.05 -0.04 1.67 1.91 3hwkH1 ARG 97 HG3 0.08 0.18 0.04 -0.04 1.67 1.93 3hwkH1 ARG 97 HD2 0.06 0.06 -0.03 -0.04 3.22 3.28 3hwkH1 ARG 97 HD3 0.05 -0.09 -0.03 -0.04 3.22 3.12 3hwkH1 ARG 98 H 0.03 0.05 -0.21 -0.55 8.46 7.78 3hwkH1 ARG 98 HA 0.03 0.06 0.39 -0.75 4.34 4.07 3hwkH1 ARG 98 HB2 0.02 -0.00 -0.02 -0.04 1.90 1.86 3hwkH1 ARG 98 HB3 0.02 0.03 -0.03 -0.04 1.80 1.78 3hwkH1 ARG 98 HG2 0.02 0.03 -0.02 -0.04 1.67 1.66 3hwkH1 ARG 98 HG3 0.02 -0.01 -0.02 -0.04 1.67 1.63 3hwkH1 ARG 98 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 3hwkH1 ARG 98 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 3hwkH1 VAL 99 H 0.02 0.17 0.19 -0.55 8.24 8.07 3hwkH1 VAL 99 HA 0.04 0.18 0.87 -0.75 4.13 4.47 3hwkH1 VAL 99 HB 0.02 -0.08 0.03 -0.04 2.12 2.05 3hwkH1 VAL 99 HG13 0.04 0.04 -0.07 -0.04 0.97 0.93 3hwkH1 VAL 99 HG23 0.01 0.01 -0.04 -0.04 0.95 0.89 3hwkH1 ASP 100 H 0.03 0.11 0.11 -0.55 8.40 8.11 3hwkH1 ASP 100 HA 0.02 0.19 0.54 -0.75 4.63 4.63 3hwkH1 ASP 100 HB2 0.04 -0.04 0.11 -0.04 2.71 2.79 3hwkH1 ASP 100 HB3 0.03 -0.12 0.13 -0.04 2.70 2.70 3hwkH1 ARG 101 H 0.01 0.20 0.16 -0.55 8.46 8.28 3hwkH1 ARG 101 HA -0.00 0.15 0.41 -0.75 4.34 4.14 3hwkH1 ARG 101 HB2 0.01 -0.03 0.14 -0.04 1.90 1.97 3hwkH1 ARG 101 HB3 -0.00 0.06 -0.02 -0.04 1.80 1.80 3hwkH1 ARG 101 HG2 -0.00 0.06 0.04 -0.04 1.67 1.72 3hwkH1 ARG 101 HG3 0.00 0.00 0.07 -0.04 1.67 1.70 3hwkH1 ARG 101 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 3hwkH1 ARG 101 HD3 -0.00 0.02 -0.00 -0.04 3.22 3.19 3hwkH1 SER 102 H 0.02 0.07 -0.14 -0.55 8.46 7.87 3hwkH1 SER 102 HA 0.00 0.12 0.47 -0.75 4.49 4.33 3hwkH1 SER 102 HB2 0.07 -0.06 0.04 -0.04 3.95 3.96 3hwkH1 SER 102 HB3 0.13 0.08 -0.10 -0.04 3.93 4.00 3hwkH1 MET 103 H 0.01 0.08 -0.28 -0.55 8.47 7.74 3hwkH1 MET 103 HA -0.18 0.08 0.51 -0.75 4.52 4.18 3hwkH1 MET 103 HB2 0.03 -0.02 0.08 -0.04 2.15 2.20 3hwkH1 MET 103 HB3 0.01 0.09 0.09 -0.04 2.03 2.18 3hwkH1 MET 103 HG2 0.02 0.04 -0.03 -0.04 2.63 2.62 3hwkH1 MET 103 HG3 -0.02 0.04 -0.24 -0.04 2.56 2.30 3hwkH1 MET 103 HE3 0.11 0.02 -0.01 -0.04 2.10 2.18 3hwkH1 LEU 104 H -0.02 0.44 -0.15 -0.55 8.37 8.09 3hwkH1 LEU 104 HA -0.03 0.04 0.27 -0.75 4.35 3.87 3hwkH1 LEU 104 HB2 -0.02 0.04 0.11 -0.04 1.64 1.74 3hwkH1 LEU 104 HB3 -0.02 0.02 -0.02 -0.04 1.64 1.59 3hwkH1 LEU 104 HG -0.01 0.09 -0.11 -0.04 1.64 1.57 3hwkH1 LEU 104 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.80 3hwkH1 LEU 104 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.79 3hwkH1 SER 105 H -0.05 0.34 -0.46 -0.55 8.46 7.75 3hwkH1 SER 105 HA -0.03 0.06 0.46 -0.75 4.49 4.22 3hwkH1 SER 105 HB2 -0.02 -0.04 0.06 -0.04 3.95 3.91 3hwkH1 SER 105 HB3 -0.04 0.08 0.19 -0.04 3.93 4.12 3hwkH1 LEU 106 H -0.14 0.45 -0.07 -0.55 8.37 8.06 3hwkH1 LEU 106 HA -0.13 0.01 0.46 -0.75 4.35 3.93 3hwkH1 LEU 106 HB2 -0.50 -0.02 0.12 -0.04 1.64 1.20 3hwkH1 LEU 106 HB3 -0.31 0.12 0.22 -0.04 1.64 1.63 3hwkH1 LEU 106 HG -0.16 0.03 -0.32 -0.04 1.64 1.16 3hwkH1 LEU 106 HD13 -0.16 -0.01 -0.02 -0.04 0.93 0.69 3hwkH1 LEU 106 HD23 -0.46 -0.02 -0.09 -0.04 0.89 0.28 3hwkH1 LEU 107 H -0.09 0.56 -0.11 -0.55 8.37 8.18 3hwkH1 LEU 107 HA -0.05 -0.01 0.35 -0.75 4.35 3.89 3hwkH1 LEU 107 HB2 -0.04 0.08 0.03 -0.04 1.64 1.68 3hwkH1 LEU 107 HB3 -0.03 0.02 -0.05 -0.04 1.64 1.54 3hwkH1 LEU 107 HG -0.06 0.13 -0.02 -0.04 1.64 1.65 3hwkH1 LEU 107 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.79 3hwkH1 LEU 107 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.74 3hwkH1 ALA 108 H -0.04 0.37 -0.27 -0.55 8.40 7.92 3hwkH1 ALA 108 HA -0.02 0.11 0.52 -0.75 4.34 4.19 3hwkH1 ALA 108 HB3 -0.02 -0.02 0.09 -0.04 1.41 1.42 3hwkH1 LYS 109 H -0.04 0.30 -0.34 -0.55 8.42 7.78 3hwkH1 LYS 109 HA -0.02 0.03 0.49 -0.75 4.32 4.06 3hwkH1 LYS 109 HB2 -0.04 0.14 0.17 -0.04 1.87 2.10 3hwkH1 LYS 109 HB3 -0.02 -0.10 -0.08 -0.04 1.79 1.54 3hwkH1 LYS 109 HG2 -0.01 -0.07 0.01 -0.04 1.46 1.35 3hwkH1 LYS 109 HG3 -0.02 0.00 -0.02 -0.04 1.46 1.38 3hwkH1 LYS 109 HD2 -0.03 0.06 -0.14 -0.04 1.69 1.54 3hwkH1 LYS 109 HD3 -0.02 -0.06 -0.05 -0.04 1.68 1.51 3hwkH1 LYS 109 HE2 -0.01 -0.06 -0.05 -0.04 2.99 2.83 3hwkH1 LYS 109 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 3hwkH1 LEU 110 H -0.03 0.30 -0.16 -0.55 8.37 7.93 3hwkH1 LEU 110 HA -0.01 -0.05 0.40 -0.75 4.35 3.94 3hwkH1 LEU 110 HB2 -0.02 0.19 0.06 -0.04 1.64 1.83 3hwkH1 LEU 110 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.54 3hwkH1 LEU 110 HG -0.04 0.14 0.02 -0.04 1.64 1.72 3hwkH1 LEU 110 HD13 -0.02 -0.05 -0.04 -0.04 0.93 0.78 3hwkH1 LEU 110 HD23 -0.00 -0.04 -0.02 -0.04 0.89 0.79 3hwkH1 PRO 111 HA 0.00 0.14 0.32 -0.51 4.44 4.39 3hwkH1 PRO 111 HB2 0.01 -0.15 -0.02 -0.04 2.28 2.08 3hwkH1 PRO 111 HB3 0.01 0.03 0.10 -0.04 2.02 2.11 3hwkH1 PRO 111 HG2 0.01 -0.02 0.06 -0.04 2.03 2.03 3hwkH1 PRO 111 HG3 0.01 0.09 0.08 -0.04 2.03 2.17 3hwkH1 PRO 111 HD2 0.01 0.02 0.13 -0.04 3.68 3.79 3hwkH1 PRO 111 HD3 0.00 0.11 0.21 -0.04 3.65 3.93 3hwkH1 ASP 112 H 0.00 0.12 0.16 -0.55 8.40 8.13 3hwkH1 ASP 112 HA -0.00 0.19 0.41 -0.75 4.63 4.47 3hwkH1 ASP 112 HB2 0.00 -0.09 0.07 -0.04 2.71 2.65 3hwkH1 ASP 112 HB3 0.00 0.05 0.05 -0.04 2.70 2.75 3hwkH1 ASN 113 H 0.01 -0.03 -0.35 -0.55 8.53 7.62 3hwkH1 ASN 113 HA 0.01 0.28 0.71 -0.75 4.76 5.01 3hwkH1 ASN 113 HB2 0.02 -0.02 0.13 -0.04 2.88 2.96 3hwkH1 ASN 113 HB3 0.01 0.06 -0.06 -0.04 2.79 2.76 3hwkH1 ASN 113 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.99 3hwkH1 ASN 113 HD22 0.01 0.03 -0.02 -0.04 7.74 7.72 3hwkH1 CYS 114 H 0.02 0.28 -0.30 -0.55 8.50 7.95 3hwkH1 CYS 114 HA 0.05 0.06 0.68 -0.75 4.58 4.61 3hwkH1 CYS 114 HB2 0.05 -0.09 0.08 -0.04 2.97 2.97 3hwkH1 CYS 114 HB3 0.03 -0.03 0.04 -0.04 2.97 2.97 3hwkH1 HIS 115 H 0.15 0.07 0.13 -0.55 8.41 8.21 3hwkH1 HIS 115 HA 0.03 0.22 0.53 -0.75 4.63 4.66 3hwkH1 HIS 115 HB2 0.03 0.08 0.15 -0.04 3.26 3.49 3hwkH1 HIS 115 HB3 0.03 -0.13 0.14 -0.04 3.20 3.20 3hwkH1 HIS 115 HD2 0.05 0.05 0.06 -0.04 6.97 7.09 3hwkH1 HIS 115 HE1 0.06 -0.01 0.04 -0.04 7.75 7.79 3hwkH1 PRO 116 HA -0.04 0.13 0.36 -0.51 4.44 4.38 3hwkH1 PRO 116 HB2 -0.17 0.03 0.06 -0.04 2.28 2.16 3hwkH1 PRO 116 HB3 -0.06 0.03 0.03 -0.04 2.02 1.97 3hwkH1 PRO 116 HG2 -0.19 0.05 -0.06 -0.04 2.03 1.79 3hwkH1 PRO 116 HG3 -0.11 0.14 0.01 -0.04 2.03 2.03 3hwkH1 PRO 116 HD2 -0.83 0.04 0.27 -0.04 3.68 3.12 3hwkH1 PRO 116 HD3 -0.19 0.34 0.25 -0.04 3.65 4.02 3hwkH1 MET 117 H 0.21 0.13 -0.36 -0.55 8.47 7.90 3hwkH1 MET 117 HA 0.11 0.07 0.50 -0.75 4.52 4.45 3hwkH1 MET 117 HB2 0.44 0.01 0.02 -0.04 2.15 2.58 3hwkH1 MET 117 HB3 0.14 0.06 -0.05 -0.04 2.03 2.13 3hwkH1 MET 117 HG2 0.28 -0.01 -0.06 -0.04 2.63 2.80 3hwkH1 MET 117 HG3 0.22 0.06 -0.04 -0.04 2.56 2.76 3hwkH1 MET 117 HE3 0.07 0.02 -0.16 -0.04 2.10 1.99 3hwkH1 ASP 118 H 0.16 0.38 -0.18 -0.55 8.40 8.21 3hwkH1 ASP 118 HA 0.06 0.03 0.48 -0.75 4.63 4.44 3hwkH1 ASP 118 HB2 0.06 0.20 -0.01 -0.04 2.71 2.92 3hwkH1 ASP 118 HB3 0.05 -0.01 0.01 -0.04 2.70 2.71 3hwkH1 VAL 119 H 0.05 0.27 -0.39 -0.55 8.24 7.61 3hwkH1 VAL 119 HA 0.02 0.09 0.45 -0.75 4.13 3.93 3hwkH1 VAL 119 HB 0.02 0.16 0.11 -0.04 2.12 2.37 3hwkH1 VAL 119 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 3hwkH1 VAL 119 HG23 0.01 0.03 -0.08 -0.04 0.95 0.86 3hwkH1 VAL 120 H 0.05 0.37 -0.10 -0.55 8.24 8.01 3hwkH1 VAL 120 HA 0.06 0.05 0.42 -0.75 4.13 3.91 3hwkH1 VAL 120 HB 0.08 0.05 0.16 -0.04 2.12 2.37 3hwkH1 VAL 120 HG13 0.10 -0.01 -0.13 -0.04 0.97 0.90 3hwkH1 VAL 120 HG23 0.05 0.02 0.01 -0.04 0.95 0.99 3hwkH1 ARG 121 H 0.06 0.73 -0.07 -0.55 8.46 8.63 3hwkH1 ARG 121 HA 0.05 -0.02 0.40 -0.75 4.34 4.02 3hwkH1 ARG 121 HB2 0.04 0.11 0.07 -0.04 1.90 2.09 3hwkH1 ARG 121 HB3 0.04 0.05 0.10 -0.04 1.80 1.95 3hwkH1 ARG 121 HG2 0.02 -0.02 -0.15 -0.04 1.67 1.48 3hwkH1 ARG 121 HG3 0.00 0.03 0.01 -0.04 1.67 1.68 3hwkH1 ARG 121 HD2 -0.00 -0.01 -0.05 -0.04 3.22 3.12 3hwkH1 ARG 121 HD3 0.01 -0.02 -0.09 -0.04 3.22 3.08 3hwkH1 THR 122 H 0.04 0.66 -0.23 -0.55 8.28 8.20 3hwkH1 THR 122 HA 0.05 -0.01 0.49 -0.75 4.39 4.17 3hwkH1 THR 122 HB 0.02 0.09 0.12 -0.04 4.32 4.51 3hwkH1 THR 122 HG23 0.03 -0.02 -0.05 -0.04 1.22 1.14 3hwkH1 ALA 123 H 0.05 0.72 -0.12 -0.55 8.40 8.51 3hwkH1 ALA 123 HA 0.05 -0.02 0.32 -0.75 4.34 3.94 3hwkH1 ALA 123 HB3 0.04 0.01 0.08 -0.04 1.41 1.50 3hwkH1 ILE 124 H 0.09 0.67 -0.15 -0.55 8.25 8.32 3hwkH1 ILE 124 HA 0.17 0.02 0.42 -0.75 4.18 4.04 3hwkH1 ILE 124 HB 0.11 0.16 0.07 -0.04 1.89 2.18 3hwkH1 ILE 124 HG12 0.12 0.05 0.00 -0.04 1.49 1.62 3hwkH1 ILE 124 HG13 0.14 -0.04 -0.08 -0.04 1.21 1.19 3hwkH1 ILE 124 HG23 0.17 -0.03 -0.18 -0.04 0.93 0.86 3hwkH1 ILE 124 HD13 0.15 -0.01 -0.03 -0.04 0.88 0.95 3hwkH1 SER 125 H 0.09 0.46 -0.21 -0.55 8.46 8.25 3hwkH1 SER 125 HA 0.05 -0.03 0.46 -0.75 4.49 4.22 3hwkH1 SER 125 HB2 0.04 -0.01 0.10 -0.04 3.95 4.04 3hwkH1 SER 125 HB3 0.06 0.18 0.17 -0.04 3.93 4.30 3hwkH1 TYR 126 H 0.17 0.62 -0.15 -0.55 8.29 8.37 3hwkH1 TYR 126 HA -0.04 0.01 0.49 -0.75 4.56 4.26 3hwkH1 TYR 126 HB2 -0.00 0.11 0.09 -0.04 3.06 3.22 3hwkH1 TYR 126 HB3 -0.00 0.14 0.12 -0.04 2.98 3.20 3hwkH1 TYR 126 HD2 -0.01 0.02 -0.13 -0.04 7.15 6.98 3hwkH1 TYR 126 HE2 -0.01 -0.04 -0.09 -0.04 6.85 6.66 3hwkH1 LEU 127 H 0.13 0.57 -0.10 -0.55 8.37 8.42 3hwkH1 LEU 127 HA 0.02 -0.00 0.36 -0.75 4.35 3.96 3hwkH1 LEU 127 HB2 0.17 0.10 0.14 -0.04 1.64 2.01 3hwkH1 LEU 127 HB3 0.14 -0.05 -0.07 -0.04 1.64 1.62 3hwkH1 LEU 127 HG 0.14 0.13 0.02 -0.04 1.64 1.88 3hwkH1 LEU 127 HD13 0.17 -0.01 -0.07 -0.04 0.93 0.98 3hwkH1 LEU 127 HD23 0.11 -0.02 -0.01 -0.04 0.89 0.93 3hwkH1 GLY 128 H -0.25 0.43 -0.34 -0.55 8.43 7.72 3hwkH1 GLY 128 HA2 -1.80 -0.03 0.47 -0.51 4.01 2.14 3hwkH1 GLY 128 HA3 -0.60 -0.00 0.28 -0.51 4.01 3.18 3hwkH1 ALA 129 H -0.25 0.47 -0.11 -0.55 8.40 7.96 3hwkH1 ALA 129 HA -0.19 -0.01 0.42 -0.75 4.34 3.81 3hwkH1 ALA 129 HB3 -0.28 0.03 0.10 -0.04 1.41 1.23 3hwkH1 GLU 130 H -0.27 0.34 -0.39 -0.55 8.60 7.73 3hwkH1 GLU 130 HA -0.16 0.05 0.51 -0.75 4.29 3.94 3hwkH1 GLU 130 HB2 -0.11 0.09 0.10 -0.04 2.09 2.13 3hwkH1 GLU 130 HB3 -0.06 -0.07 0.07 -0.04 1.99 1.88 3hwkH1 GLU 130 HG2 -0.36 0.05 -0.06 -0.04 2.34 1.94 3hwkH1 GLU 130 HG3 0.01 -0.10 -0.03 -0.04 2.34 2.18 3hwkH1 ASP 131 H -0.24 0.45 -0.38 -0.55 8.40 7.67 3hwkH1 ASP 131 HA -0.06 0.15 0.68 -0.75 4.63 4.64 3hwkH1 ASP 131 HB2 -0.20 0.19 0.09 -0.04 2.71 2.75 3hwkH1 ASP 131 HB3 -0.24 -0.01 0.24 -0.04 2.70 2.65 3hwkH1 PRO 132 HA -0.04 0.13 0.38 -0.51 4.44 4.40 3hwkH1 PRO 132 HB2 -0.02 -0.00 -0.00 -0.04 2.28 2.22 3hwkH1 PRO 132 HB3 -0.03 0.05 0.12 -0.04 2.02 2.12 3hwkH1 PRO 132 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 3hwkH1 PRO 132 HG3 -0.02 0.05 0.10 -0.04 2.03 2.13 3hwkH1 PRO 132 HD2 -0.02 0.05 0.30 -0.04 3.68 3.96 3hwkH1 PRO 132 HD3 -0.04 0.37 0.29 -0.04 3.65 4.23 3hwkH1 ASP 133 H -0.00 0.11 -0.41 -0.55 8.40 7.55 3hwkH1 ASP 133 HA -0.00 0.16 0.72 -0.75 4.63 4.76 3hwkH1 ASP 133 HB2 0.03 0.03 -0.01 -0.04 2.71 2.71 3hwkH1 ASP 133 HB3 0.01 -0.02 0.13 -0.04 2.70 2.77 3hwkH1 GLU 134 H -0.01 0.64 -0.27 -0.55 8.60 8.41 3hwkH1 GLU 134 HA 0.19 -0.04 0.33 -0.75 4.29 4.01 3hwkH1 GLU 134 HB2 -0.14 0.34 0.24 -0.04 2.09 2.49 3hwkH1 GLU 134 HB3 -0.04 -0.01 0.11 -0.04 1.99 2.01 3hwkH1 GLU 134 HG2 0.04 -0.08 -0.21 -0.04 2.34 2.04 3hwkH1 GLU 134 HG3 0.07 -0.16 0.06 -0.04 2.34 2.26 3hwkH1 ASP 135 H 0.00 0.17 -0.25 -0.55 8.40 7.77 3hwkH1 ASP 135 HA 0.01 0.11 0.55 -0.75 4.63 4.54 3hwkH1 ASP 135 HB2 -0.01 0.03 0.02 -0.04 2.71 2.71 3hwkH1 ASP 135 HB3 -0.01 0.05 0.13 -0.04 2.70 2.84 3hwkH1 ASP 136 H 0.01 0.51 -0.45 -0.55 8.40 7.93 3hwkH1 ASP 136 HA -0.01 0.14 0.87 -0.75 4.63 4.88 3hwkH1 ASP 136 HB2 -0.01 0.04 0.06 -0.04 2.71 2.76 3hwkH1 ASP 136 HB3 -0.00 0.06 0.20 -0.04 2.70 2.91 3hwkH1 ALA 137 H -0.01 0.29 0.15 -0.55 8.40 8.28 3hwkH1 ALA 137 HA -0.02 0.08 0.31 -0.75 4.34 3.95 3hwkH1 ALA 137 HB3 -0.02 0.05 0.09 -0.04 1.41 1.50 3hwkH1 ALA 138 H -0.02 0.09 -0.20 -0.55 8.40 7.72 3hwkH1 ALA 138 HA -0.03 0.13 0.45 -0.75 4.34 4.13 3hwkH1 ALA 138 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 3hwkH1 ALA 139 H -0.03 0.50 -0.51 -0.55 8.40 7.81 3hwkH1 ALA 139 HA -0.05 0.14 0.75 -0.75 4.34 4.43 3hwkH1 ALA 139 HB3 -0.02 0.04 0.09 -0.04 1.41 1.48 3hwkH1 ASN 140 H -0.07 0.49 -0.33 -0.55 8.53 8.08 3hwkH1 ASN 140 HA -0.11 -0.01 0.33 -0.75 4.76 4.22 3hwkH1 ASN 140 HB2 -0.08 0.15 0.16 -0.04 2.88 3.07 3hwkH1 ASN 140 HB3 -0.12 -0.02 -0.01 -0.04 2.79 2.60 3hwkH1 ASN 140 HD21 -0.04 -0.00 0.01 -0.04 7.03 6.96 3hwkH1 ASN 140 HD22 -0.04 0.03 0.03 -0.04 7.74 7.72 3hwkH1 ARG 141 H -0.16 0.21 -0.15 -0.55 8.46 7.81 3hwkH1 ARG 141 HA -0.48 0.07 0.38 -0.75 4.34 3.56 3hwkH1 ARG 141 HB2 -0.16 0.02 0.08 -0.04 1.90 1.80 3hwkH1 ARG 141 HB3 -0.23 0.01 -0.05 -0.04 1.80 1.49 3hwkH1 ARG 141 HG2 -0.31 0.01 0.02 -0.04 1.67 1.35 3hwkH1 ARG 141 HG3 -0.18 0.00 0.03 -0.04 1.67 1.48 3hwkH1 ARG 141 HD2 -0.09 -0.00 0.01 -0.04 3.22 3.10 3hwkH1 ARG 141 HD3 -0.11 -0.03 -0.02 -0.04 3.22 3.02 3hwkH1 ALA 142 H -0.15 0.18 -0.21 -0.55 8.40 7.67 3hwkH1 ALA 142 HA -0.15 0.04 0.41 -0.75 4.34 3.88 3hwkH1 ALA 142 HB3 -0.07 0.04 0.08 -0.04 1.41 1.42 3hwkH1 LYS 143 H -0.14 0.48 -0.14 -0.55 8.42 8.08 3hwkH1 LYS 143 HA -0.06 0.02 0.36 -0.75 4.32 3.90 3hwkH1 LYS 143 HB2 -0.17 0.09 0.07 -0.04 1.87 1.82 3hwkH1 LYS 143 HB3 -0.31 -0.07 -0.04 -0.04 1.79 1.33 3hwkH1 LYS 143 HG2 0.11 -0.05 -0.08 -0.04 1.46 1.40 3hwkH1 LYS 143 HG3 -0.02 0.12 -0.05 -0.04 1.46 1.47 3hwkH1 LYS 143 HD2 0.05 -0.12 -0.06 -0.04 1.69 1.52 3hwkH1 LYS 143 HD3 0.16 -0.03 -0.33 -0.04 1.68 1.44 3hwkH1 LYS 143 HE2 -0.01 -0.05 -0.26 -0.04 2.99 2.63 3hwkH1 LYS 143 HE3 -0.06 -0.09 -0.27 -0.04 2.99 2.53 3hwkH1 ALA 144 H -0.30 0.65 -0.11 -0.55 8.40 8.09 3hwkH1 ALA 144 HA -0.13 -0.02 0.43 -0.75 4.34 3.86 3hwkH1 ALA 144 HB3 -0.66 0.04 0.08 -0.04 1.41 0.83 3hwkH1 MET 145 H -0.44 0.53 -0.14 -0.55 8.47 7.88 3hwkH1 MET 145 HA 0.02 -0.03 0.35 -0.75 4.52 4.10 3hwkH1 MET 145 HB2 -0.26 -0.03 0.07 -0.04 2.15 1.89 3hwkH1 MET 145 HB3 -0.17 0.17 0.16 -0.04 2.03 2.15 3hwkH1 MET 145 HG2 -0.14 -0.04 -0.11 -0.04 2.63 2.31 3hwkH1 MET 145 HG3 -0.06 0.07 -0.34 -0.04 2.56 2.19 3hwkH1 MET 145 HE3 -0.81 -0.01 -0.02 -0.04 2.10 1.21 3hwkH1 ARG 146 H -0.07 0.50 -0.15 -0.55 8.46 8.18 3hwkH1 ARG 146 HA 0.04 0.08 0.41 -0.75 4.34 4.12 3hwkH1 ARG 146 HB2 0.03 0.03 0.16 -0.04 1.90 2.07 3hwkH1 ARG 146 HB3 0.07 -0.01 0.02 -0.04 1.80 1.84 3hwkH1 ARG 146 HG2 0.01 0.01 0.03 -0.04 1.67 1.68 3hwkH1 ARG 146 HG3 -0.02 0.15 0.04 -0.04 1.67 1.80 3hwkH1 ARG 146 HD2 0.05 0.02 -0.01 -0.04 3.22 3.24 3hwkH1 ARG 146 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.16 3hwkH1 MET 147 H -0.00 0.65 -0.06 -0.55 8.47 8.50 3hwkH1 MET 147 HA 0.11 -0.02 0.41 -0.75 4.52 4.26 3hwkH1 MET 147 HB2 0.01 0.13 0.18 -0.04 2.15 2.43 3hwkH1 MET 147 HB3 0.10 -0.06 -0.02 -0.04 2.03 2.01 3hwkH1 MET 147 HG2 0.06 -0.05 0.00 -0.04 2.63 2.61 3hwkH1 MET 147 HG3 -0.07 0.01 0.01 -0.04 2.56 2.47 3hwkH1 MET 147 HE3 -0.08 -0.04 -0.03 -0.04 2.10 1.91 3hwkH1 MET 148 H 0.18 0.69 -0.10 -0.55 8.47 8.70 3hwkH1 MET 148 HA 0.24 -0.01 0.36 -0.75 4.52 4.36 3hwkH1 MET 148 HB2 0.45 -0.02 0.03 -0.04 2.15 2.56 3hwkH1 MET 148 HB3 0.41 0.09 0.11 -0.04 2.03 2.60 3hwkH1 MET 148 HG2 0.32 0.07 0.06 -0.04 2.63 3.04 3hwkH1 MET 148 HG3 0.14 -0.08 -0.02 -0.04 2.56 2.55 3hwkH1 MET 148 HE3 0.15 -0.03 -0.05 -0.04 2.10 2.12 3hwkH1 ALA 149 H 0.16 0.61 -0.14 -0.55 8.40 8.49 3hwkH1 ALA 149 HA 0.24 -0.07 0.43 -0.75 4.34 4.19 3hwkH1 ALA 149 HB3 0.10 0.01 -0.01 -0.04 1.41 1.47 3hwkH1 VAL 150 H 0.12 0.46 -0.16 -0.55 8.24 8.11 3hwkH1 VAL 150 HA 0.08 0.15 0.56 -0.75 4.13 4.17 3hwkH1 VAL 150 HB 0.08 0.20 0.09 -0.04 2.12 2.45 3hwkH1 VAL 150 HG13 0.11 -0.00 -0.04 -0.04 0.97 1.00 3hwkH1 VAL 150 HG23 0.07 -0.03 -0.08 -0.04 0.95 0.87 3hwkH1 LEU 151 H 0.12 0.58 -0.03 -0.55 8.37 8.50 3hwkH1 LEU 151 HA 0.07 -0.06 0.40 -0.75 4.35 4.01 3hwkH1 LEU 151 HB2 0.11 0.21 0.13 -0.04 1.64 2.04 3hwkH1 LEU 151 HB3 0.04 -0.11 -0.05 -0.04 1.64 1.49 3hwkH1 LEU 151 HG 0.12 0.09 0.04 -0.04 1.64 1.85 3hwkH1 LEU 151 HD13 0.14 -0.02 -0.20 -0.04 0.93 0.81 3hwkH1 LEU 151 HD23 0.10 -0.04 -0.04 -0.04 0.89 0.87 3hwkH1 PRO 152 HA -0.13 -0.02 0.38 -0.51 4.44 4.16 3hwkH1 PRO 152 HB2 -0.02 0.09 -0.03 -0.04 2.28 2.29 3hwkH1 PRO 152 HB3 -0.23 -0.06 0.06 -0.04 2.02 1.75 3hwkH1 PRO 152 HG2 -0.22 0.06 0.05 -0.04 2.03 1.88 3hwkH1 PRO 152 HG3 -0.12 -0.05 0.05 -0.04 2.03 1.87 3hwkH1 PRO 152 HD2 0.08 0.33 -0.39 -0.04 3.68 3.66 3hwkH1 PRO 152 HD3 0.12 0.19 0.08 -0.04 3.65 3.99 3hwkH1 THR 153 H 0.06 0.35 -0.34 -0.55 8.28 7.79 3hwkH1 THR 153 HA 0.06 0.04 0.42 -0.75 4.39 4.16 3hwkH1 THR 153 HB 0.05 0.03 0.12 -0.04 4.32 4.47 3hwkH1 THR 153 HG23 0.03 -0.04 0.04 -0.04 1.22 1.21 3hwkH1 ILE 154 H 0.05 0.48 -0.04 -0.55 8.25 8.20 3hwkH1 ILE 154 HA 0.02 0.01 0.38 -0.75 4.18 3.84 3hwkH1 ILE 154 HB 0.05 0.08 0.12 -0.04 1.89 2.10 3hwkH1 ILE 154 HG12 0.04 -0.06 -0.03 -0.04 1.49 1.39 3hwkH1 ILE 154 HG13 0.05 0.17 0.03 -0.04 1.21 1.42 3hwkH1 ILE 154 HG23 0.03 -0.03 -0.15 -0.04 0.93 0.74 3hwkH1 ILE 154 HD13 0.08 -0.03 -0.13 -0.04 0.88 0.75 3hwkH1 VAL 155 H 0.07 0.65 -0.10 -0.55 8.24 8.31 3hwkH1 VAL 155 HA 0.04 -0.03 0.34 -0.75 4.13 3.73 3hwkH1 VAL 155 HB 0.11 0.10 0.07 -0.04 2.12 2.36 3hwkH1 VAL 155 HG13 0.11 -0.02 -0.20 -0.04 0.97 0.81 3hwkH1 VAL 155 HG23 -0.00 0.03 -0.09 -0.04 0.95 0.85 3hwkH1 ALA 156 H 0.18 0.61 -0.13 -0.55 8.40 8.51 3hwkH1 ALA 156 HA -0.14 -0.03 0.42 -0.75 4.34 3.83 3hwkH1 ALA 156 HB3 -0.20 0.05 -0.08 -0.04 1.41 1.15 3hwkH1 ILE 157 H -0.00 0.55 -0.13 -0.55 8.25 8.11 3hwkH1 ILE 157 HA -0.05 0.07 0.46 -0.75 4.18 3.91 3hwkH1 ILE 157 HB -0.01 0.07 0.14 -0.04 1.89 2.05 3hwkH1 ILE 157 HG12 -0.02 -0.07 0.04 -0.04 1.49 1.40 3hwkH1 ILE 157 HG13 -0.02 0.09 0.08 -0.04 1.21 1.32 3hwkH1 ILE 157 HG23 -0.02 -0.02 -0.20 -0.04 0.93 0.65 3hwkH1 ILE 157 HD13 -0.00 -0.04 -0.10 -0.04 0.88 0.70 3hwkH1 ASP 158 H -0.01 0.54 -0.16 -0.55 8.40 8.23 3hwkH1 ASP 158 HA -0.02 0.08 0.34 -0.75 4.63 4.28 3hwkH1 ASP 158 HB2 -0.00 0.00 0.07 -0.04 2.71 2.74 3hwkH1 ASP 158 HB3 -0.00 0.01 0.11 -0.04 2.70 2.78 3hwkH1 MET 159 H -0.03 0.59 -0.06 -0.55 8.47 8.43 3hwkH1 MET 159 HA -0.02 -0.07 0.41 -0.75 4.52 4.09 3hwkH1 MET 159 HB2 -0.03 0.02 0.14 -0.04 2.15 2.25 3hwkH1 MET 159 HB3 -0.10 0.14 0.16 -0.04 2.03 2.19 3hwkH1 MET 159 HG2 -0.02 0.08 -0.10 -0.04 2.63 2.55 3hwkH1 MET 159 HG3 0.01 -0.15 0.06 -0.04 2.56 2.45 3hwkH1 MET 159 HE3 -0.27 0.04 -0.04 -0.04 2.10 1.79 3hwkH1 ARG 160 H -0.08 0.59 -0.10 -0.55 8.46 8.31 3hwkH1 ARG 160 HA -0.06 -0.01 0.46 -0.75 4.34 3.97 3hwkH1 ARG 160 HB2 -0.08 0.09 0.09 -0.04 1.90 1.96 3hwkH1 ARG 160 HB3 -0.06 0.07 -0.14 -0.04 1.80 1.62 3hwkH1 ARG 160 HG2 -0.11 -0.05 0.08 -0.04 1.67 1.54 3hwkH1 ARG 160 HG3 -0.18 -0.06 0.16 -0.04 1.67 1.55 3hwkH1 ARG 160 HD2 -0.19 0.12 0.02 -0.04 3.22 3.13 3hwkH1 ARG 160 HD3 -0.12 -0.12 -0.01 -0.04 3.22 2.93 3hwkH1 ARG 161 H -0.04 0.46 -0.27 -0.55 8.46 8.06 3hwkH1 ARG 161 HA -0.02 0.09 0.46 -0.75 4.34 4.11 3hwkH1 ARG 161 HB2 -0.02 0.02 0.09 -0.04 1.90 1.94 3hwkH1 ARG 161 HB3 -0.02 0.10 0.19 -0.04 1.80 2.03 3hwkH1 ARG 161 HG2 -0.01 -0.03 -0.23 -0.04 1.67 1.35 3hwkH1 ARG 161 HG3 -0.02 -0.07 0.02 -0.04 1.67 1.56 3hwkH1 ARG 161 HD2 -0.02 0.03 -0.02 -0.04 3.22 3.18 3hwkH1 ARG 161 HD3 -0.02 -0.08 -0.14 -0.04 3.22 2.95 3hwkH1 ARG 162 H -0.02 0.47 -0.19 -0.55 8.46 8.17 3hwkH1 ARG 162 HA -0.01 0.05 0.49 -0.75 4.34 4.12 3hwkH1 ARG 162 HB2 -0.01 0.14 0.17 -0.04 1.90 2.16 3hwkH1 ARG 162 HB3 -0.01 -0.11 0.14 -0.04 1.80 1.78 3hwkH1 ARG 162 HG2 -0.01 0.11 0.13 -0.04 1.67 1.86 3hwkH1 ARG 162 HG3 -0.01 0.05 0.07 -0.04 1.67 1.74 3hwkH1 ARG 162 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.10 3hwkH1 ARG 162 HD3 -0.02 -0.10 0.04 -0.04 3.22 3.09 3hwkH1 ARG 163 H -0.02 0.32 -0.50 -0.55 8.46 7.71 3hwkH1 ARG 163 HA -0.00 0.08 0.81 -0.75 4.34 4.47 3hwkH1 ARG 163 HB2 -0.02 0.13 0.14 -0.04 1.90 2.11 3hwkH1 ARG 163 HB3 -0.00 -0.05 0.17 -0.04 1.80 1.87 3hwkH1 ARG 163 HG2 0.01 -0.06 0.04 -0.04 1.67 1.61 3hwkH1 ARG 163 HG3 -0.00 0.00 -0.08 -0.04 1.67 1.55 3hwkH1 ARG 163 HD2 -0.01 0.06 -0.03 -0.04 3.22 3.21 3hwkH1 ARG 163 HD3 0.02 -0.01 0.03 -0.04 3.22 3.21 3hwkH1 GLY 164 H -0.01 0.43 -0.32 -0.55 8.43 7.98 3hwkH1 GLY 164 HA2 -0.01 0.03 0.33 -0.51 4.01 3.85 3hwkH1 GLY 164 HA3 -0.01 -0.05 0.50 -0.51 4.01 3.94 3hwkH1 LEU 165 H -0.02 0.67 -0.01 -0.55 8.37 8.46 3hwkH1 LEU 165 HA -0.02 0.12 0.88 -0.75 4.35 4.57 3hwkH1 LEU 165 HB2 -0.04 -0.00 0.06 -0.04 1.64 1.62 3hwkH1 LEU 165 HB3 -0.04 0.06 -0.00 -0.04 1.64 1.61 3hwkH1 LEU 165 HG -0.02 0.08 -0.26 -0.04 1.64 1.40 3hwkH1 LEU 165 HD13 -0.02 -0.02 0.00 -0.04 0.93 0.85 3hwkH1 LEU 165 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.80 3hwkH1 PRO 166 HA -0.03 0.06 0.43 -0.51 4.44 4.40 3hwkH1 PRO 166 HB2 -0.02 0.08 0.04 -0.04 2.28 2.34 3hwkH1 PRO 166 HB3 -0.02 -0.06 0.09 -0.04 2.02 1.99 3hwkH1 PRO 166 HG2 -0.03 0.07 -0.02 -0.04 2.03 2.02 3hwkH1 PRO 166 HG3 -0.02 -0.04 0.06 -0.04 2.03 1.98 3hwkH1 PRO 166 HD2 -0.03 0.09 0.19 -0.04 3.68 3.88 3hwkH1 PRO 166 HD3 -0.02 0.14 0.19 -0.04 3.65 3.92 3hwkH1 PRO 167 HA -0.05 0.14 0.47 -0.51 4.44 4.49 3hwkH1 PRO 167 HB2 -0.02 -0.06 -0.11 -0.04 2.28 2.05 3hwkH1 PRO 167 HB3 -0.02 0.02 0.03 -0.04 2.02 2.01 3hwkH1 PRO 167 HG2 -0.02 -0.04 0.04 -0.04 2.03 1.96 3hwkH1 PRO 167 HG3 -0.02 0.07 0.06 -0.04 2.03 2.09 3hwkH1 PRO 167 HD2 -0.02 0.03 0.17 -0.04 3.68 3.82 3hwkH1 PRO 167 HD3 -0.02 0.16 0.18 -0.04 3.65 3.92 3hwkH1 ILE 168 H -0.06 0.28 0.12 -0.55 8.25 8.03 3hwkH1 ILE 168 HA -0.03 0.06 0.71 -0.75 4.18 4.16 3hwkH1 ILE 168 HB -0.13 0.12 0.16 -0.04 1.89 2.00 3hwkH1 ILE 168 HG12 -0.08 -0.06 -0.04 -0.04 1.49 1.26 3hwkH1 ILE 168 HG13 -0.09 0.11 -0.38 -0.04 1.21 0.81 3hwkH1 ILE 168 HG23 -0.12 0.02 -0.17 -0.04 0.93 0.62 3hwkH1 ILE 168 HD13 -0.18 0.01 -0.17 -0.04 0.88 0.50 3hwkH1 ALA 169 H 0.01 0.08 0.02 -0.55 8.40 7.96 3hwkH1 ALA 169 HA 0.01 0.04 0.30 -0.75 4.34 3.94 3hwkH1 ALA 169 HB3 0.01 -0.00 0.06 -0.04 1.41 1.43 3hwkH1 PRO 170 HA 0.09 0.10 0.61 -0.51 4.44 4.73 3hwkH1 PRO 170 HB2 0.05 0.01 -0.14 -0.04 2.28 2.16 3hwkH1 PRO 170 HB3 0.05 0.06 0.05 -0.04 2.02 2.14 3hwkH1 PRO 170 HG2 0.03 -0.05 -0.06 -0.04 2.03 1.90 3hwkH1 PRO 170 HG3 0.04 0.19 -0.12 -0.04 2.03 2.10 3hwkH1 PRO 170 HD2 0.02 -0.00 0.19 -0.04 3.68 3.85 3hwkH1 PRO 170 HD3 0.03 0.20 0.12 -0.04 3.65 3.95 3hwkH1 HIS 171 H 0.14 0.19 0.11 -0.55 8.41 8.30 3hwkH1 HIS 171 HA -0.00 0.15 0.76 -0.75 4.63 4.78 3hwkH1 HIS 171 HB2 -0.09 0.18 -0.06 -0.04 3.26 3.24 3hwkH1 HIS 171 HB3 -0.11 -0.07 0.13 -0.04 3.20 3.11 3hwkH1 HIS 171 HD2 -0.21 0.09 -0.06 -0.04 6.97 6.75 3hwkH1 HIS 171 HE1 -0.04 0.04 -0.02 -0.04 7.75 7.69 3hwkH1 SER 172 H 0.00 0.22 0.11 -0.55 8.46 8.24 3hwkH1 SER 172 HA 0.09 0.18 0.44 -0.75 4.49 4.44 3hwkH1 SER 172 HB2 0.05 0.01 0.07 -0.04 3.95 4.04 3hwkH1 SER 172 HB3 0.03 0.09 0.05 -0.04 3.93 4.06 3hwkH1 GLY 173 H 0.70 0.01 -0.41 -0.55 8.43 8.19 3hwkH1 GLY 173 HA2 0.09 0.12 0.56 -0.51 4.01 4.27 3hwkH1 GLY 173 HA3 0.13 -0.00 0.22 -0.51 4.01 3.85 3hwkH1 LEU 174 H 0.05 0.38 -0.28 -0.55 8.37 7.98 3hwkH1 LEU 174 HA -0.05 0.08 0.78 -0.75 4.35 4.41 3hwkH1 LEU 174 HB2 -0.04 0.12 0.06 -0.04 1.64 1.75 3hwkH1 LEU 174 HB3 -0.05 -0.11 -0.06 -0.04 1.64 1.38 3hwkH1 LEU 174 HG -0.59 -0.09 -0.14 -0.04 1.64 0.78 3hwkH1 LEU 174 HD13 -0.33 0.02 -0.16 -0.04 0.93 0.42 3hwkH1 LEU 174 HD23 -0.23 0.01 -0.12 -0.04 0.89 0.51 3hwkH1 GLY 175 H 0.04 0.09 0.13 -0.55 8.43 8.14 3hwkH1 GLY 175 HA2 0.13 0.18 0.52 -0.51 4.01 4.34 3hwkH1 GLY 175 HA3 0.12 -0.05 0.35 -0.51 4.01 3.92 3hwkH1 TYR 176 H 0.31 0.09 0.15 -0.55 8.29 8.29 3hwkH1 TYR 176 HA 0.16 0.22 0.27 -0.75 4.56 4.45 3hwkH1 TYR 176 HB2 0.23 0.07 0.12 -0.04 3.06 3.44 3hwkH1 TYR 176 HB3 0.26 -0.20 0.17 -0.04 2.98 3.17 3hwkH1 TYR 176 HD2 0.21 -0.04 -0.16 -0.04 7.15 7.12 3hwkH1 TYR 176 HE2 -0.03 0.15 -0.05 -0.04 6.85 6.88 3hwkH1 ALA 177 H 0.38 -0.01 -0.07 -0.55 8.40 8.15 3hwkH1 ALA 177 HA 0.47 0.15 0.32 -0.75 4.34 4.53 3hwkH1 ALA 177 HB3 0.37 0.01 0.04 -0.04 1.41 1.79 3hwkH1 GLN 178 H 0.13 -0.00 -0.21 -0.55 8.47 7.85 3hwkH1 GLN 178 HA 0.05 0.08 0.43 -0.75 4.36 4.17 3hwkH1 GLN 178 HB2 0.02 -0.01 0.06 -0.04 2.15 2.18 3hwkH1 GLN 178 HB3 -0.01 0.05 0.01 -0.04 2.02 2.04 3hwkH1 GLN 178 HG2 0.04 0.06 0.00 -0.04 2.40 2.46 3hwkH1 GLN 178 HG3 0.07 -0.12 0.02 -0.04 2.39 2.32 3hwkH1 GLN 178 HE21 0.00 0.04 0.01 -0.04 6.97 6.98 3hwkH1 GLN 178 HE22 0.01 0.02 -0.01 -0.04 7.69 7.68 3hwkH1 ASN 179 H 0.06 0.63 -0.29 -0.55 8.53 8.37 3hwkH1 ASN 179 HA 0.04 -0.03 0.31 -0.75 4.76 4.33 3hwkH1 ASN 179 HB2 0.04 0.11 -0.03 -0.04 2.88 2.96 3hwkH1 ASN 179 HB3 0.00 0.11 0.04 -0.04 2.79 2.90 3hwkH1 ASN 179 HD21 0.04 0.01 -0.06 -0.04 7.03 6.97 3hwkH1 ASN 179 HD22 -0.03 0.04 -0.09 -0.04 7.74 7.62 3hwkH1 PHE 180 H 0.04 0.43 -0.13 -0.55 8.34 8.13 3hwkH1 PHE 180 HA -0.15 0.08 0.35 -0.75 4.62 4.14 3hwkH1 PHE 180 HB2 -0.29 0.02 0.09 -0.04 3.15 2.94 3hwkH1 PHE 180 HB3 -0.30 0.01 0.11 -0.04 3.06 2.84 3hwkH1 PHE 180 HD2 -0.51 0.01 -0.04 -0.04 7.28 6.69 3hwkH1 PHE 180 HE2 -0.45 0.00 -0.03 -0.04 7.38 6.86 3hwkH1 PHE 180 HZ -0.32 -0.01 -0.13 -0.04 7.32 6.83 3hwkH1 LEU 181 H -0.09 0.36 -0.18 -0.55 8.37 7.91 3hwkH1 LEU 181 HA -0.28 0.04 0.33 -0.75 4.35 3.69 3hwkH1 LEU 181 HB2 -0.02 0.05 0.19 -0.04 1.64 1.83 3hwkH1 LEU 181 HB3 0.05 0.04 0.08 -0.04 1.64 1.77 3hwkH1 LEU 181 HG -0.36 0.00 0.06 -0.04 1.64 1.30 3hwkH1 LEU 181 HD13 -0.01 -0.03 -0.07 -0.04 0.93 0.77 3hwkH1 LEU 181 HD23 -0.09 0.01 -0.03 -0.04 0.89 0.74 3hwkH1 HIS 182 H 0.05 0.59 -0.13 -0.55 8.41 8.37 3hwkH1 HIS 182 HA -0.03 -0.10 0.27 -0.75 4.63 4.01 3hwkH1 HIS 182 HB2 -0.04 -0.06 -0.04 -0.04 3.26 3.08 3hwkH1 HIS 182 HB3 -0.04 0.11 0.06 -0.04 3.20 3.29 3hwkH1 HIS 182 HD2 -0.01 -0.13 -0.26 -0.04 6.97 6.52 3hwkH1 HIS 182 HE1 0.08 0.03 -0.12 -0.04 7.75 7.69 3hwkH1 MET 183 H -0.09 0.62 -0.14 -0.55 8.47 8.31 3hwkH1 MET 183 HA -0.17 0.05 0.41 -0.75 4.52 4.06 3hwkH1 MET 183 HB2 -0.18 0.02 0.07 -0.04 2.15 2.02 3hwkH1 MET 183 HB3 -0.11 -0.02 0.03 -0.04 2.03 1.89 3hwkH1 MET 183 HG2 0.04 0.16 -0.22 -0.04 2.63 2.57 3hwkH1 MET 183 HG3 0.04 0.15 0.01 -0.04 2.56 2.72 3hwkH1 MET 183 HE3 0.09 -0.01 -0.30 -0.04 2.10 1.84 3hwkH1 CYS 184 H -0.56 0.40 -0.22 -0.55 8.50 7.57 3hwkH1 CYS 184 HA -0.49 0.10 0.69 -0.75 4.58 4.13 3hwkH1 CYS 184 HB2 -1.46 0.07 0.11 -0.04 2.97 1.65 3hwkH1 CYS 184 HB3 -1.27 -0.04 -0.01 -0.04 2.97 1.62 3hwkH1 PHE 185 H -0.32 0.31 -0.01 -0.55 8.34 7.77 3hwkH1 PHE 185 HA -0.14 0.23 0.80 -0.75 4.62 4.77 3hwkH1 PHE 185 HB2 -0.15 0.07 0.09 -0.04 3.15 3.11 3hwkH1 PHE 185 HB3 -0.13 -0.05 0.06 -0.04 3.06 2.90 3hwkH1 PHE 185 HD2 -0.17 0.02 -0.00 -0.04 7.28 7.09 3hwkH1 PHE 185 HE2 -0.29 -0.01 -0.09 -0.04 7.38 6.96 3hwkH1 PHE 185 HZ -0.44 -0.14 -0.41 -0.04 7.32 6.29 3hwkH1 GLY 186 H -0.25 0.56 0.17 -0.55 8.43 8.36 3hwkH1 GLY 186 HA2 -0.42 0.04 0.32 -0.51 4.01 3.43 3hwkH1 GLY 186 HA3 -0.12 0.11 0.59 -0.51 4.01 4.07 3hwkH1 GLU 187 H -0.01 0.22 -0.18 -0.55 8.60 8.08 3hwkH1 GLU 187 HA 0.13 0.01 0.49 -0.75 4.29 4.17 3hwkH1 VAL 188 H 0.10 0.11 0.06 -0.55 8.24 7.96 3hwkH1 VAL 188 HA 0.05 0.10 0.60 -0.75 4.13 4.13 3hwkH1 VAL 188 HB -0.00 -0.02 0.14 -0.04 2.12 2.20 3hwkH1 VAL 188 HG13 0.01 0.04 -0.03 -0.04 0.97 0.94 3hwkH1 VAL 188 HG23 -0.00 0.01 0.01 -0.04 0.95 0.92 3hwkH1 PRO 189 HA -0.06 0.13 0.38 -0.51 4.44 4.38 3hwkH1 PRO 189 HB2 -0.08 -0.06 0.08 -0.04 2.28 2.17 3hwkH1 PRO 189 HB3 -0.15 0.11 0.14 -0.04 2.02 2.07 3hwkH1 PRO 189 HG2 -0.10 -0.02 0.04 -0.04 2.03 1.91 3hwkH1 PRO 189 HG3 -0.14 0.21 0.08 -0.04 2.03 2.13 3hwkH1 PRO 189 HD2 -0.01 -0.04 0.10 -0.04 3.68 3.69 3hwkH1 PRO 189 HD3 0.02 0.21 0.28 -0.04 3.65 4.12 3hwkH1 GLU 190 H -0.06 0.16 0.17 -0.55 8.60 8.32 3hwkH1 GLU 190 HA -0.02 0.14 0.49 -0.75 4.29 4.14 3hwkH1 GLU 190 HB2 -0.03 -0.12 0.08 -0.04 2.09 1.98 3hwkH1 GLU 190 HB3 -0.02 0.01 0.14 -0.04 1.99 2.08 3hwkH1 GLU 190 HG2 -0.03 0.06 0.08 -0.04 2.34 2.41 3hwkH1 GLU 190 HG3 -0.04 0.05 0.10 -0.04 2.34 2.41 3hwkH1 THR 191 H -0.01 0.22 0.18 -0.55 8.28 8.12 3hwkH1 THR 191 HA 0.01 0.06 0.23 -0.75 4.39 3.93 3hwkH1 THR 191 HB 0.01 0.03 0.06 -0.04 4.32 4.38 3hwkH1 THR 191 HG23 0.01 0.02 0.06 -0.04 1.22 1.27 3hwkH1 ALA 192 H -0.01 0.03 -0.59 -0.55 8.40 7.28 3hwkH1 ALA 192 HA -0.00 0.10 0.51 -0.75 4.34 4.20 3hwkH1 ALA 192 HB3 -0.02 0.03 -0.02 -0.04 1.41 1.36 3hwkH1 VAL 193 H -0.02 0.23 -0.05 -0.55 8.24 7.85 3hwkH1 VAL 193 HA -0.00 0.08 0.50 -0.75 4.13 3.96 3hwkH1 VAL 193 HB -0.06 0.03 0.12 -0.04 2.12 2.18 3hwkH1 VAL 193 HG13 -0.10 0.02 -0.09 -0.04 0.97 0.76 3hwkH1 VAL 193 HG23 -0.09 0.02 0.03 -0.04 0.95 0.86 3hwkH1 VAL 194 H 0.02 0.41 -0.19 -0.55 8.24 7.93 3hwkH1 VAL 194 HA 0.12 0.05 0.23 -0.75 4.13 3.78 3hwkH1 VAL 194 HB 0.05 0.01 0.00 -0.04 2.12 2.14 3hwkH1 VAL 194 HG13 0.10 -0.02 -0.20 -0.04 0.97 0.81 3hwkH1 VAL 194 HG23 0.02 0.05 -0.17 -0.04 0.95 0.81 3hwkH1 SER 195 H 0.05 0.54 -0.30 -0.55 8.46 8.20 3hwkH1 SER 195 HA 0.07 -0.04 0.30 -0.75 4.49 4.06 3hwkH1 SER 195 HB2 0.03 0.17 0.18 -0.04 3.95 4.29 3hwkH1 SER 195 HB3 0.02 0.05 0.10 -0.04 3.93 4.06 3hwkH1 ALA 196 H 0.05 0.47 -0.23 -0.55 8.40 8.15 3hwkH1 ALA 196 HA 0.01 -0.01 0.47 -0.75 4.34 4.05 3hwkH1 ALA 196 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 3hwkH1 PHE 197 H 0.24 0.68 -0.06 -0.55 8.34 8.64 3hwkH1 PHE 197 HA 0.15 -0.01 0.34 -0.75 4.62 4.34 3hwkH1 PHE 197 HB2 0.15 0.05 0.06 -0.04 3.15 3.37 3hwkH1 PHE 197 HB3 0.12 0.10 0.12 -0.04 3.06 3.35 3hwkH1 PHE 197 HD2 0.23 -0.02 -0.09 -0.04 7.28 7.36 3hwkH1 PHE 197 HE2 -0.06 -0.02 -0.07 -0.04 7.38 7.18 3hwkH1 PHE 197 HZ -0.40 0.03 -0.06 -0.04 7.32 6.85 3hwkH1 GLU 198 H 0.18 0.62 -0.19 -0.55 8.60 8.67 3hwkH1 GLU 198 HA -0.09 -0.05 0.36 -0.75 4.29 3.76 3hwkH1 GLU 198 HB2 0.19 -0.06 0.09 -0.04 2.09 2.27 3hwkH1 GLU 198 HB3 0.09 0.20 0.10 -0.04 1.99 2.33 3hwkH1 GLU 198 HG2 0.07 0.22 -0.04 -0.04 2.34 2.55 3hwkH1 GLU 198 HG3 0.10 -0.11 0.14 -0.04 2.34 2.43 3hwkH1 GLN 199 H -0.01 0.56 -0.17 -0.55 8.47 8.31 3hwkH1 GLN 199 HA -0.04 0.04 0.55 -0.75 4.36 4.17 3hwkH1 GLN 199 HB2 -0.04 0.12 0.23 -0.04 2.15 2.42 3hwkH1 GLN 199 HB3 -0.07 -0.13 -0.01 -0.04 2.02 1.77 3hwkH1 GLN 199 HG2 -0.03 0.28 0.14 -0.04 2.40 2.75 3hwkH1 GLN 199 HG3 -0.01 0.14 0.12 -0.04 2.39 2.61 3hwkH1 GLN 199 HE21 -0.03 -0.07 -0.03 -0.04 6.97 6.79 3hwkH1 GLN 199 HE22 -0.04 -0.03 -0.17 -0.04 7.69 7.40 3hwkH1 SER 200 H -0.11 0.70 -0.07 -0.55 8.46 8.44 3hwkH1 SER 200 HA -0.26 -0.06 0.38 -0.75 4.49 3.79 3hwkH1 SER 200 HB2 -0.06 0.02 0.05 -0.04 3.95 3.92 3hwkH1 SER 200 HB3 -0.16 0.25 0.15 -0.04 3.93 4.13 3hwkH1 MET 201 H -0.37 0.53 -0.19 -0.55 8.47 7.90 3hwkH1 MET 201 HA -0.30 0.01 0.35 -0.75 4.52 3.82 3hwkH1 MET 201 HB2 -0.43 0.12 0.13 -0.04 2.15 1.93 3hwkH1 MET 201 HB3 -1.24 -0.05 -0.01 -0.04 2.03 0.68 3hwkH1 MET 201 HG2 -1.17 0.22 0.01 -0.04 2.63 1.64 3hwkH1 MET 201 HG3 -0.61 -0.10 -0.05 -0.04 2.56 1.75 3hwkH1 MET 201 HE3 -0.35 -0.00 -0.19 -0.04 2.10 1.52 3hwkH1 ILE 202 H -0.06 0.45 -0.30 -0.55 8.25 7.80 3hwkH1 ILE 202 HA 0.23 0.02 0.52 -0.75 4.18 4.19 3hwkH1 ILE 202 HB 0.01 0.16 0.16 -0.04 1.89 2.18 3hwkH1 ILE 202 HG12 0.14 -0.11 -0.12 -0.04 1.49 1.36 3hwkH1 ILE 202 HG13 0.14 0.04 -0.03 -0.04 1.21 1.32 3hwkH1 ILE 202 HG23 0.08 -0.03 -0.22 -0.04 0.93 0.72 3hwkH1 ILE 202 HD13 0.04 -0.02 -0.30 -0.04 0.88 0.55 3hwkH1 LEU 203 H -0.07 0.66 -0.04 -0.55 8.37 8.37 3hwkH1 LEU 203 HA -0.01 -0.02 0.42 -0.75 4.35 3.99 3hwkH1 LEU 203 HB2 -0.27 0.11 0.11 -0.04 1.64 1.55 3hwkH1 LEU 203 HB3 -0.22 -0.13 0.01 -0.04 1.64 1.26 3hwkH1 LEU 203 HG -0.11 0.23 0.01 -0.04 1.64 1.74 3hwkH1 LEU 203 HD13 -0.16 -0.01 -0.13 -0.04 0.93 0.58 3hwkH1 LEU 203 HD23 -0.11 -0.04 -0.03 -0.04 0.89 0.67 3hwkH1 TYR 204 H -0.01 0.51 -0.26 -0.55 8.29 7.99 3hwkH1 TYR 204 HA -0.16 0.04 0.61 -0.75 4.56 4.29 3hwkH1 TYR 204 HB2 -0.22 0.21 0.05 -0.04 3.06 3.06 3hwkH1 TYR 204 HB3 -0.20 -0.04 -0.01 -0.04 2.98 2.69 3hwkH1 TYR 204 HD2 -0.41 0.04 -0.08 -0.04 7.15 6.67 3hwkH1 TYR 204 HE2 -0.42 -0.04 -0.10 -0.04 6.85 6.25 3hwkH1 ALA 205 H 0.17 0.34 -0.49 -0.55 8.40 7.87 3hwkH1 ALA 205 HA 0.04 0.09 -0.11 -0.75 4.34 3.60 3hwkH1 ALA 205 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 3hwkH1 GLU 206 H 0.19 0.30 -0.37 -0.55 8.60 8.16 3hwkH1 GLU 206 HA 0.10 0.07 0.82 -0.75 4.29 4.53 3hwkH1 GLU 206 HB2 -0.24 0.10 -0.21 -0.04 2.09 1.70 3hwkH1 GLU 206 HB3 -0.83 0.02 -0.16 -0.04 1.99 0.98 3hwkH1 GLU 206 HG2 -0.10 0.08 -0.14 -0.04 2.34 2.14 3hwkH1 GLU 206 HG3 0.20 -0.05 -0.37 -0.04 2.34 2.08 3hwkH1 HIS 207 H 0.30 0.15 0.07 -0.55 8.41 8.38 3hwkH1 HIS 207 HA 0.24 0.06 0.41 -0.75 4.63 4.58 3hwkH1 HIS 207 HB2 0.27 0.14 -0.49 -0.04 3.26 3.15 3hwkH1 HIS 207 HB3 0.26 -0.06 0.09 -0.04 3.20 3.45 3hwkH1 HIS 207 HD2 0.24 0.11 0.10 -0.04 6.97 7.37 3hwkH1 HIS 207 HE1 0.18 -0.06 0.03 -0.04 7.75 7.85 3hwkH1 GLY 208 H 0.28 0.09 0.06 -0.55 8.43 8.32 3hwkH1 GLY 208 HA2 0.36 0.08 0.32 -0.51 4.01 4.25 3hwkH1 GLY 208 HA3 0.10 0.05 0.29 -0.51 4.01 3.94 3hwkH1 PHE 209 H 0.24 0.16 0.10 -0.55 8.34 8.30 3hwkH1 PHE 209 HA -0.06 0.12 0.36 -0.75 4.62 4.28 3hwkH1 PHE 209 HB2 -0.08 0.00 0.16 -0.04 3.15 3.20 3hwkH1 PHE 209 HB3 -0.14 0.07 0.19 -0.04 3.06 3.13 3hwkH1 PHE 209 HD2 -0.04 -0.12 -0.14 -0.04 7.28 6.94 3hwkH1 PHE 209 HE2 0.22 -0.02 -0.12 -0.04 7.38 7.43 3hwkH1 PHE 209 HZ 0.14 0.09 -0.24 -0.04 7.32 7.27 3hwkH1 ASN 210 H 0.16 0.37 -0.49 -0.55 8.53 8.02 3hwkH1 ASN 210 HA 0.02 0.13 0.59 -0.75 4.76 4.75 3hwkH1 ASN 210 HB2 0.06 -0.12 0.14 -0.04 2.88 2.92 3hwkH1 ASN 210 HB3 0.24 0.14 0.11 -0.04 2.79 3.23 3hwkH1 ASN 210 HD21 0.28 -0.07 -0.07 -0.04 7.03 7.13 3hwkH1 ASN 210 HD22 0.27 0.43 -0.18 -0.04 7.74 8.21 3hwkH1 ALA 211 H -0.19 0.16 0.14 -0.55 8.40 7.97 3hwkH1 ALA 211 HA 0.10 0.18 0.15 -0.75 4.34 4.02 3hwkH1 ALA 211 HB3 -0.06 0.03 0.08 -0.04 1.41 1.42 3hwkH1 SER 212 H 0.46 0.05 -0.14 -0.55 8.46 8.29 3hwkH1 SER 212 HA -0.00 0.11 0.55 -0.75 4.49 4.39 3hwkH1 SER 212 HB2 -0.01 0.17 0.10 -0.04 3.95 4.18 3hwkH1 SER 212 HB3 0.23 -0.04 0.07 -0.04 3.93 4.15 3hwkH1 THR 213 H 0.36 0.06 -0.15 -0.55 8.28 8.00 3hwkH1 THR 213 HA 0.08 0.05 0.43 -0.75 4.39 4.19 3hwkH1 THR 213 HB 0.08 0.07 0.09 -0.04 4.32 4.52 3hwkH1 THR 213 HG23 -0.51 0.02 -0.21 -0.04 1.22 0.48 3hwkH1 PHE 214 H 0.13 0.56 -0.42 -0.55 8.34 8.06 3hwkH1 PHE 214 HA -0.25 0.02 0.26 -0.75 4.62 3.89 3hwkH1 PHE 214 HB2 -0.07 0.12 -0.08 -0.04 3.15 3.08 3hwkH1 PHE 214 HB3 -0.06 0.03 -0.00 -0.04 3.06 2.99 3hwkH1 PHE 214 HD2 -0.14 -0.03 -0.06 -0.04 7.28 7.01 3hwkH1 PHE 214 HE2 -0.01 0.01 -0.06 -0.04 7.38 7.28 3hwkH1 PHE 214 HZ 0.01 0.02 -0.05 -0.04 7.32 7.26 3hwkH1 ALA 215 H -0.04 0.58 -0.06 -0.55 8.40 8.33 3hwkH1 ALA 215 HA -0.26 0.02 0.48 -0.75 4.34 3.84 3hwkH1 ALA 215 HB3 -0.15 0.01 0.07 -0.04 1.41 1.30 3hwkH1 ALA 216 H -0.27 0.56 -0.19 -0.55 8.40 7.95 3hwkH1 ALA 216 HA -0.23 0.00 0.42 -0.75 4.34 3.77 3hwkH1 ALA 216 HB3 -0.29 0.03 0.03 -0.04 1.41 1.14 3hwkH1 ARG 217 H -0.22 0.44 -0.22 -0.55 8.46 7.91 3hwkH1 ARG 217 HA -0.11 0.04 0.48 -0.75 4.34 3.99 3hwkH1 ARG 217 HB2 -0.23 0.06 0.05 -0.04 1.90 1.74 3hwkH1 ARG 217 HB3 -0.12 0.01 0.02 -0.04 1.80 1.67 3hwkH1 ARG 217 HG2 -0.05 -0.01 -0.19 -0.04 1.67 1.38 3hwkH1 ARG 217 HG3 -0.16 0.21 -0.05 -0.04 1.67 1.62 3hwkH1 ARG 217 HD2 -0.33 -0.10 -0.12 -0.04 3.22 2.62 3hwkH1 ARG 217 HD3 -0.67 -0.03 -0.13 -0.04 3.22 2.36 3hwkH1 VAL 218 H -0.42 0.59 -0.10 -0.55 8.24 7.76 3hwkH1 VAL 218 HA -0.26 0.04 0.58 -0.75 4.13 3.73 3hwkH1 VAL 218 HB -0.33 0.06 0.22 -0.04 2.12 2.03 3hwkH1 VAL 218 HG13 -0.17 -0.00 -0.06 -0.04 0.97 0.70 3hwkH1 VAL 218 HG23 -0.81 0.04 0.02 -0.04 0.95 0.16 3hwkH1 VAL 219 H -0.19 0.64 0.01 -0.55 8.24 8.15 3hwkH1 VAL 219 HA -0.10 0.01 0.39 -0.75 4.13 3.68 3hwkH1 VAL 219 HB -0.13 0.06 0.09 -0.04 2.12 2.11 3hwkH1 VAL 219 HG13 -0.07 -0.02 -0.34 -0.04 0.97 0.50 3hwkH1 VAL 219 HG23 -0.12 0.04 -0.00 -0.04 0.95 0.83 3hwkH1 THR 220 H -0.11 0.57 -0.22 -0.55 8.28 7.97 3hwkH1 THR 220 HA -0.05 0.07 0.30 -0.75 4.39 3.96 3hwkH1 THR 220 HB -0.06 0.09 0.09 -0.04 4.32 4.40 3hwkH1 THR 220 HG23 -0.03 0.03 -0.05 -0.04 1.22 1.13 3hwkH1 SER 221 H -0.09 0.44 -0.41 -0.55 8.46 7.86 3hwkH1 SER 221 HA -0.03 0.05 0.26 -0.75 4.49 4.01 3hwkH1 SER 221 HB2 -0.03 0.20 0.11 -0.04 3.95 4.19 3hwkH1 SER 221 HB3 -0.07 0.20 0.22 -0.04 3.93 4.23 3hwkH1 THR 222 H -0.05 0.37 -0.39 -0.55 8.28 7.66 3hwkH1 THR 222 HA -0.03 0.12 0.76 -0.75 4.39 4.49 3hwkH1 THR 222 HB -0.03 -0.04 0.15 -0.04 4.32 4.36 3hwkH1 THR 222 HG23 -0.05 0.03 0.01 -0.04 1.22 1.18 3hwkH1 GLN 223 H -0.03 0.55 -0.28 -0.55 8.47 8.16 3hwkH1 GLN 223 HA -0.02 0.13 0.32 -0.75 4.36 4.04 3hwkH1 GLN 223 HB2 -0.02 0.24 0.17 -0.04 2.15 2.50 3hwkH1 GLN 223 HB3 -0.01 -0.10 0.26 -0.04 2.02 2.13 3hwkH1 GLN 223 HG2 -0.01 -0.02 0.07 -0.04 2.40 2.40 3hwkH1 GLN 223 HG3 -0.01 0.05 -0.09 -0.04 2.39 2.30 3hwkH1 GLN 223 HE21 -0.01 -0.06 0.00 -0.04 6.97 6.87 3hwkH1 GLN 223 HE22 -0.01 0.06 -0.02 -0.04 7.69 7.68 3hwkH1 SER 224 H -0.03 0.08 -0.21 -0.55 8.46 7.76 3hwkH1 SER 224 HA -0.02 0.06 0.52 -0.75 4.49 4.30 3hwkH1 SER 224 HB2 -0.03 0.04 0.05 -0.04 3.95 3.96 3hwkH1 SER 224 HB3 -0.04 0.09 -0.12 -0.04 3.93 3.81 3hwkH1 ASP 225 H -0.00 0.02 0.11 -0.55 8.40 7.97 3hwkH1 ASP 225 HA 0.00 0.25 0.28 -0.75 4.63 4.42 3hwkH1 ASP 225 HB2 0.08 0.25 0.08 -0.04 2.71 3.07 3hwkH1 ASP 225 HB3 0.02 0.08 -0.01 -0.04 2.70 2.75 3hwkH1 ILE 226 H 0.01 0.32 0.16 -0.55 8.25 8.19 3hwkH1 ILE 226 HA -0.05 0.11 0.24 -0.75 4.18 3.73 3hwkH1 ILE 226 HB -0.08 0.08 0.10 -0.04 1.89 1.95 3hwkH1 ILE 226 HG12 -0.17 -0.02 -0.10 -0.04 1.49 1.16 3hwkH1 ILE 226 HG13 -0.06 -0.02 0.07 -0.04 1.21 1.16 3hwkH1 ILE 226 HG23 -0.24 0.03 -0.05 -0.04 0.93 0.63 3hwkH1 ILE 226 HD13 -0.11 0.01 -0.00 -0.04 0.88 0.74 3hwkH1 TYR 227 H 0.18 0.13 -0.19 -0.55 8.29 7.86 3hwkH1 TYR 227 HA -0.00 0.13 0.54 -0.75 4.56 4.48 3hwkH1 TYR 227 HB2 -0.02 -0.03 0.06 -0.04 3.06 3.03 3hwkH1 TYR 227 HB3 -0.01 0.09 -0.03 -0.04 2.98 2.99 3hwkH1 TYR 227 HD2 0.00 0.06 0.04 -0.04 7.15 7.21 3hwkH1 TYR 227 HE2 0.00 0.01 -0.09 -0.04 6.85 6.73 3hwkH1 SER 228 H 0.08 0.10 -0.18 -0.55 8.46 7.91 3hwkH1 SER 228 HA 0.01 0.07 0.45 -0.75 4.49 4.26 3hwkH1 SER 228 HB2 -0.01 0.15 0.06 -0.04 3.95 4.11 3hwkH1 SER 228 HB3 -0.03 0.04 -0.02 -0.04 3.93 3.87 3hwkH1 ALA 229 H -0.04 0.46 -0.29 -0.55 8.40 7.98 3hwkH1 ALA 229 HA -0.13 0.03 0.31 -0.75 4.34 3.79 3hwkH1 ALA 229 HB3 -0.10 0.05 0.04 -0.04 1.41 1.36 3hwkH1 VAL 230 H -0.09 0.53 -0.14 -0.55 8.24 7.99 3hwkH1 VAL 230 HA -0.37 -0.03 0.39 -0.75 4.13 3.37 3hwkH1 VAL 230 HB -0.02 0.09 0.13 -0.04 2.12 2.28 3hwkH1 VAL 230 HG13 0.15 -0.02 -0.14 -0.04 0.97 0.93 3hwkH1 VAL 230 HG23 0.05 0.04 0.02 -0.04 0.95 1.02 3hwkH1 THR 231 H -0.05 0.65 -0.26 -0.55 8.28 8.07 3hwkH1 THR 231 HA -0.04 -0.00 0.45 -0.75 4.39 4.04 3hwkH1 THR 231 HB -0.02 0.07 0.12 -0.04 4.32 4.45 3hwkH1 THR 231 HG23 -0.00 -0.01 -0.04 -0.04 1.22 1.13 3hwkH1 GLY 232 H -0.14 0.63 -0.15 -0.55 8.43 8.23 3hwkH1 GLY 232 HA2 -0.12 0.01 0.52 -0.51 4.01 3.92 3hwkH1 GLY 232 HA3 -0.16 0.09 0.26 -0.51 4.01 3.69 3hwkH1 ALA 233 H -0.44 0.61 -0.12 -0.55 8.40 7.91 3hwkH1 ALA 233 HA -0.50 -0.04 0.48 -0.75 4.34 3.51 3hwkH1 ALA 233 HB3 -1.81 0.01 0.02 -0.04 1.41 -0.40 3hwkH1 ILE 234 H -0.39 0.66 -0.20 -0.55 8.25 7.77 3hwkH1 ILE 234 HA 0.09 -0.04 0.39 -0.75 4.18 3.87 3hwkH1 ILE 234 HB -0.03 0.17 0.09 -0.04 1.89 2.08 3hwkH1 ILE 234 HG12 0.29 -0.08 -0.06 -0.04 1.49 1.60 3hwkH1 ILE 234 HG13 -0.01 0.09 -0.01 -0.04 1.21 1.25 3hwkH1 ILE 234 HG23 0.08 -0.03 -0.14 -0.04 0.93 0.79 3hwkH1 ILE 234 HD13 0.11 -0.01 -0.22 -0.04 0.88 0.72 3hwkH1 GLY 235 H -0.11 0.45 -0.28 -0.55 8.43 7.94 3hwkH1 GLY 235 HA2 -0.02 -0.01 0.44 -0.51 4.01 3.91 3hwkH1 GLY 235 HA3 -0.05 0.10 0.30 -0.51 4.01 3.85 3hwkH1 ALA 236 H -0.10 0.58 -0.03 -0.55 8.40 8.31 3hwkH1 ALA 236 HA 0.02 0.04 0.36 -0.75 4.34 4.00 3hwkH1 ALA 236 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 3hwkH1 LEU 237 H -0.02 0.69 -0.11 -0.55 8.37 8.38 3hwkH1 LEU 237 HA -0.29 -0.17 0.32 -0.75 4.35 3.45 3hwkH1 LEU 237 HB2 0.14 0.08 0.11 -0.04 1.64 1.93 3hwkH1 LEU 237 HB3 0.03 0.15 0.02 -0.04 1.64 1.79 3hwkH1 LEU 237 HG -0.51 -0.11 0.04 -0.04 1.64 1.02 3hwkH1 LEU 237 HD13 -1.31 -0.03 0.02 -0.04 0.93 -0.43 3hwkH1 LEU 237 HD23 -0.56 0.02 -0.13 -0.04 0.89 0.18 3hwkH1 LYS 238 H -0.00 0.48 -0.49 -0.55 8.42 7.85 3hwkH1 LYS 238 HA 0.03 -0.05 0.32 -0.75 4.32 3.87 3hwkH1 LYS 238 HB2 0.02 0.10 0.09 -0.04 1.87 2.04 3hwkH1 LYS 238 HB3 -0.01 0.21 0.09 -0.04 1.79 2.03 3hwkH1 LYS 238 HG2 -0.15 -0.04 -0.13 -0.04 1.46 1.10 3hwkH1 LYS 238 HG3 -0.08 -0.12 0.02 -0.04 1.46 1.24 3hwkH1 LYS 238 HD2 -0.01 -0.01 -0.08 -0.04 1.69 1.55 3hwkH1 LYS 238 HD3 -0.05 0.07 -0.04 -0.04 1.68 1.61 3hwkH1 LYS 238 HE2 -0.27 0.01 -0.02 -0.04 2.99 2.67 3hwkH1 LYS 238 HE3 -0.27 -0.12 -0.01 -0.04 2.99 2.55 3hwkH1 GLY 239 H 0.04 0.48 -0.25 -0.55 8.43 8.14 3hwkH1 GLY 239 HA2 0.01 0.04 0.32 -0.51 4.01 3.88 3hwkH1 GLY 239 HA3 0.05 0.07 0.30 -0.51 4.01 3.92 3hwkH1 ARG 240 H 0.04 0.20 0.16 -0.55 8.46 8.31 3hwkH1 ARG 240 HA 0.10 0.02 0.20 -0.75 4.34 3.91 3hwkH1 LEU 241 H 0.08 0.04 -0.44 -0.55 8.37 7.50 3hwkH1 LEU 241 HA 0.10 0.21 0.74 -0.75 4.35 4.64 3hwkH1 LEU 241 HB2 0.05 -0.02 -0.04 -0.04 1.64 1.60 3hwkH1 LEU 241 HB3 0.04 0.02 0.14 -0.04 1.64 1.80 3hwkH1 LEU 241 HG 0.05 -0.06 -0.05 -0.04 1.64 1.54 3hwkH1 LEU 241 HD13 0.02 0.01 -0.01 -0.04 0.93 0.91 3hwkH1 LEU 241 HD23 0.05 0.02 -0.11 -0.04 0.89 0.81 3hwkH1 HIS 242 H 0.18 0.61 -0.29 -0.55 8.41 8.36 3hwkH1 HIS 242 HA 0.10 0.14 0.77 -0.75 4.63 4.89 3hwkH1 HIS 242 HB2 0.05 0.01 -0.08 -0.04 3.26 3.20 3hwkH1 HIS 242 HB3 0.04 0.05 0.23 -0.04 3.20 3.47 3hwkH1 HIS 242 HD2 0.05 0.06 -0.21 -0.04 6.97 6.82 3hwkH1 HIS 242 HE1 0.20 0.05 -0.00 -0.04 7.75 7.95 3hwkH1 GLY 243 H -0.12 0.30 0.23 -0.55 8.43 8.30 3hwkH1 GLY 243 HA2 0.30 -0.00 0.38 -0.51 4.01 4.17 3hwkH1 GLY 243 HA3 -0.23 0.09 0.37 -0.51 4.01 3.73 3hwkH1 GLY 244 H 0.11 0.39 -0.40 -0.55 8.43 7.98 3hwkH1 GLY 244 HA2 0.15 0.00 0.32 -0.51 4.01 3.97 3hwkH1 GLY 244 HA3 0.11 0.11 -0.01 -0.51 4.01 3.71 3hwkH1 ALA 245 H 0.20 0.25 -0.81 -0.55 8.40 7.49 3hwkH1 ALA 245 HA 0.17 0.10 0.37 -0.75 4.34 4.23 3hwkH1 ALA 245 HB3 0.19 0.02 0.01 -0.04 1.41 1.59 3hwkH1 ASN 246 H 0.22 0.29 -0.08 -0.55 8.53 8.42 3hwkH1 ASN 246 HA 0.16 0.15 0.39 -0.75 4.76 4.70 3hwkH1 ASN 246 HB2 0.06 0.05 -0.04 -0.04 2.88 2.91 3hwkH1 ASN 246 HB3 0.14 -0.07 0.09 -0.04 2.79 2.91 3hwkH1 ASN 246 HD21 0.25 0.10 -0.16 -0.04 7.03 7.18 3hwkH1 ASN 246 HD22 0.16 -0.04 -0.07 -0.04 7.74 7.75 3hwkH1 GLU 247 H 0.27 0.14 -0.22 -0.55 8.60 8.24 3hwkH1 GLU 247 HA 0.08 0.10 0.50 -0.75 4.29 4.21 3hwkH1 GLU 247 HB2 0.16 -0.08 0.11 -0.04 2.09 2.24 3hwkH1 GLU 247 HB3 0.19 0.10 0.09 -0.04 1.99 2.32 3hwkH1 GLU 247 HG2 0.08 -0.02 -0.31 -0.04 2.34 2.05 3hwkH1 GLU 247 HG3 -0.17 0.06 -0.23 -0.04 2.34 1.96 3hwkH1 ALA 248 H 0.18 0.34 -0.19 -0.55 8.40 8.19 3hwkH1 ALA 248 HA 0.24 0.00 0.35 -0.75 4.34 4.19 3hwkH1 ALA 248 HB3 0.18 0.02 0.11 -0.04 1.41 1.68 3hwkH1 VAL 249 H 0.17 0.67 -0.12 -0.55 8.24 8.42 3hwkH1 VAL 249 HA 0.21 0.05 0.44 -0.75 4.13 4.08 3hwkH1 VAL 249 HB 0.13 0.12 0.11 -0.04 2.12 2.45 3hwkH1 VAL 249 HG13 0.07 0.01 -0.14 -0.04 0.97 0.88 3hwkH1 VAL 249 HG23 0.28 0.06 -0.31 -0.04 0.95 0.94 3hwkH1 MET 250 H 0.06 0.41 -0.20 -0.55 8.47 8.20 3hwkH1 MET 250 HA -0.17 0.03 0.39 -0.75 4.52 4.02 3hwkH1 MET 250 HB2 0.12 0.04 0.05 -0.04 2.15 2.32 3hwkH1 MET 250 HB3 -0.19 0.08 0.09 -0.04 2.03 1.96 3hwkH1 MET 250 HG2 -0.14 0.04 -0.03 -0.04 2.63 2.45 3hwkH1 MET 250 HG3 -0.55 -0.02 -0.08 -0.04 2.56 1.86 3hwkH1 MET 250 HE3 -2.04 0.00 -0.05 -0.04 2.10 -0.03 3hwkH1 HIS 251 H -0.02 0.45 -0.10 -0.55 8.41 8.19 3hwkH1 HIS 251 HA -0.06 0.03 0.49 -0.75 4.63 4.34 3hwkH1 HIS 251 HB2 0.05 0.08 0.14 -0.04 3.26 3.49 3hwkH1 HIS 251 HB3 0.05 -0.00 -0.03 -0.04 3.20 3.17 3hwkH1 HIS 251 HD2 0.04 -0.04 -0.14 -0.04 6.97 6.78 3hwkH1 HIS 251 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.69 3hwkH1 ASP 252 H 0.11 0.47 -0.31 -0.55 8.40 8.13 3hwkH1 ASP 252 HA 0.07 0.02 0.50 -0.75 4.63 4.47 3hwkH1 ASP 252 HB2 0.08 0.25 0.24 -0.04 2.71 3.25 3hwkH1 ASP 252 HB3 -0.27 -0.05 0.01 -0.04 2.70 2.36 3hwkH1 MET 253 H -0.09 0.40 -0.15 -0.55 8.47 8.08 3hwkH1 MET 253 HA -0.15 0.02 0.32 -0.75 4.52 3.95 3hwkH1 MET 253 HB2 -0.21 0.09 0.10 -0.04 2.15 2.09 3hwkH1 MET 253 HB3 0.11 -0.05 0.07 -0.04 2.03 2.12 3hwkH1 MET 253 HG2 -0.03 -0.03 -0.05 -0.04 2.63 2.48 3hwkH1 MET 253 HG3 -0.07 0.15 -0.02 -0.04 2.56 2.58 3hwkH1 MET 253 HE3 -0.26 0.01 -0.11 -0.04 2.10 1.70 3hwkH1 ILE 254 H -0.07 0.26 -0.50 -0.55 8.25 7.39 3hwkH1 ILE 254 HA 0.13 0.11 0.79 -0.75 4.18 4.46 3hwkH1 ILE 254 HB -0.01 0.06 0.14 -0.04 1.89 2.04 3hwkH1 ILE 254 HG12 -0.04 -0.01 0.01 -0.04 1.49 1.42 3hwkH1 ILE 254 HG13 -0.39 0.09 -0.05 -0.04 1.21 0.81 3hwkH1 ILE 254 HG23 0.07 -0.01 -0.11 -0.04 0.93 0.84 3hwkH1 ILE 254 HD13 -0.17 -0.02 -0.02 -0.04 0.88 0.64 3hwkH1 GLU 255 H -0.00 0.42 -0.02 -0.55 8.60 8.45 3hwkH1 GLU 255 HA 0.05 0.03 0.53 -0.75 4.29 4.15 3hwkH1 ILE 256 H -0.23 0.31 -0.30 -0.55 8.25 7.49 3hwkH1 ILE 256 HA -0.21 0.06 0.64 -0.75 4.18 3.91 3hwkH1 ILE 256 HB -0.25 0.00 0.05 -0.04 1.89 1.66 3hwkH1 ILE 256 HG12 -0.91 -0.04 -0.03 -0.04 1.49 0.47 3hwkH1 ILE 256 HG13 -1.52 0.08 -0.02 -0.04 1.21 -0.29 3hwkH1 ILE 256 HG23 -0.10 -0.03 -0.25 -0.04 0.93 0.52 3hwkH1 ILE 256 HD13 -1.01 -0.03 -0.15 -0.04 0.88 -0.35 3hwkH1 GLY 257 H 0.02 0.41 -0.17 -0.55 8.43 8.14 3hwkH1 GLY 257 HA2 0.05 0.06 0.36 -0.51 4.01 3.97 3hwkH1 GLY 257 HA3 0.00 0.09 0.58 -0.51 4.01 4.18 3hwkH1 ASP 258 H -0.02 0.28 0.00 -0.55 8.40 8.12 3hwkH1 ASP 258 HA -0.11 0.25 0.84 -0.75 4.63 4.85 3hwkH1 PRO 259 HA 0.00 0.14 0.57 -0.51 4.44 4.64 3hwkH1 PRO 259 HB2 -0.01 0.04 -0.05 -0.04 2.28 2.22 3hwkH1 PRO 259 HB3 -0.00 0.00 -0.01 -0.04 2.02 1.97 3hwkH1 PRO 259 HG2 -0.05 0.04 0.07 -0.04 2.03 2.04 3hwkH1 PRO 259 HG3 -0.07 0.07 0.09 -0.04 2.03 2.07 3hwkH1 PRO 259 HD2 -0.06 0.06 0.23 -0.04 3.68 3.88 3hwkH1 PRO 259 HD3 -0.12 0.24 0.25 -0.04 3.65 3.98 3hwkH1 ALA 260 H -0.01 0.12 -0.18 -0.55 8.40 7.78 3hwkH1 ALA 260 HA 0.01 0.09 0.35 -0.75 4.34 4.04 3hwkH1 ALA 260 HB3 0.00 0.02 0.05 -0.04 1.41 1.45 3hwkH1 ASN 261 H 0.02 0.22 -0.43 -0.55 8.53 7.79 3hwkH1 ASN 261 HA 0.07 0.12 0.63 -0.75 4.76 4.83 3hwkH1 ASN 261 HB2 0.04 0.17 0.08 -0.04 2.88 3.12 3hwkH1 ASN 261 HB3 0.10 0.02 0.18 -0.04 2.79 3.05 3hwkH1 ASN 261 HD21 0.02 -0.02 0.02 -0.04 7.03 7.01 3hwkH1 ASN 261 HD22 0.02 0.15 0.10 -0.04 7.74 7.98 3hwkH1 ALA 262 H 0.06 0.31 -0.60 -0.55 8.40 7.63 3hwkH1 ALA 262 HA 0.12 0.12 0.33 -0.75 4.34 4.16 3hwkH1 ALA 262 HB3 0.07 0.00 0.05 -0.04 1.41 1.50 3hwkH1 ARG 263 H 0.07 0.17 -0.00 -0.55 8.46 8.15 3hwkH1 ARG 263 HA 0.07 0.08 0.34 -0.75 4.34 4.07 3hwkH1 GLU 264 H 0.09 0.10 -0.28 -0.55 8.60 7.96 3hwkH1 GLU 264 HA 0.05 0.03 0.30 -0.75 4.29 3.92 3hwkH1 TRP 265 H 0.29 0.39 -0.24 -0.55 7.97 7.87 3hwkH1 TRP 265 HA 0.02 0.01 0.40 -0.75 4.62 4.29 3hwkH1 TRP 265 HB2 0.04 0.11 0.18 -0.04 3.23 3.51 3hwkH1 TRP 265 HB3 0.04 0.07 0.19 -0.04 3.23 3.49 3hwkH1 TRP 265 HD1 0.04 0.02 -0.00 -0.04 7.22 7.24 3hwkH1 TRP 265 HE1 0.05 -0.02 -0.04 -0.04 10.20 10.16 3hwkH1 TRP 265 HE3 0.05 0.03 -0.15 -0.04 7.59 7.48 3hwkH1 TRP 265 HZ2 0.08 -0.03 0.01 -0.04 7.44 7.46 3hwkH1 TRP 265 HZ3 0.08 0.00 -0.07 -0.04 7.13 7.10 3hwkH1 TRP 265 HH2 0.11 -0.03 -0.01 -0.04 7.19 7.22 3hwkH1 LEU 266 H 0.26 0.46 -0.08 -0.55 8.37 8.46 3hwkH1 LEU 266 HA -0.28 0.06 0.45 -0.75 4.35 3.82 3hwkH1 ARG 267 H -0.00 0.51 0.06 -0.55 8.46 8.48 3hwkH1 ARG 267 HA -0.05 0.03 0.40 -0.75 4.34 3.96 3hwkH1 ALA 268 H -0.10 0.39 -0.37 -0.55 8.40 7.78 3hwkH1 ALA 268 HA -0.09 0.00 0.48 -0.75 4.34 3.98 3hwkH1 ALA 268 HB3 -0.13 0.05 0.10 -0.04 1.41 1.38 3hwkH1 LYS 269 H -0.36 0.41 -0.01 -0.55 8.42 7.90 3hwkH1 LYS 269 HA -0.22 -0.02 0.44 -0.75 4.32 3.76 3hwkH1 LEU 270 H -0.16 0.59 -0.23 -0.55 8.37 8.03 3hwkH1 LEU 270 HA -0.09 0.10 0.64 -0.75 4.35 4.25 3hwkH1 LEU 270 HB2 -0.08 0.10 0.13 -0.04 1.64 1.75 3hwkH1 LEU 270 HB3 -0.06 -0.02 -0.05 -0.04 1.64 1.46 3hwkH1 LEU 270 HG -0.07 -0.01 0.00 -0.04 1.64 1.52 3hwkH1 LEU 270 HD13 -0.10 -0.02 -0.17 -0.04 0.93 0.60 3hwkH1 LEU 270 HD23 -0.06 -0.02 -0.05 -0.04 0.89 0.72 3hwkH1 ALA 271 H -0.08 0.44 -0.07 -0.55 8.40 8.14 3hwkH1 ALA 271 HA -0.04 0.03 0.50 -0.75 4.34 4.07 3hwkH1 ALA 271 HB3 -0.05 0.02 0.16 -0.04 1.41 1.50 3hwkH1 ARG 272 H -0.08 0.44 -0.12 -0.55 8.46 8.15 3hwkH1 ARG 272 HA -0.04 0.09 0.61 -0.75 4.34 4.25 3hwkH1 ARG 272 HB2 -0.09 -0.00 0.08 -0.04 1.90 1.85 3hwkH1 ARG 272 HB3 -0.05 -0.05 0.15 -0.04 1.80 1.81 3hwkH1 ARG 272 HG2 -0.05 -0.03 -0.05 -0.04 1.67 1.49 3hwkH1 ARG 272 HG3 -0.08 0.25 0.02 -0.04 1.67 1.82 3hwkH1 ARG 272 HD2 -0.04 -0.03 0.01 -0.04 3.22 3.12 3hwkH1 ARG 272 HD3 -0.05 -0.04 -0.02 -0.04 3.22 3.08 3hwkH1 LYS 273 H -0.05 0.29 -0.95 -0.55 8.42 7.15 3hwkH1 LYS 273 HA -0.04 0.15 0.26 -0.75 4.32 3.93 3hwkH1 GLU 274 H -0.07 0.32 -0.33 -0.55 8.60 7.97 3hwkH1 GLU 274 HA -0.02 -0.01 0.65 -0.75 4.29 4.15 3hwkH1 GLU 274 HB2 -0.11 0.07 0.09 -0.04 2.09 2.10 3hwkH1 GLU 274 HB3 -0.04 0.04 0.01 -0.04 1.99 1.96 3hwkH1 GLU 274 HG2 -0.03 -0.06 0.05 -0.04 2.34 2.26 3hwkH1 GLU 274 HG3 -0.06 0.11 -0.02 -0.04 2.34 2.33 3hwkH1 LYS 275 H 0.01 0.03 0.13 -0.55 8.42 8.04 3hwkH1 LYS 275 HA 0.02 0.11 0.50 -0.75 4.32 4.19 3hwkH1 LYS 275 HB2 0.03 -0.01 0.10 -0.04 1.87 1.96 3hwkH1 LYS 275 HB3 0.06 -0.05 -0.08 -0.04 1.79 1.67 3hwkH1 LYS 275 HG2 0.07 0.05 -0.04 -0.04 1.46 1.50 3hwkH1 LYS 275 HG3 0.04 0.04 0.07 -0.04 1.46 1.57 3hwkH1 LYS 275 HD2 0.03 0.03 -0.00 -0.04 1.69 1.70 3hwkH1 LYS 275 HD3 0.04 -0.06 -0.02 -0.04 1.68 1.60 3hwkH1 LYS 275 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.92 3hwkH1 LYS 275 HE3 0.05 0.01 -0.01 -0.04 2.99 3.00 3hwkH1 ILE 276 H 0.07 0.20 0.11 -0.55 8.25 8.07 3hwkH1 ILE 276 HA 0.15 0.17 0.93 -0.75 4.18 4.68 3hwkH1 ILE 276 HB 0.09 -0.02 0.05 -0.04 1.89 1.97 3hwkH1 ILE 276 HG12 -0.02 0.05 -0.19 -0.04 1.49 1.30 3hwkH1 ILE 276 HG13 -0.05 -0.01 -0.10 -0.04 1.21 1.01 3hwkH1 ILE 276 HG23 0.27 0.01 -0.17 -0.04 0.93 1.00 3hwkH1 ILE 276 HD13 -0.07 0.05 -0.24 -0.04 0.88 0.58 3hwkH1 MET 277 H 0.24 0.19 0.04 -0.55 8.47 8.40 3hwkH1 MET 277 HA 0.17 0.04 0.51 -0.75 4.52 4.48 3hwkH1 MET 277 HB2 0.25 0.03 -0.02 -0.04 2.15 2.36 3hwkH1 MET 277 HB3 0.20 -0.01 0.00 -0.04 2.03 2.18 3hwkH1 MET 277 HG2 0.20 0.05 0.00 -0.04 2.63 2.85 3hwkH1 MET 277 HG3 0.19 -0.02 -0.08 -0.04 2.56 2.62 3hwkH1 MET 277 HE3 0.11 -0.00 -0.06 -0.04 2.10 2.10 3hwkH1 GLY 278 H 0.12 0.15 0.12 -0.55 8.43 8.28 3hwkH1 GLY 278 HA2 0.03 -0.14 0.21 -0.51 4.01 3.61 3hwkH1 GLY 278 HA3 -0.04 0.21 0.57 -0.51 4.01 4.24 3hwkH1 PHE 279 H 0.16 0.49 -0.19 -0.55 8.34 8.24 3hwkH1 PHE 279 HA -0.03 0.08 0.70 -0.75 4.62 4.61 3hwkH1 PHE 279 HB2 -0.06 0.03 -0.07 -0.04 3.15 3.01 3hwkH1 PHE 279 HB3 -0.06 0.04 -0.22 -0.04 3.06 2.78 3hwkH1 PHE 279 HD2 -0.17 0.00 -0.59 -0.04 7.28 6.48 3hwkH1 PHE 279 HE2 -0.54 -0.02 -0.11 -0.04 7.38 6.67 3hwkH1 PHE 279 HZ -0.81 -0.04 -0.22 -0.04 7.32 6.21 3hwkH1 GLY 280 H 0.15 0.18 -0.01 -0.55 8.43 8.19 3hwkH1 GLY 280 HA2 0.12 0.02 0.36 -0.51 4.01 4.00 3hwkH1 GLY 280 HA3 0.11 0.23 0.84 -0.51 4.01 4.69 3hwkH1 HIS 281 H 0.15 0.34 0.13 -0.55 8.41 8.48 3hwkH1 HIS 281 HA 0.09 0.10 0.67 -0.75 4.63 4.73 3hwkH1 HIS 281 HB2 0.16 0.03 -0.25 -0.04 3.26 3.16 3hwkH1 HIS 281 HB3 0.15 0.17 0.04 -0.04 3.20 3.52 3hwkH1 HIS 281 HD2 0.20 0.08 0.09 -0.04 6.97 7.30 3hwkH1 HIS 281 HE1 0.00 0.08 0.03 -0.04 7.75 7.82 3hwkH1 ARG 282 H -0.34 0.14 0.13 -0.55 8.46 7.84 3hwkH1 ARG 282 HA -0.02 0.17 0.48 -0.75 4.34 4.21 3hwkH1 ARG 282 HB2 -0.10 0.04 0.11 -0.04 1.90 1.91 3hwkH1 ARG 282 HB3 -0.17 -0.08 0.11 -0.04 1.80 1.62 3hwkH1 ARG 282 HG2 -0.08 0.04 0.01 -0.04 1.67 1.60 3hwkH1 ARG 282 HG3 -0.06 -0.00 -0.11 -0.04 1.67 1.46 3hwkH1 ARG 282 HD2 -0.04 -0.05 0.06 -0.04 3.22 3.15 3hwkH1 ARG 282 HD3 -0.03 0.04 0.13 -0.04 3.22 3.33 3hwkH1 VAL 283 H 0.40 -0.14 -0.26 -0.55 8.24 7.68 3hwkH1 VAL 283 HA 0.01 0.30 0.88 -0.75 4.13 4.56 3hwkH1 VAL 283 HB 0.07 -0.11 0.06 -0.04 2.12 2.09 3hwkH1 VAL 283 HG13 -0.25 0.00 -0.15 -0.04 0.97 0.53 3hwkH1 VAL 283 HG23 -0.06 0.00 -0.13 -0.04 0.95 0.72 3hwkH1 TYR 284 H 0.33 -0.06 -0.01 -0.55 8.29 7.99 3hwkH1 TYR 284 HA 0.01 0.08 0.39 -0.75 4.56 4.29 3hwkH1 TYR 284 HB2 -0.23 -0.06 0.05 -0.04 3.06 2.79 3hwkH1 TYR 284 HB3 -0.07 0.05 -0.32 -0.04 2.98 2.61 3hwkH1 TYR 284 HD2 -0.46 0.07 0.01 -0.04 7.15 6.73 3hwkH1 TYR 284 HE2 0.06 0.05 0.02 -0.04 6.85 6.94 3hwkH1 ARG 285 H 0.07 0.16 0.21 -0.55 8.46 8.35 3hwkH1 ARG 285 HA -0.07 0.20 0.84 -0.75 4.34 4.55 3hwkH1 HIS 286 H 0.07 0.03 -0.03 -0.55 8.41 7.94 3hwkH1 HIS 286 HA 0.04 0.25 0.89 -0.75 4.63 5.04 3hwkH1 HIS 286 HB2 0.04 -0.01 0.18 -0.04 3.26 3.42 3hwkH1 HIS 286 HB3 0.02 0.03 0.13 -0.04 3.20 3.35 3hwkH1 HIS 286 HD2 0.04 -0.03 -0.02 -0.04 6.97 6.92 3hwkH1 HIS 286 HE1 0.02 0.03 -0.03 -0.04 7.75 7.73 3hwkH1 GLY 287 H 0.02 0.13 -0.26 -0.55 8.43 7.78 3hwkH1 GLY 287 HA2 -0.05 0.01 0.32 -0.51 4.01 3.79 3hwkH1 GLY 287 HA3 -0.03 0.19 0.46 -0.51 4.01 4.12 3hwkH1 ASP 288 H -0.21 0.29 0.14 -0.55 8.40 8.08 3hwkH1 ASP 288 HA -1.61 0.05 0.65 -0.75 4.63 2.97 3hwkH1 ASP 288 HB2 -0.28 0.13 0.21 -0.04 2.71 2.72 3hwkH1 ASP 288 HB3 -0.24 0.04 0.21 -0.04 2.70 2.67 3hwkH1 SER 289 H -0.99 0.14 0.20 -0.55 8.46 7.26 3hwkH1 SER 289 HA -0.15 0.26 0.43 -0.75 4.49 4.28 3hwkH1 SER 289 HB2 0.04 0.18 0.09 -0.04 3.95 4.21 3hwkH1 SER 289 HB3 0.08 -0.08 0.14 -0.04 3.93 4.02 3hwkH1 ARG 290 H -0.19 -0.01 -0.28 -0.55 8.46 7.43 3hwkH1 ARG 290 HA -0.10 0.16 0.64 -0.75 4.34 4.29 3hwkH1 ARG 290 HB2 -0.14 -0.05 -0.01 -0.04 1.90 1.65 3hwkH1 ARG 290 HB3 -0.13 0.06 0.09 -0.04 1.80 1.77 3hwkH1 ARG 290 HG2 -0.04 0.05 0.00 -0.04 1.67 1.65 3hwkH1 ARG 290 HG3 -0.00 -0.19 -0.01 -0.04 1.67 1.43 3hwkH1 ARG 290 HD2 -0.06 0.35 0.09 -0.04 3.22 3.55 3hwkH1 ARG 290 HD3 0.06 0.04 0.06 -0.04 3.22 3.34 3hwkH1 VAL 291 H -0.15 0.31 -0.26 -0.55 8.24 7.59 3hwkH1 VAL 291 HA -0.10 0.01 0.33 -0.75 4.13 3.62 3hwkH1 VAL 291 HB -0.09 0.25 0.13 -0.04 2.12 2.37 3hwkH1 VAL 291 HG13 0.04 0.01 -0.16 -0.04 0.97 0.82 3hwkH1 VAL 291 HG23 -0.08 0.02 -0.19 -0.04 0.95 0.66 3hwkH1 PRO 292 HA -0.02 0.07 0.34 -0.51 4.44 4.32 3hwkH1 PRO 292 HB2 -0.04 0.02 0.04 -0.04 2.28 2.25 3hwkH1 PRO 292 HB3 -0.02 0.06 0.06 -0.04 2.02 2.07 3hwkH1 PRO 292 HG2 -0.05 0.12 0.05 -0.04 2.03 2.12 3hwkH1 PRO 292 HG3 -0.03 0.06 0.04 -0.04 2.03 2.06 3hwkH1 PRO 292 HD2 -0.08 0.17 -0.24 -0.04 3.68 3.50 3hwkH1 PRO 292 HD3 -0.09 0.21 0.03 -0.04 3.65 3.76 3hwkH1 THR 293 H -0.07 0.21 -0.16 -0.55 8.28 7.72 3hwkH1 THR 293 HA -0.06 0.05 0.35 -0.75 4.39 3.98 3hwkH1 THR 293 HB -0.09 0.08 0.01 -0.04 4.32 4.27 3hwkH1 THR 293 HG23 -0.06 0.01 -0.02 -0.04 1.22 1.11 3hwkH1 MET 294 H -0.11 0.31 -0.33 -0.55 8.47 7.80 3hwkH1 MET 294 HA -0.13 0.07 0.45 -0.75 4.52 4.15 3hwkH1 MET 294 HB2 -0.20 0.05 0.02 -0.04 2.15 1.98 3hwkH1 MET 294 HB3 -0.17 0.05 0.01 -0.04 2.03 1.88 3hwkH1 MET 294 HG2 -0.32 0.00 -0.08 -0.04 2.63 2.19 3hwkH1 MET 294 HG3 -0.22 -0.02 -0.22 -0.04 2.56 2.06 3hwkH1 MET 294 HE3 -0.13 -0.01 -0.09 -0.04 2.10 1.83 3hwkH1 LYS 295 H -0.09 0.63 -0.03 -0.55 8.42 8.38 3hwkH1 LYS 295 HA -0.23 0.02 0.56 -0.75 4.32 3.92 3hwkH1 ARG 296 H -0.07 0.63 -0.07 -0.55 8.46 8.39 3hwkH1 ARG 296 HA -0.05 0.01 0.39 -0.75 4.34 3.93 3hwkH1 ARG 296 HB2 -0.05 0.12 0.11 -0.04 1.90 2.04 3hwkH1 ARG 296 HB3 -0.04 -0.04 0.03 -0.04 1.80 1.72 3hwkH1 ARG 296 HG2 -0.03 -0.06 0.02 -0.04 1.67 1.55 3hwkH1 ARG 296 HG3 -0.04 0.26 0.00 -0.04 1.67 1.85 3hwkH1 ARG 296 HD2 -0.02 -0.02 -0.01 -0.04 3.22 3.13 3hwkH1 ARG 296 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.10 3hwkH1 ALA 297 H -0.07 0.47 -0.16 -0.55 8.40 8.09 3hwkH1 ALA 297 HA -0.04 0.00 0.43 -0.75 4.34 3.98 3hwkH1 ALA 297 HB3 -0.06 0.03 0.12 -0.04 1.41 1.46 3hwkH1 LEU 298 H -0.12 0.68 -0.16 -0.55 8.37 8.22 3hwkH1 LEU 298 HA -0.09 -0.02 0.38 -0.75 4.35 3.86 3hwkH1 LEU 298 HB2 -0.21 0.07 0.12 -0.04 1.64 1.58 3hwkH1 LEU 298 HB3 -0.23 0.11 0.25 -0.04 1.64 1.72 3hwkH1 LEU 298 HG -0.20 -0.03 -0.24 -0.04 1.64 1.13 3hwkH1 LEU 298 HD13 -0.10 -0.03 -0.08 -0.04 0.93 0.69 3hwkH1 LEU 298 HD23 -0.52 0.02 0.03 -0.04 0.89 0.38 3hwkH1 GLU 299 H -0.10 0.67 -0.17 -0.55 8.60 8.45 3hwkH1 GLU 299 HA -0.05 -0.04 0.50 -0.75 4.29 3.94 3hwkH1 GLU 299 HB2 -0.05 0.14 0.22 -0.04 2.09 2.36 3hwkH1 GLU 299 HB3 -0.03 -0.05 -0.01 -0.04 1.99 1.86 3hwkH1 GLU 299 HG2 -0.03 -0.06 0.02 -0.04 2.34 2.23 3hwkH1 GLU 299 HG3 -0.08 -0.01 0.03 -0.04 2.34 2.24 3hwkH1 ARG 300 H -0.04 0.74 0.06 -0.55 8.46 8.67 3hwkH1 ARG 300 HA -0.02 -0.03 0.34 -0.75 4.34 3.87 3hwkH1 ARG 300 HB2 -0.02 0.12 0.17 -0.04 1.90 2.13 3hwkH1 ARG 300 HB3 -0.02 -0.08 0.01 -0.04 1.80 1.67 3hwkH1 ARG 300 HG2 -0.02 -0.06 0.04 -0.04 1.67 1.59 3hwkH1 ARG 300 HG3 -0.03 0.16 -0.01 -0.04 1.67 1.75 3hwkH1 ARG 300 HD2 -0.01 -0.00 -0.00 -0.04 3.22 3.16 3hwkH1 ARG 300 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.12 3hwkH1 VAL 301 H -0.03 0.61 -0.28 -0.55 8.24 8.00 3hwkH1 VAL 301 HA -0.02 -0.03 0.38 -0.75 4.13 3.71 3hwkH1 VAL 301 HB -0.02 0.13 0.08 -0.04 2.12 2.27 3hwkH1 VAL 301 HG13 -0.03 -0.00 -0.16 -0.04 0.97 0.73 3hwkH1 VAL 301 HG23 -0.01 0.05 -0.04 -0.04 0.95 0.90 3hwkH1 GLY 302 H -0.02 0.60 -0.07 -0.55 8.43 8.40 3hwkH1 GLY 302 HA2 0.05 -0.01 0.32 -0.51 4.01 3.86 3hwkH1 GLY 302 HA3 0.01 0.06 0.32 -0.51 4.01 3.89 3hwkH1 THR 303 H -0.01 0.50 -0.34 -0.55 8.28 7.88 3hwkH1 THR 303 HA -0.01 -0.02 0.40 -0.75 4.39 4.01 3hwkH1 THR 303 HB -0.01 -0.05 0.10 -0.04 4.32 4.32 3hwkH1 THR 303 HG23 -0.01 0.08 -0.02 -0.04 1.22 1.22 3hwkH1 VAL 304 H -0.01 0.37 -0.28 -0.55 8.24 7.76 3hwkH1 VAL 304 HA -0.02 0.17 0.95 -0.75 4.13 4.48 3hwkH1 VAL 304 HB -0.03 0.04 0.07 -0.04 2.12 2.16 3hwkH1 VAL 304 HG13 -0.03 -0.02 0.13 -0.04 0.97 1.01 3hwkH1 VAL 304 HG23 -0.02 0.04 -0.03 -0.04 0.95 0.90 3hwkH1 ARG 305 H -0.00 0.22 -0.16 -0.55 8.46 7.96 3hwkH1 ARG 305 HA -0.03 0.22 0.95 -0.75 4.34 4.73 3hwkH1 ARG 305 HB2 0.01 -0.04 -0.04 -0.04 1.90 1.79 3hwkH1 ARG 305 HB3 -0.02 0.07 0.16 -0.04 1.80 1.96 3hwkH1 ARG 305 HG2 -0.05 -0.14 -0.34 -0.04 1.67 1.10 3hwkH1 ARG 305 HG3 -0.07 -0.00 -0.15 -0.04 1.67 1.40 3hwkH1 ARG 305 HD2 -0.11 0.09 0.07 -0.04 3.22 3.23 3hwkH1 ARG 305 HD3 -0.08 0.07 0.03 -0.04 3.22 3.20 3hwkH1 ASP 306 H 0.00 0.13 -0.10 -0.55 8.40 7.89 3hwkH1 ASP 306 HA -0.00 -0.06 0.38 -0.75 4.63 4.20 3hwkH1 ASP 306 HB2 -0.01 0.00 -0.07 -0.04 2.71 2.60 3hwkH1 ASP 306 HB3 0.01 0.24 -0.05 -0.04 2.70 2.86 3hwkH1 GLY 307 H 0.04 0.34 0.12 -0.55 8.43 8.38 3hwkH1 GLY 307 HA2 0.08 0.26 0.89 -0.51 4.01 4.74 3hwkH1 GLY 307 HA3 0.26 0.09 0.25 -0.51 4.01 4.10 3hwkH1 GLN 308 H -0.05 0.22 -0.01 -0.55 8.47 8.09 3hwkH1 GLN 308 HA -0.02 0.07 0.48 -0.75 4.36 4.13 3hwkH1 GLN 308 HB2 -0.04 0.05 0.12 -0.04 2.15 2.24 3hwkH1 GLN 308 HB3 -0.08 0.04 0.05 -0.04 2.02 1.99 3hwkH1 GLN 308 HG2 -0.03 0.05 0.00 -0.04 2.40 2.38 3hwkH1 GLN 308 HG3 -0.04 -0.04 -0.02 -0.04 2.39 2.25 3hwkH1 GLN 308 HE21 0.00 0.05 -0.03 -0.04 6.97 6.95 3hwkH1 GLN 308 HE22 0.00 -0.05 -0.03 -0.04 7.69 7.57 3hwkH1 ARG 309 H -0.29 0.18 -0.13 -0.55 8.46 7.67 3hwkH1 ARG 309 HA -0.29 0.01 0.34 -0.75 4.34 3.65 3hwkH1 ARG 309 HB2 -0.49 -0.01 0.12 -0.04 1.90 1.48 3hwkH1 ARG 309 HB3 -1.37 0.08 0.01 -0.04 1.80 0.48 3hwkH1 ARG 309 HG2 -0.52 -0.02 0.16 -0.04 1.67 1.25 3hwkH1 ARG 309 HG3 -0.37 -0.06 0.10 -0.04 1.67 1.29 3hwkH1 ARG 309 HD2 -1.80 -0.01 -0.01 -0.04 3.22 1.36 3hwkH1 ARG 309 HD3 -0.55 0.35 0.12 -0.04 3.22 3.10 3hwkH1 TRP 310 H -0.28 0.26 -0.60 -0.55 7.97 6.80 3hwkH1 TRP 310 HA -0.03 0.15 0.65 -0.75 4.62 4.63 3hwkH1 TRP 310 HB2 -0.02 0.10 0.04 -0.04 3.23 3.30 3hwkH1 TRP 310 HB3 -0.05 -0.02 0.02 -0.04 3.23 3.14 3hwkH1 TRP 310 HD1 0.06 0.01 0.04 -0.04 7.22 7.29 3hwkH1 TRP 310 HE1 0.20 0.10 -0.00 -0.04 10.20 10.46 3hwkH1 TRP 310 HE3 -0.09 -0.04 -0.05 -0.04 7.59 7.36 3hwkH1 TRP 310 HZ2 0.12 0.03 -0.01 -0.04 7.44 7.53 3hwkH1 TRP 310 HZ3 -0.13 0.31 -0.02 -0.04 7.13 7.25 3hwkH1 TRP 310 HH2 -0.09 0.02 0.01 -0.04 7.19 7.08 3hwkH1 LEU 311 H 0.10 0.39 0.12 -0.55 8.37 8.43 3hwkH1 LEU 311 HA 0.07 0.05 0.52 -0.75 4.35 4.24 3hwkH1 LEU 311 HB2 0.03 0.01 0.20 -0.04 1.64 1.83 3hwkH1 LEU 311 HB3 0.04 -0.04 0.02 -0.04 1.64 1.62 3hwkH1 LEU 311 HG 0.04 0.09 -0.00 -0.04 1.64 1.73 3hwkH1 LEU 311 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 3hwkH1 LEU 311 HD23 -0.09 0.00 -0.07 -0.04 0.89 0.70 3hwkH1 ASP 312 H 0.02 0.67 -0.17 -0.55 8.40 8.37 3hwkH1 ASP 312 HA 0.06 0.03 0.49 -0.75 4.63 4.45 3hwkH1 ASP 312 HB2 -0.04 0.12 0.08 -0.04 2.71 2.83 3hwkH1 ASP 312 HB3 0.00 -0.04 -0.02 -0.04 2.70 2.60 3hwkH1 ILE 313 H 0.05 0.38 -0.10 -0.55 8.25 8.03 3hwkH1 ILE 313 HA 0.08 -0.04 0.37 -0.75 4.18 3.84 3hwkH1 ILE 313 HB 0.17 0.10 0.10 -0.04 1.89 2.21 3hwkH1 ILE 313 HG12 0.01 -0.10 -0.16 -0.04 1.49 1.20 3hwkH1 ILE 313 HG13 -0.01 0.18 0.07 -0.04 1.21 1.40 3hwkH1 ILE 313 HG23 0.06 -0.01 -0.06 -0.04 0.93 0.89 3hwkH1 ILE 313 HD13 0.04 -0.01 -0.26 -0.04 0.88 0.61 3hwkH1 TYR 314 H 0.22 0.32 -0.65 -0.55 8.29 7.63 3hwkH1 TYR 314 HA 0.15 0.06 0.45 -0.75 4.56 4.46 3hwkH1 TYR 314 HB2 -0.05 0.13 0.09 -0.04 3.06 3.19 3hwkH1 TYR 314 HB3 0.04 0.12 0.19 -0.04 2.98 3.29 3hwkH1 TYR 314 HD2 -0.30 0.04 -0.10 -0.04 7.15 6.76 3hwkH1 TYR 314 HE2 0.01 -0.05 -0.17 -0.04 6.85 6.60 3hwkH1 GLN 315 H 0.28 0.53 0.10 -0.55 8.47 8.83 3hwkH1 GLN 315 HA 0.11 -0.02 0.30 -0.75 4.36 3.99 3hwkH1 VAL 316 H 0.10 0.60 -0.19 -0.55 8.24 8.19 3hwkH1 VAL 316 HA 0.05 -0.00 0.48 -0.75 4.13 3.91 3hwkH1 LEU 317 H 0.12 0.50 -0.07 -0.55 8.37 8.37 3hwkH1 LEU 317 HA 0.07 -0.06 0.15 -0.75 4.35 3.76 3hwkH1 LEU 317 HB2 0.18 0.13 0.19 -0.04 1.64 2.10 3hwkH1 LEU 317 HB3 0.35 0.07 0.04 -0.04 1.64 2.07 3hwkH1 LEU 317 HG 0.13 -0.04 0.01 -0.04 1.64 1.70 3hwkH1 LEU 317 HD13 0.24 -0.02 -0.03 -0.04 0.93 1.08 3hwkH1 LEU 317 HD23 0.40 -0.00 -0.07 -0.04 0.89 1.17 3hwkH1 ALA 318 H 0.06 0.38 -0.59 -0.55 8.40 7.71 3hwkH1 ALA 318 HA 0.05 0.09 0.52 -0.75 4.34 4.25 3hwkH1 ALA 318 HB3 -0.02 -0.00 0.04 -0.04 1.41 1.38 3hwkH1 ALA 319 H 0.02 0.51 0.12 -0.55 8.40 8.50 3hwkH1 ALA 319 HA 0.00 -0.01 0.49 -0.75 4.34 4.07 3hwkH1 ALA 319 HB3 0.02 0.02 0.18 -0.04 1.41 1.59 3hwkH1 GLU 320 H -0.01 0.68 -0.09 -0.55 8.60 8.64 3hwkH1 GLU 320 HA -0.02 -0.00 0.32 -0.75 4.29 3.83 3hwkH1 MET 321 H -0.13 0.37 -0.78 -0.55 8.47 7.39 3hwkH1 MET 321 HA -0.15 0.07 0.79 -0.75 4.52 4.47 3hwkH1 MET 321 HB2 -0.58 0.30 0.12 -0.04 2.15 1.94 3hwkH1 MET 321 HB3 -0.59 -0.02 -0.00 -0.04 2.03 1.38 3hwkH1 MET 321 HG2 -0.20 -0.02 0.04 -0.04 2.63 2.40 3hwkH1 MET 321 HG3 -0.24 0.03 -0.10 -0.04 2.56 2.21 3hwkH1 MET 321 HE3 -0.26 -0.01 -0.05 -0.04 2.10 1.74 3hwkH1 ALA 322 H -0.09 0.46 0.15 -0.55 8.40 8.38 3hwkH1 ALA 322 HA -0.04 0.08 0.55 -0.75 4.34 4.17 3hwkH1 ALA 322 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 3hwkH1 SER 323 H -0.03 0.55 0.08 -0.55 8.46 8.51 3hwkH1 SER 323 HA -0.01 0.07 0.42 -0.75 4.49 4.21 3hwkH1 SER 323 HB2 -0.02 0.00 0.02 -0.04 3.95 3.91 3hwkH1 SER 323 HB3 -0.01 -0.01 -0.02 -0.04 3.93 3.85 3hwkH1 ALA 324 H -0.06 0.10 -0.42 -0.55 8.40 7.47 3hwkH1 ALA 324 HA -0.03 0.09 0.29 -0.75 4.34 3.94 3hwkH1 ALA 324 HB3 -0.05 0.01 0.07 -0.04 1.41 1.40 3hwkH1 THR 325 H -0.06 0.09 -0.37 -0.55 8.28 7.39 3hwkH1 THR 325 HA -0.04 0.19 0.83 -0.75 4.39 4.63 3hwkH1 THR 325 HB -0.04 -0.05 0.07 -0.04 4.32 4.25 3hwkH1 THR 325 HG23 -0.07 -0.01 -0.16 -0.04 1.22 0.94 3hwkH1 GLY 326 H -0.04 0.23 0.03 -0.55 8.43 8.10 3hwkH1 GLY 326 HA2 -0.00 0.12 0.43 -0.51 4.01 4.04 3hwkH1 GLY 326 HA3 0.00 0.07 0.65 -0.51 4.01 4.23 3hwkH1 ILE 327 H -0.03 0.10 -0.32 -0.55 8.25 7.45 3hwkH1 ILE 327 HA 0.03 0.10 0.60 -0.75 4.18 4.15 3hwkH1 ILE 327 HB 0.00 0.02 -0.02 -0.04 1.89 1.85 3hwkH1 ILE 327 HG12 0.02 -0.00 -0.05 -0.04 1.49 1.41 3hwkH1 ILE 327 HG13 -0.00 0.11 -0.18 -0.04 1.21 1.10 3hwkH1 ILE 327 HG23 0.11 0.01 -0.10 -0.04 0.93 0.91 3hwkH1 ILE 327 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.81 3hwkH1 LEU 328 H 0.07 0.09 0.14 -0.55 8.37 8.13 3hwkH1 LEU 328 HA 0.16 0.24 0.69 -0.75 4.35 4.68 3hwkH1 LEU 328 HB2 0.04 -0.14 0.06 -0.04 1.64 1.56 3hwkH1 LEU 328 HB3 0.04 0.03 0.08 -0.04 1.64 1.75 3hwkH1 LEU 328 HG 0.05 0.15 -0.04 -0.04 1.64 1.75 3hwkH1 LEU 328 HD13 0.05 -0.04 -0.07 -0.04 0.93 0.82 3hwkH1 LEU 328 HD23 0.06 0.02 -0.09 -0.04 0.89 0.84 3hwkH1 PRO 329 HA -0.83 0.33 0.70 -0.51 4.44 4.12 3hwkH1 PRO 329 HB2 -0.06 -0.04 -0.03 -0.04 2.28 2.10 3hwkH1 PRO 329 HB3 -0.47 0.09 0.10 -0.04 2.02 1.69 3hwkH1 PRO 329 HG2 0.01 -0.07 0.10 -0.04 2.03 2.03 3hwkH1 PRO 329 HG3 0.02 0.05 0.05 -0.04 2.03 2.11 3hwkH1 PRO 329 HD2 0.09 0.05 0.21 -0.04 3.68 3.99 3hwkH1 PRO 329 HD3 0.30 0.22 0.13 -0.04 3.65 4.26 3hwkH1 ASN 330 H -0.24 0.60 0.24 -0.55 8.53 8.58 3hwkH1 ASN 330 HA -0.06 0.11 0.88 -0.75 4.76 4.93 3hwkH1 ASN 330 HB2 0.12 -0.12 0.12 -0.04 2.88 2.96 3hwkH1 ASN 330 HB3 0.11 0.09 -0.02 -0.04 2.79 2.94 3hwkH1 ASN 330 HD21 0.12 -0.05 -0.16 -0.04 7.03 6.90 3hwkH1 ASN 330 HD22 0.17 0.31 -0.11 -0.04 7.74 8.07 3hwkH1 LEU 331 H -0.04 0.12 0.09 -0.55 8.37 8.00 3hwkH1 LEU 331 HA -0.10 0.08 0.19 -0.75 4.35 3.76 3hwkH1 LEU 331 HB2 -0.16 -0.07 0.00 -0.04 1.64 1.38 3hwkH1 LEU 331 HB3 -0.08 -0.00 0.06 -0.04 1.64 1.57 3hwkH1 LEU 331 HG -0.53 0.01 -0.30 -0.04 1.64 0.77 3hwkH1 LEU 331 HD13 -0.33 0.01 -0.10 -0.04 0.93 0.46 3hwkH1 LEU 331 HD23 -0.41 0.01 -0.17 -0.04 0.89 0.28 3hwkH1 ASP 332 H 0.06 0.06 -0.31 -0.55 8.40 7.67 3hwkH1 ASP 332 HA 0.03 0.03 0.36 -0.75 4.63 4.30 3hwkH1 ASP 332 HB2 0.13 0.02 -0.06 -0.04 2.71 2.76 3hwkH1 ASP 332 HB3 0.15 -0.01 -0.15 -0.04 2.70 2.65 3hwkH1 PHE 333 H 0.10 0.66 -0.29 -0.55 8.34 8.25 3hwkH1 PHE 333 HA -0.03 0.05 0.36 -0.75 4.62 4.25 3hwkH1 PHE 333 HB2 -0.31 0.08 0.23 -0.04 3.15 3.11 3hwkH1 PHE 333 HB3 -0.10 -0.00 0.11 -0.04 3.06 3.03 3hwkH1 PHE 333 HD2 -0.17 -0.05 -0.04 -0.04 7.28 6.97 3hwkH1 PHE 333 HE2 -0.20 0.04 -0.05 -0.04 7.38 7.12 3hwkH1 PHE 333 HZ 0.14 0.05 -0.08 -0.04 7.32 7.39 3hwkH1 PRO 334 HA -0.30 0.12 0.53 -0.51 4.44 4.27 3hwkH1 PRO 334 HB2 -0.23 0.07 -0.27 -0.04 2.28 1.81 3hwkH1 PRO 334 HB3 -0.29 0.01 0.00 -0.04 2.02 1.70 3hwkH1 PRO 334 HG2 -0.15 0.06 -0.01 -0.04 2.03 1.89 3hwkH1 PRO 334 HG3 -0.03 0.01 -0.02 -0.04 2.03 1.94 3hwkH1 PRO 334 HD2 0.02 0.12 -0.01 -0.04 3.68 3.77 3hwkH1 PRO 334 HD3 0.24 0.10 0.03 -0.04 3.65 3.98 3hwkH1 THR 335 H -0.22 0.42 -0.26 -0.55 8.28 7.68 3hwkH1 THR 335 HA -0.45 0.01 0.37 -0.75 4.39 3.56 3hwkH1 THR 335 HB -0.29 0.04 0.02 -0.04 4.32 4.04 3hwkH1 THR 335 HG23 -0.91 -0.01 -0.14 -0.04 1.22 0.12 3hwkH1 GLY 336 H -0.19 0.44 -0.27 -0.55 8.43 7.86 3hwkH1 GLY 336 HA2 -0.10 -0.02 0.31 -0.51 4.01 3.69 3hwkH1 GLY 336 HA3 -0.06 0.13 0.33 -0.51 4.01 3.90 3hwkH1 PRO 337 HA -0.19 0.07 0.50 -0.51 4.44 4.31 3hwkH1 PRO 337 HB2 -0.10 -0.01 -0.09 -0.04 2.28 2.05 3hwkH1 PRO 337 HB3 -0.22 0.03 0.04 -0.04 2.02 1.83 3hwkH1 PRO 337 HG2 -0.21 0.11 0.04 -0.04 2.03 1.93 3hwkH1 PRO 337 HG3 -0.21 0.04 0.01 -0.04 2.03 1.83 3hwkH1 PRO 337 HD2 -0.24 0.13 -0.17 -0.04 3.68 3.36 3hwkH1 PRO 337 HD3 -0.23 0.12 0.09 -0.04 3.65 3.59 3hwkH1 ALA 338 H -0.19 0.44 -0.31 -0.55 8.40 7.80 3hwkH1 ALA 338 HA -0.04 0.02 0.44 -0.75 4.34 4.00 3hwkH1 ALA 338 HB3 -0.13 0.02 0.07 -0.04 1.41 1.32 3hwkH1 TYR 339 H -0.19 0.70 -0.10 -0.55 8.29 8.15 3hwkH1 TYR 339 HA 0.11 -0.00 0.40 -0.75 4.56 4.31 3hwkH1 TYR 339 HB2 -1.33 0.16 0.05 -0.04 3.06 1.89 3hwkH1 TYR 339 HB3 -0.32 -0.03 -0.09 -0.04 2.98 2.49 3hwkH1 TYR 339 HD2 -0.33 -0.05 -0.12 -0.04 7.15 6.61 3hwkH1 TYR 339 HE2 0.00 -0.00 -0.07 -0.04 6.85 6.74 3hwkH1 TYR 340 H 0.19 0.28 -0.30 -0.55 8.29 7.90 3hwkH1 TYR 340 HA 0.28 0.19 0.38 -0.75 4.56 4.66 3hwkH1 TYR 340 HB2 0.09 0.01 0.11 -0.04 3.06 3.23 3hwkH1 TYR 340 HB3 -0.25 0.08 0.17 -0.04 2.98 2.94 3hwkH1 TYR 340 HD2 -0.31 -0.01 -0.07 -0.04 7.15 6.72 3hwkH1 TYR 340 HE2 0.02 -0.03 -0.02 -0.04 6.85 6.78 3hwkH1 LEU 341 H 0.05 0.58 -0.16 -0.55 8.37 8.29 3hwkH1 LEU 341 HA -0.05 0.07 0.31 -0.75 4.35 3.92 3hwkH1 LEU 341 HB2 0.01 0.09 0.12 -0.04 1.64 1.82 3hwkH1 LEU 341 HB3 0.00 -0.05 -0.09 -0.04 1.64 1.46 3hwkH1 LEU 341 HG 0.12 0.04 0.01 -0.04 1.64 1.76 3hwkH1 LEU 341 HD13 0.13 -0.05 -0.11 -0.04 0.93 0.87 3hwkH1 LEU 341 HD23 0.27 -0.03 -0.12 -0.04 0.89 0.97 3hwkH1 MET 342 H -0.07 0.33 -0.33 -0.55 8.47 7.85 3hwkH1 MET 342 HA -0.25 -0.02 0.43 -0.75 4.52 3.93 3hwkH1 MET 342 HB2 -0.35 0.08 0.12 -0.04 2.15 1.96 3hwkH1 MET 342 HB3 -0.58 -0.07 0.05 -0.04 2.03 1.38 3hwkH1 MET 342 HG2 -0.07 -0.11 0.03 -0.04 2.63 2.44 3hwkH1 MET 342 HG3 -0.01 0.21 0.04 -0.04 2.56 2.76 3hwkH1 MET 342 HE3 0.18 -0.04 -0.24 -0.04 2.10 1.96 3hwkH1 GLY 343 H -0.22 0.36 -0.52 -0.55 8.43 7.51 3hwkH1 GLY 343 HA2 -0.23 0.05 0.22 -0.51 4.01 3.53 3hwkH1 GLY 343 HA3 -0.43 0.12 0.76 -0.51 4.01 3.95 3hwkH1 PHE 344 H -0.10 0.29 -0.03 -0.55 8.34 7.95 3hwkH1 PHE 344 HA 0.17 0.03 0.35 -0.75 4.62 4.42 3hwkH1 PHE 344 HB2 0.39 0.01 -0.10 -0.04 3.15 3.40 3hwkH1 PHE 344 HB3 0.33 0.00 -0.11 -0.04 3.06 3.24 3hwkH1 PHE 344 HD2 -0.13 -0.02 -0.06 -0.04 7.28 7.03 3hwkH1 PHE 344 HE2 -0.20 -0.02 -0.08 -0.04 7.38 7.04 3hwkH1 PHE 344 HZ -0.38 -0.06 -0.08 -0.04 7.32 6.76 3hwkH1 ASP 345 H 0.22 0.14 0.14 -0.55 8.40 8.36 3hwkH1 ASP 345 HA 0.05 0.13 0.61 -0.75 4.63 4.66 3hwkH1 ASP 345 HB2 0.06 0.09 0.15 -0.04 2.71 2.97 3hwkH1 ASP 345 HB3 -0.01 -0.23 -0.07 -0.04 2.70 2.35 3hwkH1 ILE 346 H -0.17 0.21 0.15 -0.55 8.25 7.89 3hwkH1 ILE 346 HA -2.06 0.13 0.34 -0.75 4.18 1.83 3hwkH1 ILE 346 HB -0.45 -0.01 0.08 -0.04 1.89 1.48 3hwkH1 ILE 346 HG12 -0.31 0.04 0.01 -0.04 1.49 1.18 3hwkH1 ILE 346 HG13 -0.10 0.03 0.11 -0.04 1.21 1.20 3hwkH1 ILE 346 HG23 -0.74 -0.02 0.02 -0.04 0.93 0.14 3hwkH1 ILE 346 HD13 -0.26 0.01 -0.05 -0.04 0.88 0.54 3hwkH1 ALA 347 H -0.16 0.15 -0.09 -0.55 8.40 7.75 3hwkH1 ALA 347 HA -0.09 0.04 0.43 -0.75 4.34 3.96 3hwkH1 ALA 347 HB3 -0.08 0.04 0.08 -0.04 1.41 1.41 3hwkH1 SER 348 H -0.04 0.37 -0.76 -0.55 8.46 7.47 3hwkH1 SER 348 HA 0.02 0.10 0.62 -0.75 4.49 4.48 3hwkH1 SER 348 HB2 0.10 0.15 0.01 -0.04 3.95 4.17 3hwkH1 SER 348 HB3 0.04 -0.04 0.08 -0.04 3.93 3.97 3hwkH1 PHE 349 H 0.20 0.48 -0.26 -0.55 8.34 8.21 3hwkH1 PHE 349 HA 0.21 0.08 0.30 -0.75 4.62 4.46 3hwkH1 PHE 349 HB2 0.14 0.05 0.10 -0.04 3.15 3.40 3hwkH1 PHE 349 HB3 0.23 -0.11 -0.13 -0.04 3.06 3.00 3hwkH1 PHE 349 HD2 0.14 -0.05 -0.31 -0.04 7.28 7.01 3hwkH1 PHE 349 HE2 0.18 0.08 -0.27 -0.04 7.38 7.33 3hwkH1 PHE 349 HZ 0.25 0.01 -0.20 -0.04 7.32 7.34 3hwkH1 THR 350 H 0.24 0.18 -0.13 -0.55 8.28 8.02 3hwkH1 THR 350 HA 0.23 0.07 0.53 -0.75 4.39 4.47 3hwkH1 THR 350 HB 0.19 0.04 -0.05 -0.04 4.32 4.45 3hwkH1 THR 350 HG23 0.06 0.02 -0.20 -0.04 1.22 1.05 3hwkH1 PRO 351 HA 0.05 0.02 0.55 -0.51 4.44 4.55 3hwkH1 PRO 351 HB2 0.02 0.15 -0.04 -0.04 2.28 2.37 3hwkH1 PRO 351 HB3 0.03 0.02 0.01 -0.04 2.02 2.04 3hwkH1 PRO 351 HG2 0.01 0.10 -0.07 -0.04 2.03 2.03 3hwkH1 PRO 351 HG3 0.05 -0.02 -0.26 -0.04 2.03 1.76 3hwkH1 PRO 351 HD2 0.08 0.03 -0.27 -0.04 3.68 3.48 3hwkH1 PRO 351 HD3 0.10 0.04 -0.05 -0.04 3.65 3.70 3hwkH1 ILE 352 H 0.03 0.51 -0.33 -0.55 8.25 7.91 3hwkH1 ILE 352 HA -0.20 0.04 0.50 -0.75 4.18 3.76 3hwkH1 ILE 352 HB -0.09 0.15 0.10 -0.04 1.89 2.00 3hwkH1 ILE 352 HG12 -0.35 -0.05 -0.04 -0.04 1.49 1.02 3hwkH1 ILE 352 HG13 -0.14 0.08 -0.01 -0.04 1.21 1.11 3hwkH1 ILE 352 HG23 -0.35 -0.02 -0.11 -0.04 0.93 0.41 3hwkH1 ILE 352 HD13 -0.90 -0.01 -0.12 -0.04 0.88 -0.20 3hwkH1 PHE 353 H 0.15 0.37 -0.20 -0.55 8.34 8.11 3hwkH1 PHE 353 HA -0.33 0.01 0.39 -0.75 4.62 3.94 3hwkH1 PHE 353 HB2 -0.28 0.05 0.14 -0.04 3.15 3.02 3hwkH1 PHE 353 HB3 -0.20 0.19 0.16 -0.04 3.06 3.16 3hwkH1 PHE 353 HD2 -0.42 -0.01 0.08 -0.04 7.28 6.90 3hwkH1 PHE 353 HE2 -0.20 0.06 -0.03 -0.04 7.38 7.16 3hwkH1 PHE 353 HZ -0.04 -0.04 -0.04 -0.04 7.32 7.16 3hwkH1 VAL 354 H -0.03 0.42 -0.28 -0.55 8.24 7.81 3hwkH1 VAL 354 HA -0.46 -0.05 0.33 -0.75 4.13 3.20 3hwkH1 VAL 354 HB 0.01 0.25 0.12 -0.04 2.12 2.46 3hwkH1 VAL 354 HG13 0.22 -0.02 -0.15 -0.04 0.97 0.98 3hwkH1 VAL 354 HG23 0.09 0.05 0.01 -0.04 0.95 1.06 3hwkH1 MET 355 H -0.08 0.44 -0.25 -0.55 8.47 8.04 3hwkH1 MET 355 HA 0.01 0.02 0.28 -0.75 4.52 4.07 3hwkH1 MET 355 HB2 -0.18 0.25 0.10 -0.04 2.15 2.28 3hwkH1 MET 355 HB3 -0.08 -0.04 -0.04 -0.04 2.03 1.83 3hwkH1 MET 355 HG2 -0.11 -0.06 -0.18 -0.04 2.63 2.23 3hwkH1 MET 355 HG3 -0.11 0.09 -0.04 -0.04 2.56 2.46 3hwkH1 MET 355 HE3 -0.98 0.00 -0.03 -0.04 2.10 1.05 3hwkH1 SER 356 H -0.10 0.29 -0.49 -0.55 8.46 7.60 3hwkH1 SER 356 HA -0.08 0.09 0.75 -0.75 4.49 4.50 3hwkH1 SER 356 HB2 -0.25 -0.09 0.06 -0.04 3.95 3.63 3hwkH1 SER 356 HB3 -0.03 0.08 0.08 -0.04 3.93 4.01 3hwkH1 ARG 357 H -0.19 0.67 0.10 -0.55 8.46 8.49 3hwkH1 ARG 357 HA -0.22 0.23 0.39 -0.75 4.34 3.99 3hwkH1 ARG 357 HB2 -0.10 0.11 0.06 -0.04 1.90 1.93 3hwkH1 ARG 357 HB3 -1.10 0.00 0.02 -0.04 1.80 0.69 3hwkH1 ARG 357 HG2 -0.64 -0.10 -0.06 -0.04 1.67 0.83 3hwkH1 ARG 357 HG3 -2.14 -0.10 -0.08 -0.04 1.67 -0.70 3hwkH1 ARG 357 HD2 -0.02 -0.16 -0.02 -0.04 3.22 2.98 3hwkH1 ARG 357 HD3 -0.19 0.18 0.16 -0.04 3.22 3.33 3hwkH1 ILE 358 H -0.34 0.71 -0.26 -0.55 8.25 7.81 3hwkH1 ILE 358 HA 0.19 -0.08 0.42 -0.75 4.18 3.95 3hwkH1 ILE 358 HB 0.10 0.08 -0.00 -0.04 1.89 2.02 3hwkH1 ILE 358 HG12 0.21 0.02 -0.19 -0.04 1.49 1.48 3hwkH1 ILE 358 HG13 0.28 -0.03 -0.13 -0.04 1.21 1.29 3hwkH1 ILE 358 HG23 0.14 0.03 -0.19 -0.04 0.93 0.87 3hwkH1 ILE 358 HD13 0.35 -0.03 -0.00 -0.04 0.88 1.15 3hwkH1 THR 359 H -0.02 0.49 -0.34 -0.55 8.28 7.86 3hwkH1 THR 359 HA 0.09 0.02 0.51 -0.75 4.39 4.25 3hwkH1 THR 359 HB -0.64 -0.05 0.02 -0.04 4.32 3.62 3hwkH1 THR 359 HG23 -0.53 -0.00 0.05 -0.04 1.22 0.69 3hwkH1 GLY 360 H -0.11 0.49 0.14 -0.55 8.43 8.40 3hwkH1 GLY 360 HA2 0.02 -0.07 0.44 -0.51 4.01 3.89 3hwkH1 GLY 360 HA3 0.05 0.08 0.52 -0.51 4.01 4.14 3hwkH1 TRP 361 H 0.09 0.89 -0.04 -0.55 7.97 8.36 3hwkH1 TRP 361 HA 0.11 -0.07 0.27 -0.75 4.62 4.17 3hwkH1 TRP 361 HB2 0.08 0.11 0.12 -0.04 3.23 3.49 3hwkH1 TRP 361 HB3 0.04 -0.05 -0.06 -0.04 3.23 3.13 3hwkH1 TRP 361 HD1 0.03 -0.06 -0.09 -0.04 7.22 7.06 3hwkH1 TRP 361 HE1 -0.03 -0.21 -0.15 -0.04 10.20 9.77 3hwkH1 TRP 361 HE3 0.02 0.04 -0.07 -0.04 7.59 7.53 3hwkH1 TRP 361 HZ2 -0.27 -0.07 -0.13 -0.04 7.44 6.93 3hwkH1 TRP 361 HZ3 -0.03 0.03 -0.10 -0.04 7.13 6.99 3hwkH1 TRP 361 HH2 -0.15 -0.01 -0.18 -0.04 7.19 6.81 3hwkH1 THR 362 H 0.39 0.59 -0.22 -0.55 8.28 8.48 3hwkH1 THR 362 HA 0.18 -0.03 0.35 -0.75 4.39 4.14 3hwkH1 THR 362 HB 0.07 -0.07 0.04 -0.04 4.32 4.32 3hwkH1 THR 362 HG23 0.17 0.00 0.04 -0.04 1.22 1.39 3hwkH1 ALA 363 H 0.37 0.57 -0.04 -0.55 8.40 8.76 3hwkH1 ALA 363 HA 0.25 0.05 0.52 -0.75 4.34 4.41 3hwkH1 ALA 363 HB3 0.10 0.03 0.06 -0.04 1.41 1.55 3hwkH1 HIS 364 H 0.25 0.56 -0.15 -0.55 8.41 8.52 3hwkH1 HIS 364 HA 0.10 -0.02 0.45 -0.75 4.63 4.40 3hwkH1 HIS 364 HB2 0.13 0.20 0.14 -0.04 3.26 3.69 3hwkH1 HIS 364 HB3 0.01 -0.01 -0.06 -0.04 3.20 3.09 3hwkH1 HIS 364 HD2 0.17 0.21 -0.02 -0.04 6.97 7.28 3hwkH1 HIS 364 HE1 0.52 -0.08 -0.06 -0.04 7.75 8.08 3hwkH1 ILE 365 H 0.17 0.50 -0.08 -0.55 8.25 8.29 3hwkH1 ILE 365 HA 0.03 0.02 0.36 -0.75 4.18 3.83 3hwkH1 ILE 365 HB 0.06 0.09 0.17 -0.04 1.89 2.16 3hwkH1 ILE 365 HG12 -0.04 0.02 -0.07 -0.04 1.49 1.36 3hwkH1 ILE 365 HG13 0.04 0.04 -0.04 -0.04 1.21 1.21 3hwkH1 ILE 365 HG23 -0.02 -0.02 -0.11 -0.04 0.93 0.74 3hwkH1 ILE 365 HD13 0.01 -0.03 -0.17 -0.04 0.88 0.64 3hwkH1 MET 366 H 0.06 0.61 -0.16 -0.55 8.47 8.43 3hwkH1 MET 366 HA -0.01 -0.01 0.43 -0.75 4.52 4.18 3hwkH1 MET 366 HB2 0.03 0.15 0.18 -0.04 2.15 2.47 3hwkH1 MET 366 HB3 -0.01 -0.03 0.05 -0.04 2.03 1.99 3hwkH1 MET 366 HG2 -0.06 -0.08 0.01 -0.04 2.63 2.45 3hwkH1 MET 366 HG3 -0.04 0.19 0.05 -0.04 2.56 2.73 3hwkH1 MET 366 HE3 -0.40 0.00 -0.18 -0.04 2.10 1.48 3hwkH1 GLU 367 H 0.05 0.55 -0.10 -0.55 8.60 8.55 3hwkH1 GLU 367 HA 0.03 0.00 0.48 -0.75 4.29 4.05 3hwkH1 GLU 367 HB2 0.02 0.08 0.18 -0.04 2.09 2.32 3hwkH1 GLU 367 HB3 0.08 0.06 0.19 -0.04 1.99 2.28 3hwkH1 GLU 367 HG2 0.09 0.09 -0.01 -0.04 2.34 2.47 3hwkH1 GLU 367 HG3 0.04 0.00 0.09 -0.04 2.34 2.43 3hwkH1 GLN 368 H 0.06 0.72 -0.07 -0.55 8.47 8.63 3hwkH1 GLN 368 HA 0.04 0.07 0.37 -0.75 4.36 4.10 3hwkH1 GLN 368 HB2 0.02 -0.05 0.10 -0.04 2.15 2.18 3hwkH1 GLN 368 HB3 0.00 0.08 0.12 -0.04 2.02 2.19 3hwkH1 GLN 368 HG2 -0.04 0.02 0.01 -0.04 2.40 2.34 3hwkH1 GLN 368 HG3 -0.01 0.01 -0.25 -0.04 2.39 2.09 3hwkH1 GLN 368 HE21 0.03 0.01 0.08 -0.04 6.97 7.05 3hwkH1 GLN 368 HE22 0.00 -0.08 0.06 -0.04 7.69 7.64 3hwkH1 ALA 369 H 0.01 0.56 -0.14 -0.55 8.40 8.28 3hwkH1 ALA 369 HA -0.00 0.04 0.32 -0.75 4.34 3.94 3hwkH1 ALA 369 HB3 -0.01 -0.02 0.09 -0.04 1.41 1.43 3hwkH1 THR 370 H 0.01 0.45 -0.22 -0.55 8.28 7.98 3hwkH1 THR 370 HA 0.00 0.04 0.54 -0.75 4.39 4.22 3hwkH1 THR 370 HB 0.01 -0.08 0.10 -0.04 4.32 4.31 3hwkH1 THR 370 HG23 -0.00 -0.03 0.02 -0.04 1.22 1.17 3hwkH1 ALA 371 H 0.02 0.42 -0.32 -0.55 8.40 7.98 3hwkH1 ALA 371 HA 0.02 0.05 0.67 -0.75 4.34 4.33 3hwkH1 ALA 371 HB3 0.04 -0.02 0.09 -0.04 1.41 1.48 3hwkH1 ASN 372 H 0.01 0.10 0.02 -0.55 8.53 8.13 3hwkH1 ASN 372 HA 0.02 0.22 0.73 -0.75 4.76 4.98 3hwkH1 ASN 372 HB2 0.00 0.19 -0.00 -0.04 2.88 3.03 3hwkH1 ASN 372 HB3 0.00 -0.10 0.02 -0.04 2.79 2.67 3hwkH1 ASN 372 HD21 -0.01 0.28 -0.06 -0.04 7.03 7.19 3hwkH1 ASN 372 HD22 -0.00 -0.10 -0.20 -0.04 7.74 7.39 3hwkH1 ALA 373 H 0.01 0.29 0.20 -0.55 8.40 8.36 3hwkH1 ALA 373 HA 0.01 0.03 0.42 -0.75 4.34 4.05 3hwkH1 ALA 373 HB3 0.02 0.02 0.05 -0.04 1.41 1.46 3hwkH1 LEU 374 H -0.00 0.07 0.13 -0.55 8.37 8.02 3hwkH1 LEU 374 HA -0.02 0.15 0.37 -0.75 4.35 4.10 3hwkH1 LEU 374 HB2 -0.01 0.04 0.14 -0.04 1.64 1.76 3hwkH1 LEU 374 HB3 -0.00 -0.06 0.10 -0.04 1.64 1.64 3hwkH1 LEU 374 HG -0.02 0.03 -0.39 -0.04 1.64 1.23 3hwkH1 LEU 374 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.80 3hwkH1 LEU 374 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.77 3hwkH1 ILE 375 H -0.04 0.14 0.19 -0.55 8.25 7.99 3hwkH1 ILE 375 HA 0.02 0.11 0.80 -0.75 4.18 4.36 3hwkH1 ILE 375 HB -0.10 -0.03 0.24 -0.04 1.89 1.96 3hwkH1 ILE 375 HG12 0.06 0.01 -0.00 -0.04 1.49 1.52 3hwkH1 ILE 375 HG13 -0.01 0.20 0.05 -0.04 1.21 1.40 3hwkH1 ILE 375 HG23 0.00 -0.02 -0.08 -0.04 0.93 0.79 3hwkH1 ILE 375 HD13 -0.09 -0.01 -0.13 -0.04 0.88 0.61 3hwkH1 ARG 376 H 0.02 0.24 -0.02 -0.55 8.46 8.14 3hwkH1 ARG 376 HA 0.00 0.15 0.78 -0.75 4.34 4.52 3hwkH1 ARG 376 HB2 -0.00 -0.05 -0.36 -0.04 1.90 1.45 3hwkH1 ARG 376 HB3 0.01 -0.01 0.10 -0.04 1.80 1.86 3hwkH1 ARG 376 HG2 -0.01 0.01 -0.01 -0.04 1.67 1.62 3hwkH1 ARG 376 HG3 -0.00 -0.06 -0.04 -0.04 1.67 1.52 3hwkH1 ARG 376 HD2 0.00 -0.05 -0.10 -0.04 3.22 3.03 3hwkH1 ARG 376 HD3 0.00 0.21 -0.18 -0.04 3.22 3.22 3hwkH1 PRO 377 HA 0.03 0.10 0.49 -0.51 4.44 4.55 3hwkH1 PRO 377 HB2 0.04 0.09 0.08 -0.04 2.28 2.45 3hwkH1 PRO 377 HB3 0.06 0.00 0.07 -0.04 2.02 2.10 3hwkH1 PRO 377 HG2 0.03 0.03 -0.11 -0.04 2.03 1.94 3hwkH1 PRO 377 HG3 0.05 0.01 -0.01 -0.04 2.03 2.03 3hwkH1 PRO 377 HD2 0.01 0.10 0.13 -0.04 3.68 3.88 3hwkH1 PRO 377 HD3 0.03 0.14 -0.06 -0.04 3.65 3.71 3hwkH1 LEU 378 H 0.03 0.12 0.17 -0.55 8.37 8.14 3hwkH1 LEU 378 HA 0.02 0.22 0.93 -0.75 4.35 4.76 3hwkH1 LEU 378 HB2 0.02 -0.02 0.01 -0.04 1.64 1.61 3hwkH1 LEU 378 HB3 0.02 0.03 0.10 -0.04 1.64 1.75 3hwkH1 LEU 378 HG 0.02 -0.02 -0.10 -0.04 1.64 1.49 3hwkH1 LEU 378 HD13 0.01 0.00 -0.01 -0.04 0.93 0.89 3hwkH1 LEU 378 HD23 0.01 0.03 -0.05 -0.04 0.89 0.84 3hwkH1 SER 379 H 0.03 0.20 0.16 -0.55 8.46 8.29 3hwkH1 SER 379 HA 0.03 0.15 0.90 -0.75 4.49 4.82 3hwkH1 SER 379 HB2 0.06 0.10 0.02 -0.04 3.95 4.08 3hwkH1 SER 379 HB3 0.04 0.02 -0.07 -0.04 3.93 3.88 3hwkH1 ALA 380 H 0.04 0.14 0.13 -0.55 8.40 8.16 3hwkH1 ALA 380 HA 0.06 0.16 0.80 -0.75 4.34 4.60 3hwkH1 ALA 380 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 3hwkH1 TYR 381 H 0.15 0.20 0.11 -0.55 8.29 8.20 3hwkH1 TYR 381 HA 0.00 0.14 0.84 -0.75 4.56 4.79 3hwkH1 TYR 381 HB2 0.01 0.04 -0.06 -0.04 3.06 3.00 3hwkH1 TYR 381 HB3 0.00 0.03 0.11 -0.04 2.98 3.08 3hwkH1 TYR 381 HD2 0.01 0.03 -0.07 -0.04 7.15 7.08 3hwkH1 TYR 381 HE2 0.03 0.12 -0.17 -0.04 6.85 6.79 3hwkH1 CYS 382 H -0.40 0.15 0.12 -0.55 8.50 7.82 3hwkH1 CYS 382 HA -0.21 0.22 0.82 -0.75 4.58 4.66 3hwkH1 CYS 382 HB2 -0.12 0.02 0.14 -0.04 2.97 2.97 3hwkH1 CYS 382 HB3 -0.10 0.00 -0.13 -0.04 2.97 2.70 3hwkH1 GLY 383 H -1.69 0.06 -0.12 -0.55 8.43 6.14 3hwkH1 GLY 383 HA2 -0.32 0.19 0.69 -0.51 4.01 4.05 3hwkH1 GLY 383 HA3 -0.50 -0.00 0.28 -0.51 4.01 3.28 3hwkH1 HIS 384 H 0.06 0.07 0.10 -0.55 8.41 8.10 3hwkH1 HIS 384 HA 0.02 -0.00 0.39 -0.75 4.63 4.29 3hwkH1 HIS 384 HB2 0.09 -0.05 0.07 -0.04 3.26 3.33 3hwkH1 HIS 384 HB3 0.05 0.17 -0.01 -0.04 3.20 3.37 3hwkH1 HIS 384 HD2 0.02 -0.03 0.07 -0.04 6.97 6.98 3hwkH1 HIS 384 HE1 0.00 0.00 0.01 -0.04 7.75 7.72 3hwkH1 GLU 385 H 0.11 0.05 0.16 -0.55 8.60 8.37 3hwkH1 GLU 385 HA 0.17 0.07 0.57 -0.75 4.29 4.34 3hwkH1 GLN 386 H 0.06 0.05 0.12 -0.55 8.47 8.15 3hwkH1 GLN 386 HA 0.04 0.05 0.32 -0.75 4.36 4.01 3hwkH1 GLN 386 HB2 0.00 -0.00 0.12 -0.04 2.15 2.23 3hwkH1 GLN 386 HB3 0.02 -0.03 0.09 -0.04 2.02 2.05 3hwkH1 GLN 386 HG2 0.01 0.01 -0.24 -0.04 2.40 2.14 3hwkH1 GLN 386 HG3 0.00 0.02 0.06 -0.04 2.39 2.43 3hwkH1 GLN 386 HE21 -0.01 -0.02 -0.03 -0.04 6.97 6.88 3hwkH1 GLN 386 HE22 -0.00 0.02 -0.07 -0.04 7.69 7.59 3hwkH1 ARG 387 H 0.02 0.20 0.21 -0.55 8.46 8.33 3hwkH1 ARG 387 HA 0.02 0.11 0.75 -0.75 4.34 4.46 3hwkH1 ARG 387 HB2 0.00 0.04 0.06 -0.04 1.90 1.96 3hwkH1 ARG 387 HB3 0.03 0.07 -0.09 -0.04 1.80 1.77 3hwkH1 ARG 387 HG2 0.01 0.07 -0.04 -0.04 1.67 1.67 3hwkH1 ARG 387 HG3 -0.02 -0.03 -0.12 -0.04 1.67 1.46 3hwkH1 ARG 387 HD2 -0.06 0.03 -0.05 -0.04 3.22 3.10 3hwkH1 ARG 387 HD3 -0.02 -0.01 -0.04 -0.04 3.22 3.11 3hwkH1 VAL 388 H 0.00 0.13 0.13 -0.55 8.24 7.95 3hwkH1 VAL 388 HA -0.00 0.11 0.78 -0.75 4.13 4.26 3hwkH1 VAL 388 HB -0.00 0.06 0.08 -0.04 2.12 2.22 3hwkH1 VAL 388 HG13 0.00 -0.01 -0.03 -0.04 0.97 0.89 3hwkH1 VAL 388 HG23 0.00 0.01 -0.09 -0.04 0.95 0.82 3hwkH1 LEU 389 H -0.01 0.07 0.15 -0.55 8.37 8.04 3hwkH1 LEU 389 HA -0.01 0.08 0.57 -0.75 4.35 4.23 3hwkH1 LEU 389 HB2 -0.01 -0.08 0.16 -0.04 1.64 1.67 3hwkH1 LEU 389 HB3 -0.01 0.21 0.00 -0.04 1.64 1.80 3hwkH1 LEU 389 HG -0.01 -0.04 0.08 -0.04 1.64 1.63 3hwkH1 LEU 389 HD13 -0.01 -0.00 0.03 -0.04 0.93 0.90 3hwkH1 LEU 389 HD23 -0.01 0.00 0.03 -0.04 0.89 0.87 3hwkH1 PRO 390 HA -0.00 0.06 0.52 -0.51 4.44 4.50 3hwkH1 PRO 390 HB2 -0.01 0.10 -0.03 -0.04 2.28 2.31 3hwkH1 PRO 390 HB3 -0.01 -0.02 0.12 -0.04 2.02 2.07 3hwkH1 PRO 390 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 3hwkH1 PRO 390 HG3 -0.01 0.05 0.08 -0.04 2.03 2.10 3hwkH1 PRO 390 HD2 -0.01 0.07 0.19 -0.04 3.68 3.89 3hwkH1 PRO 390 HD3 -0.02 0.20 0.25 -0.04 3.65 4.04 3hwkH1 GLY 391 H -0.00 0.07 0.04 -0.55 8.43 7.98 3hwkH1 GLY 391 HA2 -0.00 0.14 0.24 -0.51 4.01 3.88 3hwkH1 GLY 391 HA3 -0.00 0.03 0.18 -0.51 4.01 3.70