============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 -27.809 22.294 -63.660 -99.200 -91.000 TRP 5 1.040 -29.444 25.402 -67.602 -99.200 -91.000 TRP6 5 1.020 -30.669 23.370 -67.632 -99.200 -91.000 TYR 10 0.840 -22.669 16.643 -64.240 -99.200 -91.000 HIS 21 0.900 -19.367 11.898 -44.286 -99.200 -91.000 TYR 41 0.840 -17.742 28.739 -15.667 -99.200 -91.000 TRP 48 1.040 -12.955 30.093 -6.171 -99.200 -91.000 TRP6 48 1.020 -15.177 30.597 -5.544 -99.200 -91.000 TRP 52 1.040 -11.123 30.129 -1.991 -99.200 -91.000 TRP6 52 1.020 -10.100 31.670 -0.533 -99.200 -91.000 TYR 62 0.840 -17.103 34.844 14.901 -99.200 -91.000 TRP 69 1.040 -16.491 33.735 2.194 -99.200 -91.000 TRP6 69 1.020 -14.546 34.029 3.490 -99.200 -91.000 HIS 83 0.900 -21.625 26.519 -17.182 -99.200 -91.000 TRP 101 1.040 -30.043 13.062 -40.662 -99.200 -91.000 TRP6 101 1.020 -28.626 13.850 -42.380 -99.200 -91.000 TYR 106 0.840 -24.512 12.317 -46.194 -99.200 -91.000 HIS 107 0.900 -27.034 4.493 -46.861 -99.200 -91.000 PHE 114 1.000 -19.688 9.958 -48.424 -99.200 -91.000 PHE 124 1.000 -27.049 16.568 -61.854 -99.200 -91.000 TRP 131 1.040 -26.513 20.135 -74.063 -99.200 -91.000 TRP6 131 1.020 -27.996 21.400 -75.374 -99.200 -91.000 TYR 145 0.840 -20.268 28.945 -91.775 -99.200 -91.000 HIS 146 0.900 -17.382 30.738 -87.550 -99.200 -91.000 TYR 170 0.840 -22.861 26.794 -87.436 -99.200 -91.000 TYR 184 0.840 -28.813 19.636 -71.321 -99.200 -91.000 PHE 192 1.000 -30.823 21.782 -58.735 -99.200 -91.000 PHE 198 1.000 -28.929 12.787 -49.372 -99.200 -91.000 PHE 205 1.000 -30.035 15.725 -38.204 -99.200 -91.000 HIS 216 0.900 -29.757 19.396 -25.216 -99.200 -91.000 TYR 225 0.840 -27.357 30.709 -14.082 -99.200 -91.000 HIS 227 0.900 -34.220 27.028 -5.842 -99.200 -91.000 TYR 229 0.840 -26.292 32.714 -9.213 -99.200 -91.000 TRP 247 1.040 -21.452 30.686 18.760 -99.200 -91.000 TRP6 247 1.020 -19.205 30.733 18.025 -99.200 -91.000 PHE 248 1.000 -15.405 36.232 20.180 -99.200 -91.000 TRP 260 1.040 -17.348 34.451 39.118 -99.200 -91.000 TRP6 260 1.020 -16.004 36.196 38.246 -99.200 -91.000 PHE 263 1.000 -12.098 28.259 53.894 -99.200 -91.000 TRP 266 1.040 -8.102 18.027 52.249 -99.200 -91.000 TRP6 266 1.020 -8.110 17.165 50.047 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hahB1 THR 16 HA 0.07 -0.06 0.17 -0.75 4.39 3.81 3hahB1 THR 16 HB 0.04 0.02 0.15 -0.04 4.32 4.48 3hahB1 THR 16 HG23 0.05 0.00 0.05 -0.04 1.22 1.28 3hahB1 ASP 17 H 0.05 0.21 0.09 -0.55 8.40 8.20 3hahB1 ASP 17 HA 0.02 0.22 0.75 -0.75 4.63 4.86 3hahB1 ASP 17 HB2 0.03 -0.00 0.05 -0.04 2.71 2.75 3hahB1 ASP 17 HB3 0.02 -0.04 0.15 -0.04 2.70 2.79 3hahB1 SER 18 H 0.07 0.12 -0.02 -0.55 8.46 8.09 3hahB1 SER 18 HA 0.08 0.12 0.59 -0.75 4.49 4.53 3hahB1 SER 18 HB2 0.13 0.09 0.10 -0.04 3.95 4.24 3hahB1 SER 18 HB3 0.18 -0.01 0.11 -0.04 3.93 4.16 3hahB1 PHE 19 H 0.07 0.20 0.17 -0.55 8.34 8.23 3hahB1 PHE 19 HA -0.22 0.10 0.26 -0.75 4.62 4.01 3hahB1 PHE 19 HB2 -0.34 0.04 0.12 -0.04 3.15 2.92 3hahB1 PHE 19 HB3 -0.60 -0.04 0.08 -0.04 3.06 2.46 3hahB1 PHE 19 HD2 -1.41 0.01 -0.13 -0.04 7.28 5.70 3hahB1 PHE 19 HE2 -1.09 -0.00 -0.04 -0.04 7.38 6.20 3hahB1 PHE 19 HZ -0.27 0.03 -0.05 -0.04 7.32 6.99 3hahB1 TRP 20 H 0.15 -0.06 -0.58 -0.55 7.97 6.94 3hahB1 TRP 20 HA -0.14 0.10 0.37 -0.75 4.62 4.20 3hahB1 TRP 20 HB2 0.05 -0.03 -0.03 -0.04 3.23 3.18 3hahB1 TRP 20 HB3 0.01 0.04 -0.00 -0.04 3.23 3.24 3hahB1 TRP 20 HD1 0.04 -0.02 -0.02 -0.04 7.22 7.18 3hahB1 TRP 20 HE1 -0.06 0.02 -0.02 -0.04 10.20 10.09 3hahB1 TRP 20 HE3 -0.56 0.03 -0.03 -0.04 7.59 6.98 3hahB1 TRP 20 HZ2 -0.13 0.01 -0.02 -0.04 7.44 7.26 3hahB1 TRP 20 HZ3 -0.78 0.02 -0.09 -0.04 7.13 6.24 3hahB1 TRP 20 HH2 -0.15 0.11 0.07 -0.04 7.19 7.18 3hahB1 GLU 21 H 0.15 0.36 -0.22 -0.55 8.60 8.34 3hahB1 GLU 21 HA 0.24 0.03 0.51 -0.75 4.29 4.33 3hahB1 GLU 21 HB2 0.06 0.09 -0.10 -0.04 2.09 2.09 3hahB1 GLU 21 HB3 0.09 0.03 -0.01 -0.04 1.99 2.06 3hahB1 GLU 21 HG2 0.16 -0.13 0.04 -0.04 2.34 2.37 3hahB1 GLU 21 HG3 0.09 -0.16 -0.03 -0.04 2.34 2.20 3hahB1 VAL 22 H 0.17 0.11 0.13 -0.55 8.24 8.10 3hahB1 VAL 22 HA 0.18 0.03 0.26 -0.75 4.13 3.84 3hahB1 VAL 22 HB 0.09 0.00 0.17 -0.04 2.12 2.34 3hahB1 VAL 22 HG13 0.09 -0.00 -0.09 -0.04 0.97 0.93 3hahB1 VAL 22 HG23 0.21 0.02 0.04 -0.04 0.95 1.18 3hahB1 GLY 23 H 0.13 0.13 0.17 -0.55 8.43 8.31 3hahB1 GLY 23 HA2 -0.21 -0.02 0.36 -0.51 4.01 3.63 3hahB1 GLY 23 HA3 -0.10 0.22 0.64 -0.51 4.01 4.26 3hahB1 ASN 24 H -0.15 0.63 -0.24 -0.55 8.53 8.23 3hahB1 ASN 24 HA -0.21 0.08 0.44 -0.75 4.76 4.32 3hahB1 ASN 24 HB2 -0.13 0.26 -0.13 -0.04 2.88 2.84 3hahB1 ASN 24 HB3 -0.09 -0.09 -0.10 -0.04 2.79 2.48 3hahB1 ASN 24 HD21 0.00 0.25 -0.24 -0.04 7.03 7.00 3hahB1 ASN 24 HD22 -0.00 -0.08 -0.68 -0.04 7.74 6.94 3hahB1 TYR 25 H -0.47 0.12 -0.37 -0.55 8.29 7.02 3hahB1 TYR 25 HA -0.46 0.10 0.59 -0.75 4.56 4.03 3hahB1 TYR 25 HB2 -1.92 -0.01 0.08 -0.04 3.06 1.16 3hahB1 TYR 25 HB3 -1.07 0.11 0.07 -0.04 2.98 2.05 3hahB1 TYR 25 HD2 -0.18 -0.02 -0.18 -0.04 7.15 6.73 3hahB1 TYR 25 HE2 0.06 -0.01 -0.01 -0.04 6.85 6.85 3hahB1 LYS 26 H -0.60 0.36 -0.38 -0.55 8.42 7.25 3hahB1 LYS 26 HA -0.14 0.02 0.26 -0.75 4.32 3.71 3hahB1 LYS 26 HB2 -0.18 -0.03 0.10 -0.04 1.87 1.73 3hahB1 LYS 26 HB3 -0.41 0.37 0.21 -0.04 1.79 1.92 3hahB1 LYS 26 HG2 -0.08 0.02 -0.51 -0.04 1.46 0.85 3hahB1 LYS 26 HG3 -0.08 -0.02 -0.09 -0.04 1.46 1.24 3hahB1 LYS 26 HD2 -0.19 0.07 0.06 -0.04 1.69 1.59 3hahB1 LYS 26 HD3 -0.08 -0.01 -0.04 -0.04 1.68 1.51 3hahB1 LYS 26 HE2 -0.08 -0.05 -0.01 -0.04 2.99 2.81 3hahB1 LYS 26 HE3 -0.14 0.09 0.01 -0.04 2.99 2.90 3hahB1 ARG 27 H -0.08 0.33 -0.29 -0.55 8.46 7.87 3hahB1 ARG 27 HA 0.02 0.04 0.47 -0.75 4.34 4.11 3hahB1 ARG 27 HB2 0.03 0.09 0.10 -0.04 1.90 2.07 3hahB1 ARG 27 HB3 0.04 0.01 -0.02 -0.04 1.80 1.79 3hahB1 ARG 27 HG2 0.00 -0.02 0.04 -0.04 1.67 1.65 3hahB1 ARG 27 HG3 -0.03 0.00 0.04 -0.04 1.67 1.65 3hahB1 ARG 27 HD2 0.02 -0.02 0.02 -0.04 3.22 3.20 3hahB1 ARG 27 HD3 0.01 0.00 0.02 -0.04 3.22 3.20 3hahB1 THR 28 H 0.09 0.25 -0.18 -0.55 8.28 7.90 3hahB1 THR 28 HA 0.15 0.04 0.41 -0.75 4.39 4.23 3hahB1 THR 28 HB 0.27 0.17 0.11 -0.04 4.32 4.84 3hahB1 THR 28 HG23 0.27 -0.01 0.01 -0.04 1.22 1.45 3hahB1 VAL 29 H 0.13 0.22 -0.55 -0.55 8.24 7.49 3hahB1 VAL 29 HA 0.20 0.07 0.58 -0.75 4.13 4.22 3hahB1 VAL 29 HB 0.14 0.11 0.20 -0.04 2.12 2.52 3hahB1 VAL 29 HG13 0.15 -0.02 -0.04 -0.04 0.97 1.01 3hahB1 VAL 29 HG23 0.45 0.01 -0.12 -0.04 0.95 1.25 3hahB1 LYS 30 H 0.07 0.73 0.17 -0.55 8.42 8.84 3hahB1 LYS 30 HA 0.08 -0.05 0.47 -0.75 4.32 4.06 3hahB1 LYS 30 HB2 0.05 0.11 0.21 -0.04 1.87 2.20 3hahB1 LYS 30 HB3 0.05 -0.04 0.00 -0.04 1.79 1.77 3hahB1 LYS 30 HG2 0.03 0.01 0.02 -0.04 1.46 1.48 3hahB1 LYS 30 HG3 0.05 -0.04 0.06 -0.04 1.46 1.49 3hahB1 LYS 30 HD2 0.06 -0.13 0.10 -0.04 1.69 1.68 3hahB1 LYS 30 HD3 0.01 0.05 -0.03 -0.04 1.68 1.67 3hahB1 LYS 30 HE2 0.05 -0.05 0.00 -0.04 2.99 2.95 3hahB1 LYS 30 HE3 0.02 -0.00 0.01 -0.04 2.99 2.98 3hahB1 ARG 31 H 0.08 0.61 -0.23 -0.55 8.46 8.38 3hahB1 ARG 31 HA 0.07 -0.04 0.36 -0.75 4.34 3.98 3hahB1 ARG 31 HB2 0.09 0.11 0.12 -0.04 1.90 2.18 3hahB1 ARG 31 HB3 0.10 0.20 0.00 -0.04 1.80 2.05 3hahB1 ARG 31 HG2 0.06 -0.07 0.08 -0.04 1.67 1.71 3hahB1 ARG 31 HG3 0.06 -0.01 0.02 -0.04 1.67 1.69 3hahB1 ARG 31 HD2 0.07 0.09 -0.06 -0.04 3.22 3.28 3hahB1 ARG 31 HD3 0.08 -0.05 -0.05 -0.04 3.22 3.16 3hahB1 ILE 32 H 0.11 0.54 -0.48 -0.55 8.25 7.87 3hahB1 ILE 32 HA 0.20 0.05 0.40 -0.75 4.18 4.07 3hahB1 ILE 32 HB 0.09 -0.03 0.19 -0.04 1.89 2.10 3hahB1 ILE 32 HG12 0.11 0.23 0.23 -0.04 1.49 2.01 3hahB1 ILE 32 HG13 0.04 -0.07 0.09 -0.04 1.21 1.23 3hahB1 ILE 32 HG23 0.03 -0.03 -0.18 -0.04 0.93 0.70 3hahB1 ILE 32 HD13 0.05 -0.02 0.02 -0.04 0.88 0.89 3hahB1 ASP 33 H 0.10 0.25 0.09 -0.55 8.40 8.29 3hahB1 ASP 33 HA -0.05 -0.04 0.45 -0.75 4.63 4.22 3hahB1 ASP 33 HB2 0.09 0.16 0.21 -0.04 2.71 3.13 3hahB1 ASP 33 HB3 0.12 -0.02 0.03 -0.04 2.70 2.79 3hahB1 ASP 34 H 0.08 0.68 -0.15 -0.55 8.40 8.46 3hahB1 ASP 34 HA 0.05 -0.05 0.36 -0.75 4.63 4.24 3hahB1 ASP 34 HB2 0.07 0.25 0.12 -0.04 2.71 3.11 3hahB1 ASP 34 HB3 0.04 -0.04 -0.01 -0.04 2.70 2.65 3hahB1 GLY 35 H 0.12 0.55 -0.18 -0.55 8.43 8.38 3hahB1 GLY 35 HA2 0.08 -0.04 0.35 -0.51 4.01 3.88 3hahB1 GLY 35 HA3 0.24 0.10 0.33 -0.51 4.01 4.18 3hahB1 HIS 36 H -0.09 0.37 -0.12 -0.55 8.41 8.02 3hahB1 HIS 36 HA -0.65 0.05 0.51 -0.75 4.63 3.79 3hahB1 HIS 36 HB2 -1.19 -0.03 0.11 -0.04 3.26 2.11 3hahB1 HIS 36 HB3 -0.41 0.16 0.19 -0.04 3.20 3.09 3hahB1 HIS 36 HD2 0.08 -0.01 -0.16 -0.04 6.97 6.83 3hahB1 HIS 36 HE1 0.11 0.05 -0.05 -0.04 7.75 7.82 3hahB1 ARG 37 H 0.01 0.47 -0.02 -0.55 8.46 8.37 3hahB1 ARG 37 HA -0.04 0.00 0.49 -0.75 4.34 4.04 3hahB1 ARG 37 HB2 0.07 -0.02 0.10 -0.04 1.90 2.01 3hahB1 ARG 37 HB3 0.02 0.14 0.22 -0.04 1.80 2.14 3hahB1 ARG 37 HG2 0.01 -0.06 0.02 -0.04 1.67 1.59 3hahB1 ARG 37 HG3 0.04 -0.01 0.00 -0.04 1.67 1.66 3hahB1 ARG 37 HD2 -0.00 0.07 -0.22 -0.04 3.22 3.03 3hahB1 ARG 37 HD3 0.00 -0.05 -0.15 -0.04 3.22 2.98 3hahB1 LEU 38 H -0.03 0.83 0.04 -0.55 8.37 8.67 3hahB1 LEU 38 HA -0.03 -0.05 0.40 -0.75 4.35 3.91 3hahB1 LEU 38 HB2 -0.02 0.13 0.07 -0.04 1.64 1.77 3hahB1 LEU 38 HB3 -0.04 -0.05 0.04 -0.04 1.64 1.56 3hahB1 LEU 38 HG 0.00 0.16 -0.02 -0.04 1.64 1.74 3hahB1 LEU 38 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.82 3hahB1 LEU 38 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.79 3hahB1 CYS 39 H -0.11 0.41 -0.52 -0.55 8.50 7.73 3hahB1 CYS 39 HA -0.04 -0.00 0.49 -0.75 4.58 4.28 3hahB1 CYS 39 HB2 -0.21 0.25 0.26 -0.04 2.97 3.23 3hahB1 CYS 39 HB3 -0.03 -0.04 0.01 -0.04 2.97 2.87 3hahB1 ASN 40 H -0.21 0.51 0.06 -0.55 8.53 8.35 3hahB1 ASN 40 HA -0.07 -0.01 0.51 -0.75 4.76 4.42 3hahB1 ASN 40 HB2 -0.10 0.29 0.36 -0.04 2.88 3.39 3hahB1 ASN 40 HB3 -0.04 -0.08 0.02 -0.04 2.79 2.65 3hahB1 ASN 40 HD21 0.05 -0.02 0.01 -0.04 7.03 7.02 3hahB1 ASN 40 HD22 0.01 -0.03 0.03 -0.04 7.74 7.71 3hahB1 ASP 41 H -0.05 0.73 -0.04 -0.55 8.40 8.49 3hahB1 ASP 41 HA -0.02 -0.03 0.30 -0.75 4.63 4.12 3hahB1 ASP 41 HB2 -0.03 0.05 0.16 -0.04 2.71 2.85 3hahB1 ASP 41 HB3 -0.03 -0.02 -0.02 -0.04 2.70 2.59 3hahB1 LEU 42 H -0.05 0.69 -0.11 -0.55 8.37 8.35 3hahB1 LEU 42 HA -0.04 -0.04 0.45 -0.75 4.35 3.96 3hahB1 LEU 42 HB2 -0.06 0.20 0.22 -0.04 1.64 1.95 3hahB1 LEU 42 HB3 -0.05 0.05 0.05 -0.04 1.64 1.65 3hahB1 LEU 42 HG -0.09 -0.02 0.04 -0.04 1.64 1.53 3hahB1 LEU 42 HD13 -0.14 -0.00 -0.02 -0.04 0.93 0.72 3hahB1 LEU 42 HD23 -0.07 -0.02 0.04 -0.04 0.89 0.80 3hahB1 MET 43 H -0.03 0.61 -0.14 -0.55 8.47 8.37 3hahB1 MET 43 HA -0.00 -0.03 0.41 -0.75 4.52 4.14 3hahB1 MET 43 HB2 -0.01 0.15 0.25 -0.04 2.15 2.50 3hahB1 MET 43 HB3 0.01 -0.07 0.06 -0.04 2.03 1.98 3hahB1 MET 43 HG2 0.02 -0.05 0.11 -0.04 2.63 2.67 3hahB1 MET 43 HG3 0.01 0.17 0.03 -0.04 2.56 2.73 3hahB1 MET 43 HE3 -0.01 -0.01 0.00 -0.04 2.10 2.04 3hahB1 ASN 44 H -0.01 0.55 -0.07 -0.55 8.53 8.45 3hahB1 ASN 44 HA -0.00 -0.00 0.45 -0.75 4.76 4.45 3hahB1 ASN 44 HB2 -0.01 0.12 0.15 -0.04 2.88 3.10 3hahB1 ASN 44 HB3 -0.00 -0.05 -0.02 -0.04 2.79 2.68 3hahB1 ASN 44 HD21 -0.00 -0.04 -0.04 -0.04 7.03 6.91 3hahB1 ASN 44 HD22 -0.00 -0.02 -0.04 -0.04 7.74 7.63 3hahB1 CYS 45 H -0.02 0.67 -0.00 -0.55 8.50 8.60 3hahB1 CYS 45 HA -0.01 -0.03 0.43 -0.75 4.58 4.21 3hahB1 CYS 45 HB2 -0.02 0.03 0.14 -0.04 2.97 3.08 3hahB1 CYS 45 HB3 -0.03 0.15 0.24 -0.04 2.97 3.29 3hahB1 VAL 46 H -0.02 0.66 -0.14 -0.55 8.24 8.20 3hahB1 VAL 46 HA -0.01 -0.02 0.38 -0.75 4.13 3.73 3hahB1 VAL 46 HB -0.01 0.15 0.20 -0.04 2.12 2.43 3hahB1 VAL 46 HG13 0.01 -0.02 -0.07 -0.04 0.97 0.85 3hahB1 VAL 46 HG23 -0.03 0.01 0.05 -0.04 0.95 0.94 3hahB1 GLN 47 H 0.00 0.62 -0.02 -0.55 8.47 8.53 3hahB1 GLN 47 HA 0.01 -0.03 0.45 -0.75 4.36 4.04 3hahB1 GLN 47 HB2 0.01 0.21 0.25 -0.04 2.15 2.57 3hahB1 GLN 47 HB3 0.01 0.05 0.16 -0.04 2.02 2.20 3hahB1 GLN 47 HG2 0.01 -0.06 0.02 -0.04 2.40 2.32 3hahB1 GLN 47 HG3 0.01 -0.01 0.09 -0.04 2.39 2.44 3hahB1 GLN 47 HE21 0.01 -0.01 0.00 -0.04 6.97 6.93 3hahB1 GLN 47 HE22 0.02 -0.00 0.02 -0.04 7.69 7.68 3hahB1 GLU 48 H 0.00 0.79 -0.08 -0.55 8.60 8.76 3hahB1 GLU 48 HA 0.01 -0.03 0.45 -0.75 4.29 3.96 3hahB1 GLU 48 HB2 -0.00 0.19 0.17 -0.04 2.09 2.40 3hahB1 GLU 48 HB3 -0.00 -0.06 0.01 -0.04 1.99 1.90 3hahB1 GLU 48 HG2 0.00 -0.05 0.04 -0.04 2.34 2.29 3hahB1 GLU 48 HG3 0.00 0.01 0.04 -0.04 2.34 2.35 3hahB1 ARG 49 H 0.00 0.51 -0.13 -0.55 8.46 8.29 3hahB1 ARG 49 HA 0.00 0.02 0.60 -0.75 4.34 4.21 3hahB1 ARG 49 HB2 -0.00 -0.02 0.12 -0.04 1.90 1.95 3hahB1 ARG 49 HB3 0.00 0.19 0.19 -0.04 1.80 2.14 3hahB1 ARG 49 HG2 0.01 0.00 -0.02 -0.04 1.67 1.62 3hahB1 ARG 49 HG3 0.02 0.00 -0.28 -0.04 1.67 1.38 3hahB1 ARG 49 HD2 0.02 -0.03 0.04 -0.04 3.22 3.21 3hahB1 ARG 49 HD3 0.01 -0.04 0.15 -0.04 3.22 3.29 3hahB1 ALA 50 H 0.02 0.50 -0.17 -0.55 8.40 8.20 3hahB1 ALA 50 HA 0.04 0.02 0.48 -0.75 4.34 4.12 3hahB1 ALA 50 HB3 0.02 0.06 0.19 -0.04 1.41 1.64 3hahB1 LYS 51 H 0.02 0.48 -0.07 -0.55 8.42 8.29 3hahB1 LYS 51 HA 0.03 0.01 0.31 -0.75 4.32 3.92 3hahB1 LYS 51 HB2 0.02 -0.02 0.12 -0.04 1.87 1.94 3hahB1 LYS 51 HB3 0.02 0.12 0.18 -0.04 1.79 2.07 3hahB1 LYS 51 HG2 0.01 0.07 -0.15 -0.04 1.46 1.35 3hahB1 LYS 51 HG3 0.02 -0.08 0.01 -0.04 1.46 1.37 3hahB1 LYS 51 HD2 0.01 -0.02 0.02 -0.04 1.69 1.67 3hahB1 LYS 51 HD3 0.01 0.02 0.02 -0.04 1.68 1.69 3hahB1 LYS 51 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 3hahB1 LYS 51 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 3hahB1 ILE 52 H 0.02 0.30 -0.61 -0.55 8.25 7.42 3hahB1 ILE 52 HA 0.02 0.04 0.60 -0.75 4.18 4.09 3hahB1 ILE 52 HB 0.01 0.19 0.22 -0.04 1.89 2.27 3hahB1 ILE 52 HG12 -0.00 -0.06 0.05 -0.04 1.49 1.43 3hahB1 ILE 52 HG13 0.01 0.01 0.02 -0.04 1.21 1.20 3hahB1 ILE 52 HG23 -0.02 -0.02 -0.11 -0.04 0.93 0.74 3hahB1 ILE 52 HD13 -0.01 0.00 0.01 -0.04 0.88 0.84 3hahB1 GLU 53 H 0.05 0.55 0.05 -0.55 8.60 8.71 3hahB1 GLU 53 HA 0.12 0.00 0.48 -0.75 4.29 4.14 3hahB1 GLU 53 HB2 0.09 0.08 0.17 -0.04 2.09 2.39 3hahB1 GLU 53 HB3 0.20 0.03 0.16 -0.04 1.99 2.34 3hahB1 GLU 53 HG2 0.07 0.18 0.14 -0.04 2.34 2.69 3hahB1 GLU 53 HG3 0.08 -0.00 -0.01 -0.04 2.34 2.37 3hahB1 LYS 54 H 0.06 0.38 -0.43 -0.55 8.42 7.88 3hahB1 LYS 54 HA 0.06 0.06 0.47 -0.75 4.32 4.15 3hahB1 LYS 54 HB2 0.04 0.15 0.09 -0.04 1.87 2.10 3hahB1 LYS 54 HB3 0.04 0.12 0.08 -0.04 1.79 1.98 3hahB1 LYS 54 HG2 0.03 -0.08 -0.02 -0.04 1.46 1.36 3hahB1 LYS 54 HG3 0.03 0.00 0.02 -0.04 1.46 1.47 3hahB1 LYS 54 HD2 0.03 0.02 -0.01 -0.04 1.69 1.68 3hahB1 LYS 54 HD3 0.03 0.00 -0.06 -0.04 1.68 1.61 3hahB1 LYS 54 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.93 3hahB1 LYS 54 HE3 0.02 0.01 -0.01 -0.04 2.99 2.96 3hahB1 ALA 55 H 0.05 0.40 -0.11 -0.55 8.40 8.19 3hahB1 ALA 55 HA 0.04 0.01 0.46 -0.75 4.34 4.09 3hahB1 ALA 55 HB3 0.04 0.06 0.18 -0.04 1.41 1.65 3hahB1 TYR 56 H 0.13 0.42 -0.30 -0.55 8.29 7.98 3hahB1 TYR 56 HA -0.06 0.04 0.48 -0.75 4.56 4.27 3hahB1 TYR 56 HB2 -0.12 0.04 0.10 -0.04 3.06 3.04 3hahB1 TYR 56 HB3 -0.19 0.12 0.12 -0.04 2.98 2.99 3hahB1 TYR 56 HD2 -0.63 0.02 0.02 -0.04 7.15 6.53 3hahB1 TYR 56 HE2 -0.28 -0.00 -0.02 -0.04 6.85 6.51 3hahB1 GLY 57 H 0.02 0.36 -0.24 -0.55 8.43 8.03 3hahB1 GLY 57 HA2 -0.21 0.02 0.58 -0.51 4.01 3.90 3hahB1 GLY 57 HA3 -0.01 0.15 0.39 -0.51 4.01 4.03 3hahB1 GLN 58 H 0.00 0.51 -0.20 -0.55 8.47 8.23 3hahB1 GLN 58 HA 0.01 0.04 0.50 -0.75 4.36 4.16 3hahB1 GLN 58 HB2 0.02 0.13 0.13 -0.04 2.15 2.40 3hahB1 GLN 58 HB3 0.02 0.08 0.14 -0.04 2.02 2.23 3hahB1 GLN 58 HG2 0.02 0.00 0.02 -0.04 2.40 2.40 3hahB1 GLN 58 HG3 0.03 -0.02 -0.05 -0.04 2.39 2.30 3hahB1 GLN 58 HE21 0.02 -0.01 0.02 -0.04 6.97 6.97 3hahB1 GLN 58 HE22 0.02 0.00 0.01 -0.04 7.69 7.68 3hahB1 GLN 59 H -0.01 0.45 -0.18 -0.55 8.47 8.19 3hahB1 GLN 59 HA 0.06 0.01 0.36 -0.75 4.36 4.03 3hahB1 GLN 59 HB2 0.02 0.15 0.22 -0.04 2.15 2.50 3hahB1 GLN 59 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 3hahB1 GLN 59 HG2 0.06 -0.06 0.06 -0.04 2.40 2.42 3hahB1 GLN 59 HG3 0.04 0.08 0.09 -0.04 2.39 2.57 3hahB1 GLN 59 HE21 0.04 -0.01 0.00 -0.04 6.97 6.96 3hahB1 GLN 59 HE22 0.05 -0.02 0.02 -0.04 7.69 7.69 3hahB1 LEU 60 H -0.13 0.43 -0.28 -0.55 8.37 7.85 3hahB1 LEU 60 HA 0.02 0.01 0.56 -0.75 4.35 4.18 3hahB1 LEU 60 HB2 -0.19 0.09 0.22 -0.04 1.64 1.72 3hahB1 LEU 60 HB3 -0.05 0.07 0.08 -0.04 1.64 1.70 3hahB1 LEU 60 HG -0.78 0.27 0.13 -0.04 1.64 1.22 3hahB1 LEU 60 HD13 -0.45 -0.03 -0.03 -0.04 0.93 0.38 3hahB1 LEU 60 HD23 -0.24 -0.04 0.02 -0.04 0.89 0.59 3hahB1 THR 61 H 0.03 0.46 -0.21 -0.55 8.28 8.01 3hahB1 THR 61 HA 0.08 0.04 0.38 -0.75 4.39 4.14 3hahB1 THR 61 HB 0.03 -0.06 0.01 -0.04 4.32 4.26 3hahB1 THR 61 HG23 0.02 0.03 0.08 -0.04 1.22 1.31 3hahB1 ASP 62 H 0.09 0.54 -0.09 -0.55 8.40 8.39 3hahB1 ASP 62 HA 0.05 0.02 0.49 -0.75 4.63 4.45 3hahB1 ASP 62 HB2 0.11 0.11 0.19 -0.04 2.71 3.09 3hahB1 ASP 62 HB3 0.09 -0.04 0.02 -0.04 2.70 2.74 3hahB1 TRP 63 H 0.34 0.55 -0.15 -0.55 7.97 8.16 3hahB1 TRP 63 HA 0.20 -0.01 0.44 -0.75 4.62 4.50 3hahB1 TRP 63 HB2 0.09 0.07 0.16 -0.04 3.23 3.51 3hahB1 TRP 63 HB3 0.06 0.16 0.18 -0.04 3.23 3.59 3hahB1 TRP 63 HD1 0.25 -0.01 0.03 -0.04 7.22 7.45 3hahB1 TRP 63 HE1 -0.18 -0.00 -0.01 -0.04 10.20 9.96 3hahB1 TRP 63 HE3 0.03 0.14 -0.05 -0.04 7.59 7.67 3hahB1 TRP 63 HZ2 -0.23 0.00 -0.04 -0.04 7.44 7.13 3hahB1 TRP 63 HZ3 0.01 0.00 -0.13 -0.04 7.13 6.97 3hahB1 TRP 63 HH2 -0.02 -0.02 -0.10 -0.04 7.19 7.02 3hahB1 ALA 64 H 0.28 0.45 -0.30 -0.55 8.40 8.28 3hahB1 ALA 64 HA -0.21 -0.05 0.40 -0.75 4.34 3.73 3hahB1 ALA 64 HB3 0.10 0.02 0.15 -0.04 1.41 1.64 3hahB1 LYS 65 H 0.02 0.53 -0.22 -0.55 8.42 8.20 3hahB1 LYS 65 HA -0.07 0.01 0.50 -0.75 4.32 4.00 3hahB1 LYS 65 HB2 -0.01 0.14 0.20 -0.04 1.87 2.17 3hahB1 LYS 65 HB3 -0.04 0.02 0.18 -0.04 1.79 1.91 3hahB1 LYS 65 HG2 -0.06 -0.04 0.02 -0.04 1.46 1.33 3hahB1 LYS 65 HG3 -0.03 -0.01 0.03 -0.04 1.46 1.41 3hahB1 LYS 65 HD2 -0.03 0.01 0.03 -0.04 1.69 1.66 3hahB1 LYS 65 HD3 -0.05 -0.01 -0.04 -0.04 1.68 1.53 3hahB1 LYS 65 HE2 -0.02 0.00 -0.00 -0.04 2.99 2.93 3hahB1 LYS 65 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.91 3hahB1 ARG 66 H -0.08 0.68 0.08 -0.55 8.46 8.60 3hahB1 ARG 66 HA -0.28 -0.02 0.42 -0.75 4.34 3.70 3hahB1 ARG 66 HB2 -0.12 0.19 0.26 -0.04 1.90 2.20 3hahB1 ARG 66 HB3 -0.91 -0.05 -0.02 -0.04 1.80 0.78 3hahB1 ARG 66 HG2 -0.11 -0.01 0.09 -0.04 1.67 1.60 3hahB1 ARG 66 HG3 0.01 -0.03 0.03 -0.04 1.67 1.64 3hahB1 ARG 66 HD2 -0.43 -0.03 0.04 -0.04 3.22 2.77 3hahB1 ARG 66 HD3 -0.15 -0.01 0.02 -0.04 3.22 3.03 3hahB1 TRP 67 H -0.21 0.49 -0.29 -0.55 7.97 7.41 3hahB1 TRP 67 HA -0.34 -0.01 0.35 -0.75 4.62 3.86 3hahB1 TRP 67 HB2 -0.86 0.11 0.09 -0.04 3.23 2.53 3hahB1 TRP 67 HB3 -0.62 -0.03 0.02 -0.04 3.23 2.56 3hahB1 TRP 67 HD1 -1.08 0.30 0.11 -0.04 7.22 6.51 3hahB1 TRP 67 HE1 -0.00 -0.01 -0.00 -0.04 10.20 10.14 3hahB1 TRP 67 HE3 -0.32 -0.02 -0.04 -0.04 7.59 7.17 3hahB1 TRP 67 HZ2 0.09 -0.00 -0.02 -0.04 7.44 7.46 3hahB1 TRP 67 HZ3 0.14 0.02 -0.06 -0.04 7.13 7.20 3hahB1 TRP 67 HH2 0.10 0.00 -0.03 -0.04 7.19 7.23 3hahB1 ARG 68 H -0.18 0.60 -0.00 -0.55 8.46 8.32 3hahB1 ARG 68 HA -0.20 -0.00 0.54 -0.75 4.34 3.93 3hahB1 ARG 68 HB2 -0.12 0.11 0.23 -0.04 1.90 2.07 3hahB1 ARG 68 HB3 -0.12 0.09 0.20 -0.04 1.80 1.92 3hahB1 ARG 68 HG2 -0.10 -0.02 -0.07 -0.04 1.67 1.44 3hahB1 ARG 68 HG3 -0.12 -0.04 0.12 -0.04 1.67 1.59 3hahB1 ARG 68 HD2 -0.07 0.01 0.00 -0.04 3.22 3.13 3hahB1 ARG 68 HD3 -0.06 -0.03 -0.00 -0.04 3.22 3.08 3hahB1 GLN 69 H -0.21 0.46 -0.32 -0.55 8.47 7.86 3hahB1 GLN 69 HA -0.14 0.04 0.52 -0.75 4.36 4.02 3hahB1 GLN 69 HB2 -0.19 0.25 0.14 -0.04 2.15 2.32 3hahB1 GLN 69 HB3 -0.21 0.02 0.05 -0.04 2.02 1.85 3hahB1 GLN 69 HG2 -0.12 -0.03 0.01 -0.04 2.40 2.23 3hahB1 GLN 69 HG3 -0.11 -0.03 0.04 -0.04 2.39 2.26 3hahB1 GLN 69 HE21 -0.08 -0.06 -0.03 -0.04 6.97 6.76 3hahB1 GLN 69 HE22 -0.10 0.02 -0.00 -0.04 7.69 7.56 3hahB1 LEU 70 H -0.37 0.50 0.20 -0.55 8.37 8.15 3hahB1 LEU 70 HA -0.23 0.04 0.45 -0.75 4.35 3.85 3hahB1 LEU 70 HB2 -0.61 -0.00 0.07 -0.04 1.64 1.05 3hahB1 LEU 70 HB3 -0.38 -0.03 0.03 -0.04 1.64 1.22 3hahB1 LEU 70 HG -0.69 0.25 0.09 -0.04 1.64 1.25 3hahB1 LEU 70 HD13 -2.01 -0.03 -0.06 -0.04 0.93 -1.21 3hahB1 LEU 70 HD23 -0.34 -0.01 0.01 -0.04 0.89 0.50 3hahB1 ILE 71 H -0.27 0.53 -0.31 -0.55 8.25 7.65 3hahB1 ILE 71 HA -0.33 0.01 0.56 -0.75 4.18 3.66 3hahB1 ILE 71 HB -0.40 0.12 0.12 -0.04 1.89 1.68 3hahB1 ILE 71 HG12 -2.16 -0.08 -0.01 -0.04 1.49 -0.80 3hahB1 ILE 71 HG13 -0.66 0.05 0.03 -0.04 1.21 0.59 3hahB1 ILE 71 HG23 -0.34 -0.01 -0.12 -0.04 0.93 0.42 3hahB1 ILE 71 HD13 -1.50 -0.03 -0.15 -0.04 0.88 -0.84 3hahB1 GLU 72 H -0.17 0.24 -0.22 -0.55 8.60 7.90 3hahB1 GLU 72 HA -0.07 0.02 0.49 -0.75 4.29 3.97 3hahB1 GLU 72 HB2 -0.09 -0.02 0.19 -0.04 2.09 2.13 3hahB1 GLU 72 HB3 -0.11 0.09 0.36 -0.04 1.99 2.29 3hahB1 GLU 72 HG2 -0.07 -0.07 0.03 -0.04 2.34 2.20 3hahB1 GLU 72 HG3 -0.05 0.07 -0.38 -0.04 2.34 1.94 3hahB1 LYS 73 H -0.09 0.58 0.06 -0.55 8.42 8.41 3hahB1 LYS 73 HA -0.02 0.04 0.39 -0.75 4.32 3.97 3hahB1 LYS 73 HB2 -0.08 0.02 0.05 -0.04 1.87 1.82 3hahB1 LYS 73 HB3 -0.04 -0.07 0.10 -0.04 1.79 1.74 3hahB1 LYS 73 HG2 -0.04 -0.04 0.04 -0.04 1.46 1.38 3hahB1 LYS 73 HG3 -0.07 0.03 0.10 -0.04 1.46 1.47 3hahB1 LYS 73 HD2 -0.10 0.01 -0.05 -0.04 1.69 1.50 3hahB1 LYS 73 HD3 -0.06 -0.04 0.00 -0.04 1.68 1.54 3hahB1 LYS 73 HE2 -0.09 0.01 0.01 -0.04 2.99 2.89 3hahB1 LYS 73 HE3 -0.08 -0.05 -0.02 -0.04 2.99 2.80 3hahB1 GLY 74 H -0.03 0.15 -0.78 -0.55 8.43 7.22 3hahB1 GLY 74 HA2 0.04 0.05 0.65 -0.51 4.01 4.24 3hahB1 GLY 74 HA3 0.06 -0.01 0.34 -0.51 4.01 3.89 3hahB1 PRO 75 HA 0.16 0.15 0.37 -0.51 4.44 4.61 3hahB1 PRO 75 HB2 0.16 -0.04 -0.01 -0.04 2.28 2.35 3hahB1 PRO 75 HB3 0.13 0.02 0.11 -0.04 2.02 2.24 3hahB1 PRO 75 HG2 0.11 -0.01 0.06 -0.04 2.03 2.14 3hahB1 PRO 75 HG3 0.09 0.05 0.09 -0.04 2.03 2.22 3hahB1 PRO 75 HD2 0.14 0.06 0.15 -0.04 3.68 4.00 3hahB1 PRO 75 HD3 0.09 0.13 0.26 -0.04 3.65 4.09 3hahB1 GLN 76 H 0.16 0.14 -0.40 -0.55 8.47 7.82 3hahB1 GLN 76 HA 0.11 0.01 0.61 -0.75 4.36 4.33 3hahB1 GLN 76 HB2 0.32 -0.04 0.05 -0.04 2.15 2.44 3hahB1 GLN 76 HB3 0.22 0.13 0.07 -0.04 2.02 2.39 3hahB1 GLN 76 HG2 0.47 0.00 -0.09 -0.04 2.40 2.74 3hahB1 GLN 76 HG3 0.13 -0.06 -0.26 -0.04 2.39 2.15 3hahB1 GLN 76 HE21 -0.08 -0.03 -0.02 -0.04 6.97 6.80 3hahB1 GLN 76 HE22 0.05 0.01 -0.03 -0.04 7.69 7.68 3hahB1 TYR 77 H -0.41 0.14 0.21 -0.55 8.29 7.68 3hahB1 TYR 77 HA -0.06 0.27 0.87 -0.75 4.56 4.88 3hahB1 TYR 77 HB2 -0.10 -0.07 0.07 -0.04 3.06 2.92 3hahB1 TYR 77 HB3 0.16 0.18 -0.26 -0.04 2.98 3.02 3hahB1 TYR 77 HD2 0.15 0.21 -0.08 -0.04 7.15 7.39 3hahB1 TYR 77 HE2 0.15 0.05 -0.04 -0.04 6.85 6.97 3hahB1 GLY 78 H -0.29 0.23 0.16 -0.55 8.43 7.98 3hahB1 GLY 78 HA2 -0.36 0.13 0.36 -0.51 4.01 3.62 3hahB1 GLY 78 HA3 -0.07 0.04 0.56 -0.51 4.01 4.03 3hahB1 SER 79 H -0.07 0.17 0.23 -0.55 8.46 8.25 3hahB1 SER 79 HA -0.07 0.17 0.51 -0.75 4.49 4.35 3hahB1 SER 79 HB2 -0.03 0.09 0.11 -0.04 3.95 4.07 3hahB1 SER 79 HB3 -0.03 0.09 0.13 -0.04 3.93 4.08 3hahB1 LEU 80 H -0.08 0.16 0.03 -0.55 8.37 7.93 3hahB1 LEU 80 HA -0.01 0.06 0.42 -0.75 4.35 4.06 3hahB1 LEU 80 HB2 -0.12 0.06 0.10 -0.04 1.64 1.63 3hahB1 LEU 80 HB3 -0.06 0.06 -0.02 -0.04 1.64 1.58 3hahB1 LEU 80 HG -0.04 -0.06 -0.05 -0.04 1.64 1.45 3hahB1 LEU 80 HD13 -0.06 0.01 -0.05 -0.04 0.93 0.78 3hahB1 LEU 80 HD23 -0.06 0.02 0.00 -0.04 0.89 0.81 3hahB1 GLU 81 H -0.07 0.21 -0.78 -0.55 8.60 7.41 3hahB1 GLU 81 HA 0.16 0.09 0.43 -0.75 4.29 4.21 3hahB1 GLU 81 HB2 -0.02 -0.05 -0.55 -0.04 2.09 1.43 3hahB1 GLU 81 HB3 -0.05 0.12 -0.20 -0.04 1.99 1.82 3hahB1 GLU 81 HG2 -0.04 -0.12 -0.23 -0.04 2.34 1.90 3hahB1 GLU 81 HG3 0.01 0.13 -0.14 -0.04 2.34 2.30 3hahB1 ARG 82 H -0.03 0.22 -0.25 -0.55 8.46 7.84 3hahB1 ARG 82 HA -0.03 0.07 0.46 -0.75 4.34 4.09 3hahB1 ARG 82 HB2 -0.04 0.07 0.25 -0.04 1.90 2.14 3hahB1 ARG 82 HB3 -0.02 -0.00 -0.03 -0.04 1.80 1.71 3hahB1 ARG 82 HG2 -0.04 -0.01 0.02 -0.04 1.67 1.60 3hahB1 ARG 82 HG3 -0.06 0.04 0.01 -0.04 1.67 1.62 3hahB1 ARG 82 HD2 -0.04 -0.01 0.01 -0.04 3.22 3.14 3hahB1 ARG 82 HD3 -0.04 -0.00 -0.01 -0.04 3.22 3.13 3hahB1 ALA 83 H 0.02 0.58 0.05 -0.55 8.40 8.51 3hahB1 ALA 83 HA 0.03 0.07 0.32 -0.75 4.34 4.01 3hahB1 ALA 83 HB3 0.03 0.00 0.11 -0.04 1.41 1.50 3hahB1 TRP 84 H 0.23 0.46 -0.30 -0.55 7.97 7.80 3hahB1 TRP 84 HA -0.03 -0.00 0.44 -0.75 4.62 4.28 3hahB1 TRP 84 HB2 -0.04 0.04 0.13 -0.04 3.23 3.32 3hahB1 TRP 84 HB3 -0.04 0.17 0.09 -0.04 3.23 3.42 3hahB1 TRP 84 HD1 -0.05 -0.08 0.15 -0.04 7.22 7.21 3hahB1 TRP 84 HE1 -0.20 -0.04 -0.01 -0.04 10.20 9.92 3hahB1 TRP 84 HE3 -0.02 0.03 -0.01 -0.04 7.59 7.55 3hahB1 TRP 84 HZ2 -0.18 -0.03 -0.03 -0.04 7.44 7.17 3hahB1 TRP 84 HZ3 0.04 -0.00 -0.01 -0.04 7.13 7.12 3hahB1 TRP 84 HH2 0.14 0.00 -0.03 -0.04 7.19 7.26 3hahB1 GLY 85 H 0.05 0.38 -0.40 -0.55 8.43 7.91 3hahB1 GLY 85 HA2 -0.19 0.00 0.47 -0.51 4.01 3.78 3hahB1 GLY 85 HA3 -0.10 0.10 0.33 -0.51 4.01 3.83 3hahB1 ALA 86 H 0.04 0.48 -0.37 -0.55 8.40 8.00 3hahB1 ALA 86 HA -0.01 0.01 0.51 -0.75 4.34 4.10 3hahB1 ALA 86 HB3 0.01 0.06 0.11 -0.04 1.41 1.55 3hahB1 ILE 87 H 0.09 0.43 -0.47 -0.55 8.25 7.75 3hahB1 ILE 87 HA 0.10 0.04 0.60 -0.75 4.18 4.16 3hahB1 ILE 87 HB 0.22 0.22 0.16 -0.04 1.89 2.45 3hahB1 ILE 87 HG12 0.14 -0.07 0.01 -0.04 1.49 1.53 3hahB1 ILE 87 HG13 0.18 0.15 0.07 -0.04 1.21 1.56 3hahB1 ILE 87 HG23 0.39 -0.02 -0.08 -0.04 0.93 1.17 3hahB1 ILE 87 HD13 0.21 -0.00 0.02 -0.04 0.88 1.06 3hahB1 MET 88 H -0.02 0.32 -0.06 -0.55 8.47 8.16 3hahB1 MET 88 HA 0.14 0.03 0.50 -0.75 4.52 4.43 3hahB1 MET 88 HB2 -0.13 0.15 0.15 -0.04 2.15 2.29 3hahB1 MET 88 HB3 -0.08 0.01 0.10 -0.04 2.03 2.03 3hahB1 MET 88 HG2 -0.28 0.12 0.17 -0.04 2.63 2.60 3hahB1 MET 88 HG3 -0.50 -0.05 0.06 -0.04 2.56 2.02 3hahB1 MET 88 HE3 -0.27 0.04 0.04 -0.04 2.10 1.87 3hahB1 THR 89 H 0.01 0.21 -0.67 -0.55 8.28 7.28 3hahB1 THR 89 HA -0.00 0.06 0.59 -0.75 4.39 4.29 3hahB1 THR 89 HB -0.02 0.25 0.18 -0.04 4.32 4.69 3hahB1 THR 89 HG23 -0.02 -0.02 -0.03 -0.04 1.22 1.11 3hahB1 GLU 90 H -0.01 0.46 0.02 -0.55 8.60 8.53 3hahB1 GLU 90 HA -0.12 -0.01 0.56 -0.75 4.29 3.97 3hahB1 GLU 90 HB2 -0.40 -0.07 0.08 -0.04 2.09 1.65 3hahB1 GLU 90 HB3 -0.22 0.05 0.17 -0.04 1.99 1.95 3hahB1 GLU 90 HG2 -0.01 -0.05 0.08 -0.04 2.34 2.32 3hahB1 GLU 90 HG3 0.07 0.40 0.26 -0.04 2.34 3.03 3hahB1 ALA 91 H 0.14 0.45 -0.28 -0.55 8.40 8.16 3hahB1 ALA 91 HA 0.08 -0.01 0.35 -0.75 4.34 4.01 3hahB1 ALA 91 HB3 0.38 0.04 0.08 -0.04 1.41 1.87 3hahB1 ASP 92 H 0.06 0.43 -0.32 -0.55 8.40 8.02 3hahB1 ASP 92 HA 0.04 0.02 0.54 -0.75 4.63 4.47 3hahB1 ASP 92 HB2 0.01 0.14 0.28 -0.04 2.71 3.10 3hahB1 ASP 92 HB3 0.01 -0.07 0.06 -0.04 2.70 2.66 3hahB1 LYS 93 H -0.00 0.70 0.09 -0.55 8.42 8.64 3hahB1 LYS 93 HA 0.01 -0.02 0.30 -0.75 4.32 3.85 3hahB1 LYS 93 HB2 -0.06 0.02 0.15 -0.04 1.87 1.94 3hahB1 LYS 93 HB3 -0.01 -0.04 0.09 -0.04 1.79 1.78 3hahB1 LYS 93 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.41 3hahB1 LYS 93 HG3 -0.02 0.36 0.12 -0.04 1.46 1.89 3hahB1 LYS 93 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.58 3hahB1 LYS 93 HD3 -0.05 -0.03 -0.00 -0.04 1.68 1.55 3hahB1 LYS 93 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 3hahB1 LYS 93 HE3 0.00 -0.00 0.01 -0.04 2.99 2.96 3hahB1 VAL 94 H 0.01 0.81 -0.12 -0.55 8.24 8.40 3hahB1 VAL 94 HA 0.15 -0.02 0.53 -0.75 4.13 4.04 3hahB1 VAL 94 HB 0.07 0.15 0.12 -0.04 2.12 2.42 3hahB1 VAL 94 HG13 0.30 -0.02 -0.13 -0.04 0.97 1.08 3hahB1 VAL 94 HG23 0.10 -0.02 0.04 -0.04 0.95 1.03 3hahB1 SER 95 H 0.03 0.51 -0.22 -0.55 8.46 8.24 3hahB1 SER 95 HA 0.01 -0.04 0.52 -0.75 4.49 4.23 3hahB1 SER 95 HB2 -0.05 -0.05 0.28 -0.04 3.95 4.08 3hahB1 SER 95 HB3 0.01 0.19 0.34 -0.04 3.93 4.44 3hahB1 GLU 96 H 0.04 0.63 -0.04 -0.55 8.60 8.68 3hahB1 GLU 96 HA 0.03 -0.00 0.48 -0.75 4.29 4.04 3hahB1 GLU 96 HB2 0.02 -0.03 0.09 -0.04 2.09 2.13 3hahB1 GLU 96 HB3 0.02 0.16 0.16 -0.04 1.99 2.30 3hahB1 GLU 96 HG2 0.02 0.04 -0.30 -0.04 2.34 2.07 3hahB1 GLU 96 HG3 0.01 -0.06 -0.09 -0.04 2.34 2.16 3hahB1 LEU 97 H 0.06 0.47 -0.18 -0.55 8.37 8.17 3hahB1 LEU 97 HA 0.00 -0.02 0.38 -0.75 4.35 3.96 3hahB1 LEU 97 HB2 0.07 0.20 0.22 -0.04 1.64 2.08 3hahB1 LEU 97 HB3 -0.04 -0.03 0.04 -0.04 1.64 1.57 3hahB1 LEU 97 HG 0.06 0.18 0.09 -0.04 1.64 1.93 3hahB1 LEU 97 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.95 3hahB1 LEU 97 HD23 0.03 -0.03 0.00 -0.04 0.89 0.86 3hahB1 HIS 98 H 0.15 0.48 -0.16 -0.55 8.41 8.35 3hahB1 HIS 98 HA 0.07 0.07 0.70 -0.75 4.63 4.71 3hahB1 HIS 98 HB2 0.06 0.07 0.24 -0.04 3.26 3.59 3hahB1 HIS 98 HB3 0.12 0.13 0.18 -0.04 3.20 3.59 3hahB1 HIS 98 HD2 0.15 0.20 -0.02 -0.04 6.97 7.26 3hahB1 HIS 98 HE1 0.05 -0.02 0.03 -0.04 7.75 7.77 3hahB1 GLN 99 H 0.09 0.58 -0.04 -0.55 8.47 8.56 3hahB1 GLN 99 HA 0.06 0.01 0.49 -0.75 4.36 4.16 3hahB1 GLN 99 HB2 0.05 0.19 0.20 -0.04 2.15 2.55 3hahB1 GLN 99 HB3 0.03 0.01 0.05 -0.04 2.02 2.07 3hahB1 GLN 99 HG2 0.03 -0.02 0.02 -0.04 2.40 2.38 3hahB1 GLN 99 HG3 0.03 -0.06 0.10 -0.04 2.39 2.43 3hahB1 GLN 99 HE21 0.03 0.07 0.04 -0.04 6.97 7.07 3hahB1 GLN 99 HE22 0.03 -0.02 0.02 -0.04 7.69 7.67 3hahB1 GLU 100 H 0.02 0.64 -0.11 -0.55 8.60 8.61 3hahB1 GLU 100 HA -0.01 -0.02 0.59 -0.75 4.29 4.10 3hahB1 GLU 100 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.08 3hahB1 GLU 100 HB3 -0.01 0.15 0.20 -0.04 1.99 2.29 3hahB1 GLU 100 HG2 -0.05 0.05 -0.19 -0.04 2.34 2.11 3hahB1 GLU 100 HG3 -0.04 -0.07 0.04 -0.04 2.34 2.23 3hahB1 VAL 101 H -0.00 0.44 -0.16 -0.55 8.24 7.97 3hahB1 VAL 101 HA -0.03 0.09 0.50 -0.75 4.13 3.94 3hahB1 VAL 101 HB 0.03 0.07 0.27 -0.04 2.12 2.44 3hahB1 VAL 101 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.84 3hahB1 VAL 101 HG23 -0.06 0.14 0.12 -0.04 0.95 1.10 3hahB1 LYS 102 H 0.04 0.42 -0.30 -0.55 8.42 8.02 3hahB1 LYS 102 HA 0.04 0.01 0.36 -0.75 4.32 3.98 3hahB1 LYS 102 HB2 0.06 0.04 0.10 -0.04 1.87 2.03 3hahB1 LYS 102 HB3 0.04 0.15 0.13 -0.04 1.79 2.06 3hahB1 LYS 102 HG2 0.03 -0.08 -0.09 -0.04 1.46 1.28 3hahB1 LYS 102 HG3 0.03 -0.02 0.01 -0.04 1.46 1.45 3hahB1 LYS 102 HD2 0.02 -0.05 -0.06 -0.04 1.69 1.57 3hahB1 LYS 102 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.62 3hahB1 LYS 102 HE2 0.03 0.10 0.09 -0.04 2.99 3.18 3hahB1 LYS 102 HE3 0.02 -0.02 -0.08 -0.04 2.99 2.87 3hahB1 ASN 103 H -0.00 0.36 -0.36 -0.55 8.53 7.98 3hahB1 ASN 103 HA 0.00 0.05 0.72 -0.75 4.76 4.78 3hahB1 ASN 103 HB2 -0.02 0.12 0.22 -0.04 2.88 3.15 3hahB1 ASN 103 HB3 -0.01 -0.06 0.08 -0.04 2.79 2.75 3hahB1 ASN 103 HD21 0.01 0.01 -0.01 -0.04 7.03 6.99 3hahB1 ASN 103 HD22 0.01 -0.07 0.04 -0.04 7.74 7.67 3hahB1 ASN 104 H -0.07 0.71 0.07 -0.55 8.53 8.70 3hahB1 ASN 104 HA -0.14 -0.05 0.41 -0.75 4.76 4.23 3hahB1 ASN 104 HB2 -0.19 0.22 0.21 -0.04 2.88 3.07 3hahB1 ASN 104 HB3 -0.78 -0.02 0.12 -0.04 2.79 2.07 3hahB1 ASN 104 HD21 -0.18 -0.06 0.02 -0.04 7.03 6.76 3hahB1 ASN 104 HD22 -0.22 0.09 0.01 -0.04 7.74 7.58 3hahB1 LEU 105 H 0.01 0.18 -1.05 -0.55 8.37 6.97 3hahB1 LEU 105 HA 0.10 0.10 0.84 -0.75 4.35 4.63 3hahB1 LEU 105 HB2 0.03 0.16 0.09 -0.04 1.64 1.89 3hahB1 LEU 105 HB3 0.03 -0.07 -0.02 -0.04 1.64 1.54 3hahB1 LEU 105 HG 0.05 0.31 -0.06 -0.04 1.64 1.89 3hahB1 LEU 105 HD13 0.03 -0.01 -0.08 -0.04 0.93 0.83 3hahB1 LEU 105 HD23 0.07 -0.02 -0.03 -0.04 0.89 0.87 3hahB1 LEU 106 H 0.02 0.41 0.11 -0.55 8.37 8.36 3hahB1 LEU 106 HA 0.03 0.09 0.86 -0.75 4.35 4.58 3hahB1 LEU 106 HB2 0.02 0.10 0.26 -0.04 1.64 1.98 3hahB1 LEU 106 HB3 0.02 -0.03 0.10 -0.04 1.64 1.69 3hahB1 LEU 106 HG 0.02 0.02 0.00 -0.04 1.64 1.64 3hahB1 LEU 106 HD13 0.02 0.01 0.04 -0.04 0.93 0.96 3hahB1 LEU 106 HD23 0.02 -0.01 0.05 -0.04 0.89 0.91 3hahB1 ASN 107 H 0.02 0.64 0.23 -0.55 8.53 8.87 3hahB1 ASN 107 HA 0.03 0.18 0.75 -0.75 4.76 4.97 3hahB1 ASN 107 HB2 0.00 0.03 -0.00 -0.04 2.88 2.87 3hahB1 ASN 107 HB3 0.01 0.00 0.06 -0.04 2.79 2.82 3hahB1 ASN 107 HD21 0.00 0.00 0.02 -0.04 7.03 7.01 3hahB1 ASN 107 HD22 -0.00 -0.00 -0.02 -0.04 7.74 7.67 3hahB1 GLU 108 H 0.04 0.02 -0.17 -0.55 8.60 7.94 3hahB1 GLU 108 HA 0.06 0.26 1.02 -0.75 4.29 4.88 3hahB1 GLU 108 HB2 0.06 0.19 0.11 -0.04 2.09 2.41 3hahB1 GLU 108 HB3 0.13 0.02 0.06 -0.04 1.99 2.16 3hahB1 GLU 108 HG2 0.03 0.09 -0.30 -0.04 2.34 2.12 3hahB1 GLU 108 HG3 -0.02 -0.05 -0.15 -0.04 2.34 2.08 3hahB1 ASP 109 H 0.08 0.05 -0.16 -0.55 8.40 7.82 3hahB1 ASP 109 HA 0.04 0.19 0.93 -0.75 4.63 5.04 3hahB1 ASP 109 HB2 0.07 0.08 0.29 -0.04 2.71 3.11 3hahB1 ASP 109 HB3 -0.00 -0.01 0.06 -0.04 2.70 2.70 3hahB1 LEU 110 H 0.04 0.62 0.16 -0.55 8.37 8.64 3hahB1 LEU 110 HA 0.03 0.06 0.52 -0.75 4.35 4.20 3hahB1 LEU 110 HB2 0.02 0.12 0.25 -0.04 1.64 1.99 3hahB1 LEU 110 HB3 0.03 0.10 0.16 -0.04 1.64 1.89 3hahB1 LEU 110 HG 0.02 -0.06 0.19 -0.04 1.64 1.75 3hahB1 LEU 110 HD13 0.02 0.01 0.08 -0.04 0.93 0.99 3hahB1 LEU 110 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 3hahB1 GLU 111 H 0.06 0.05 -0.68 -0.55 8.60 7.48 3hahB1 GLU 111 HA 0.06 0.10 0.48 -0.75 4.29 4.18 3hahB1 GLU 111 HB2 0.06 0.09 -0.27 -0.04 2.09 1.93 3hahB1 GLU 111 HB3 0.06 -0.01 -0.09 -0.04 1.99 1.91 3hahB1 GLU 111 HG2 0.04 0.18 -0.01 -0.04 2.34 2.50 3hahB1 GLU 111 HG3 0.04 0.06 0.04 -0.04 2.34 2.44 3hahB1 LYS 112 H 0.09 0.17 -0.46 -0.55 8.42 7.66 3hahB1 LYS 112 HA 0.16 0.03 0.41 -0.75 4.32 4.17 3hahB1 LYS 112 HB2 0.10 0.25 0.23 -0.04 1.87 2.41 3hahB1 LYS 112 HB3 0.09 0.10 0.21 -0.04 1.79 2.15 3hahB1 LYS 112 HG2 0.36 -0.03 -0.07 -0.04 1.46 1.68 3hahB1 LYS 112 HG3 0.25 -0.06 0.09 -0.04 1.46 1.70 3hahB1 LYS 112 HD2 0.08 0.05 0.07 -0.04 1.69 1.86 3hahB1 LYS 112 HD3 0.01 0.00 0.06 -0.04 1.68 1.70 3hahB1 LYS 112 HE2 0.22 -0.02 0.00 -0.04 2.99 3.16 3hahB1 LYS 112 HE3 0.17 -0.02 0.02 -0.04 2.99 3.11 3hahB1 VAL 113 H 0.13 0.44 -0.23 -0.55 8.24 8.04 3hahB1 VAL 113 HA 0.45 0.03 0.45 -0.75 4.13 4.31 3hahB1 VAL 113 HB 0.08 0.11 0.10 -0.04 2.12 2.36 3hahB1 VAL 113 HG13 0.09 0.00 -0.11 -0.04 0.97 0.92 3hahB1 VAL 113 HG23 -0.00 0.01 0.02 -0.04 0.95 0.94 3hahB1 LYS 114 H 0.11 0.35 -0.29 -0.55 8.42 8.04 3hahB1 LYS 114 HA 0.09 0.00 0.40 -0.75 4.32 4.06 3hahB1 LYS 114 HB2 0.06 0.20 0.21 -0.04 1.87 2.30 3hahB1 LYS 114 HB3 0.07 0.06 0.12 -0.04 1.79 2.00 3hahB1 LYS 114 HG2 0.06 -0.02 -0.04 -0.04 1.46 1.42 3hahB1 LYS 114 HG3 0.05 -0.04 0.08 -0.04 1.46 1.51 3hahB1 LYS 114 HD2 0.04 0.04 0.01 -0.04 1.69 1.73 3hahB1 LYS 114 HD3 0.04 -0.00 -0.00 -0.04 1.68 1.68 3hahB1 LYS 114 HE2 0.04 -0.02 0.00 -0.04 2.99 2.98 3hahB1 LYS 114 HE3 0.04 -0.01 0.01 -0.04 2.99 2.98 3hahB1 ASN 115 H 0.13 0.52 -0.20 -0.55 8.53 8.43 3hahB1 ASN 115 HA 0.06 0.04 0.45 -0.75 4.76 4.56 3hahB1 ASN 115 HB2 0.10 0.10 0.14 -0.04 2.88 3.18 3hahB1 ASN 115 HB3 0.05 -0.03 0.01 -0.04 2.79 2.78 3hahB1 ASN 115 HD21 0.05 -0.04 -0.03 -0.04 7.03 6.97 3hahB1 ASN 115 HD22 0.07 -0.01 -0.04 -0.04 7.74 7.72 3hahB1 TRP 116 H 0.23 0.52 0.02 -0.55 7.97 8.19 3hahB1 TRP 116 HA -0.20 0.01 0.48 -0.75 4.62 4.16 3hahB1 TRP 116 HB2 -0.63 0.08 0.16 -0.04 3.23 2.81 3hahB1 TRP 116 HB3 -0.39 0.02 0.16 -0.04 3.23 2.98 3hahB1 TRP 116 HD1 -0.73 -0.00 0.03 -0.04 7.22 6.48 3hahB1 TRP 116 HE1 -0.35 0.03 -0.00 -0.04 10.20 9.84 3hahB1 TRP 116 HE3 -0.06 0.07 -0.32 -0.04 7.59 7.24 3hahB1 TRP 116 HZ2 -0.27 0.00 -0.29 -0.04 7.44 6.85 3hahB1 TRP 116 HZ3 0.27 -0.01 -0.11 -0.04 7.13 7.24 3hahB1 TRP 116 HH2 -0.15 -0.03 -0.07 -0.04 7.19 6.91 3hahB1 GLN 117 H 0.38 0.65 -0.11 -0.55 8.47 8.84 3hahB1 GLN 117 HA 0.33 -0.06 0.40 -0.75 4.36 4.29 3hahB1 GLN 117 HB2 0.20 0.01 0.13 -0.04 2.15 2.45 3hahB1 GLN 117 HB3 0.12 0.12 0.14 -0.04 2.02 2.37 3hahB1 GLN 117 HG2 0.11 0.02 -0.23 -0.04 2.40 2.26 3hahB1 GLN 117 HG3 -0.11 -0.08 0.07 -0.04 2.39 2.23 3hahB1 GLN 117 HE21 -0.49 -0.06 0.02 -0.04 6.97 6.39 3hahB1 GLN 117 HE22 -0.74 0.09 0.14 -0.04 7.69 7.14 3hahB1 LYS 118 H 0.08 0.59 -0.15 -0.55 8.42 8.39 3hahB1 LYS 118 HA 0.08 -0.05 0.46 -0.75 4.32 4.05 3hahB1 LYS 118 HB2 0.06 0.14 0.23 -0.04 1.87 2.26 3hahB1 LYS 118 HB3 0.03 0.18 0.24 -0.04 1.79 2.20 3hahB1 LYS 118 HG2 0.04 -0.06 0.01 -0.04 1.46 1.41 3hahB1 LYS 118 HG3 0.04 -0.00 -0.12 -0.04 1.46 1.33 3hahB1 LYS 118 HD2 0.08 0.01 0.13 -0.04 1.69 1.87 3hahB1 LYS 118 HD3 0.06 -0.03 0.04 -0.04 1.68 1.71 3hahB1 LYS 118 HE2 0.07 0.01 0.04 -0.04 2.99 3.06 3hahB1 LYS 118 HE3 0.06 -0.05 0.04 -0.04 2.99 3.00 3hahB1 ASP 119 H -0.13 0.47 -0.20 -0.55 8.40 7.99 3hahB1 ASP 119 HA -0.02 0.06 0.45 -0.75 4.63 4.37 3hahB1 ASP 119 HB2 -0.22 0.08 0.13 -0.04 2.71 2.66 3hahB1 ASP 119 HB3 -0.13 -0.07 0.02 -0.04 2.70 2.47 3hahB1 ALA 120 H -0.46 0.57 0.00 -0.55 8.40 7.97 3hahB1 ALA 120 HA -0.51 0.04 0.54 -0.75 4.34 3.66 3hahB1 ALA 120 HB3 -1.32 -0.03 0.05 -0.04 1.41 0.07 3hahB1 TYR 121 H 0.01 0.58 -0.07 -0.55 8.29 8.27 3hahB1 TYR 121 HA -0.14 0.03 0.98 -0.75 4.56 4.67 3hahB1 TYR 121 HB2 0.09 0.13 0.08 -0.04 3.06 3.32 3hahB1 TYR 121 HB3 -0.01 -0.14 -0.03 -0.04 2.98 2.75 3hahB1 TYR 121 HD2 -0.40 0.03 -0.01 -0.04 7.15 6.73 3hahB1 TYR 121 HE2 0.13 0.10 -0.06 -0.04 6.85 6.97 3hahB1 HIS 122 H 0.06 0.04 0.12 -0.55 8.41 8.08 3hahB1 HIS 122 HA 0.09 0.25 0.87 -0.75 4.63 5.07 3hahB1 HIS 122 HB2 0.02 -0.18 0.16 -0.04 3.26 3.22 3hahB1 HIS 122 HB3 0.01 0.07 0.08 -0.04 3.20 3.32 3hahB1 HIS 122 HD2 0.01 0.05 -0.02 -0.04 6.97 6.97 3hahB1 HIS 122 HE1 -0.07 -0.02 0.01 -0.04 7.75 7.63 3hahB1 LYS 123 H 0.09 0.21 0.13 -0.55 8.42 8.30 3hahB1 LYS 123 HA -0.24 0.08 0.56 -0.75 4.32 3.98 3hahB1 LYS 123 HB2 -0.12 0.01 0.05 -0.04 1.87 1.77 3hahB1 LYS 123 HB3 -0.08 -0.02 -0.13 -0.04 1.79 1.52 3hahB1 LYS 123 HG2 -0.36 0.28 0.06 -0.04 1.46 1.40 3hahB1 LYS 123 HG3 -0.58 -0.10 -0.04 -0.04 1.46 0.69 3hahB1 LYS 123 HD2 -0.11 0.01 -0.23 -0.04 1.69 1.32 3hahB1 LYS 123 HD3 -0.18 -0.05 -0.11 -0.04 1.68 1.31 3hahB1 LYS 123 HE2 -0.12 -0.00 -0.05 -0.04 2.99 2.78 3hahB1 LYS 123 HE3 -0.08 0.03 -0.06 -0.04 2.99 2.83 3hahB1 GLN 124 H -0.14 0.61 0.06 -0.55 8.47 8.46 3hahB1 GLN 124 HA -0.02 0.10 0.74 -0.75 4.36 4.42 3hahB1 GLN 124 HB2 -0.06 0.50 0.12 -0.04 2.15 2.67 3hahB1 GLN 124 HB3 -0.03 -0.15 0.07 -0.04 2.02 1.86 3hahB1 GLN 124 HG2 -0.01 0.01 0.03 -0.04 2.40 2.39 3hahB1 GLN 124 HG3 0.00 -0.08 -0.11 -0.04 2.39 2.16 3hahB1 GLN 124 HE21 -0.00 -0.09 -0.07 -0.04 6.97 6.78 3hahB1 GLN 124 HE22 -0.03 0.30 -0.10 -0.04 7.69 7.82 3hahB1 ILE 125 H -0.02 0.20 0.09 -0.55 8.25 7.97 3hahB1 ILE 125 HA -0.03 0.07 0.17 -0.75 4.18 3.64 3hahB1 ILE 125 HB -0.02 -0.02 -0.00 -0.04 1.89 1.81 3hahB1 ILE 125 HG12 -0.02 -0.05 0.15 -0.04 1.49 1.53 3hahB1 ILE 125 HG13 -0.02 0.01 0.06 -0.04 1.21 1.22 3hahB1 ILE 125 HG23 -0.01 0.01 0.02 -0.04 0.93 0.90 3hahB1 ILE 125 HD13 -0.01 0.01 0.02 -0.04 0.88 0.87 3hahB1 MET 126 H -0.03 -0.10 -0.64 -0.55 8.47 7.15 3hahB1 MET 126 HA -0.03 0.12 0.65 -0.75 4.52 4.51 3hahB1 MET 126 HB2 -0.02 -0.05 0.01 -0.04 2.15 2.04 3hahB1 MET 126 HB3 -0.02 0.01 -0.04 -0.04 2.03 1.94 3hahB1 MET 126 HG2 -0.02 -0.07 -0.07 -0.04 2.63 2.43 3hahB1 MET 126 HG3 -0.01 -0.00 -0.02 -0.04 2.56 2.48 3hahB1 MET 126 HE3 -0.02 0.02 0.05 -0.04 2.10 2.11 3hahB1 GLY 127 H -0.06 0.09 0.05 -0.55 8.43 7.97 3hahB1 GLY 127 HA2 -0.10 0.04 0.24 -0.51 4.01 3.68 3hahB1 GLY 127 HA3 -0.06 0.07 0.62 -0.51 4.01 4.13 3hahB1 GLY 128 H -0.17 0.13 0.14 -0.55 8.43 7.98 3hahB1 GLY 128 HA2 -0.22 0.04 0.36 -0.51 4.01 3.68 3hahB1 GLY 128 HA3 -0.07 0.06 0.39 -0.51 4.01 3.88 3hahB1 PHE 129 H 0.18 0.09 0.23 -0.55 8.34 8.28 3hahB1 PHE 129 HA 0.01 0.36 1.15 -0.75 4.62 5.38 3hahB1 PHE 129 HB2 0.04 -0.17 0.16 -0.04 3.15 3.14 3hahB1 PHE 129 HB3 0.04 0.02 0.15 -0.04 3.06 3.23 3hahB1 PHE 129 HD2 0.03 -0.04 -0.12 -0.04 7.28 7.11 3hahB1 PHE 129 HE2 -0.28 0.06 -0.07 -0.04 7.38 7.06 3hahB1 PHE 129 HZ -1.09 0.05 -0.05 -0.04 7.32 6.18 3hahB1 LYS 130 H 0.13 0.74 0.27 -0.55 8.42 9.00 3hahB1 LYS 130 HA 0.02 0.06 0.53 -0.75 4.32 4.18 3hahB1 LYS 130 HB2 0.05 0.09 0.09 -0.04 1.87 2.05 3hahB1 LYS 130 HB3 0.08 0.04 0.12 -0.04 1.79 2.00 3hahB1 LYS 130 HG2 -0.01 -0.07 0.09 -0.04 1.46 1.42 3hahB1 LYS 130 HG3 -0.01 0.00 0.07 -0.04 1.46 1.48 3hahB1 LYS 130 HD2 -0.01 0.05 0.01 -0.04 1.69 1.69 3hahB1 LYS 130 HD3 0.02 0.02 -0.03 -0.04 1.68 1.64 3hahB1 LYS 130 HE2 -0.04 -0.04 0.01 -0.04 2.99 2.88 3hahB1 LYS 130 HE3 -0.04 0.00 0.02 -0.04 2.99 2.93 3hahB1 GLU 131 H 0.07 0.06 -0.19 -0.55 8.60 7.99 3hahB1 GLU 131 HA -0.19 0.17 0.47 -0.75 4.29 3.98 3hahB1 GLU 131 HB2 -0.22 -0.07 0.08 -0.04 2.09 1.84 3hahB1 GLU 131 HB3 -0.65 0.06 0.03 -0.04 1.99 1.39 3hahB1 GLU 131 HG2 -0.70 0.20 0.11 -0.04 2.34 1.91 3hahB1 GLU 131 HG3 -0.34 0.03 0.04 -0.04 2.34 2.03 3hahB1 THR 132 H 0.10 0.03 -0.15 -0.55 8.28 7.71 3hahB1 THR 132 HA 0.03 0.14 0.60 -0.75 4.39 4.41 3hahB1 THR 132 HB 0.17 -0.01 0.21 -0.04 4.32 4.65 3hahB1 THR 132 HG23 0.12 0.02 -0.05 -0.04 1.22 1.26 3hahB1 LYS 133 H 0.05 0.49 -0.04 -0.55 8.42 8.37 3hahB1 LYS 133 HA 0.04 0.03 0.41 -0.75 4.32 4.05 3hahB1 LYS 133 HB2 0.02 0.15 0.20 -0.04 1.87 2.21 3hahB1 LYS 133 HB3 0.00 0.06 0.07 -0.04 1.79 1.88 3hahB1 LYS 133 HG2 0.02 0.00 0.03 -0.04 1.46 1.47 3hahB1 LYS 133 HG3 0.01 0.03 0.01 -0.04 1.46 1.46 3hahB1 LYS 133 HD2 0.01 0.01 -0.07 -0.04 1.69 1.60 3hahB1 LYS 133 HD3 0.03 -0.07 0.05 -0.04 1.68 1.65 3hahB1 LYS 133 HE2 0.02 0.00 -0.02 -0.04 2.99 2.95 3hahB1 LYS 133 HE3 0.01 0.03 -0.03 -0.04 2.99 2.96 3hahB1 GLU 134 H -0.03 0.49 -0.13 -0.55 8.60 8.39 3hahB1 GLU 134 HA -0.04 0.00 0.32 -0.75 4.29 3.81 3hahB1 GLU 134 HB2 -0.10 0.10 0.15 -0.04 2.09 2.20 3hahB1 GLU 134 HB3 -0.10 -0.02 0.01 -0.04 1.99 1.84 3hahB1 GLU 134 HG2 -0.05 -0.05 0.08 -0.04 2.34 2.27 3hahB1 GLU 134 HG3 -0.05 0.12 0.16 -0.04 2.34 2.53 3hahB1 ALA 135 H -0.05 0.35 -0.37 -0.55 8.40 7.78 3hahB1 ALA 135 HA -0.22 0.06 0.56 -0.75 4.34 3.98 3hahB1 ALA 135 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 3hahB1 GLU 136 H 0.08 0.69 0.08 -0.55 8.60 8.91 3hahB1 GLU 136 HA 0.33 -0.04 0.47 -0.75 4.29 4.30 3hahB1 GLU 136 HB2 0.17 -0.05 0.12 -0.04 2.09 2.30 3hahB1 GLU 136 HB3 0.10 0.15 0.25 -0.04 1.99 2.44 3hahB1 GLU 136 HG2 0.11 -0.02 -0.03 -0.04 2.34 2.36 3hahB1 GLU 136 HG3 0.12 0.01 -0.29 -0.04 2.34 2.15 3hahB1 ASP 137 H 0.01 0.71 -0.20 -0.55 8.40 8.37 3hahB1 ASP 137 HA 0.02 0.02 0.34 -0.75 4.63 4.26 3hahB1 ASP 137 HB2 -0.02 0.09 0.07 -0.04 2.71 2.80 3hahB1 ASP 137 HB3 -0.02 -0.02 -0.06 -0.04 2.70 2.56 3hahB1 GLY 138 H -0.10 0.50 -0.11 -0.55 8.43 8.17 3hahB1 GLY 138 HA2 -0.08 0.02 0.47 -0.51 4.01 3.92 3hahB1 GLY 138 HA3 -0.18 0.10 0.36 -0.51 4.01 3.79 3hahB1 PHE 139 H -0.20 0.65 -0.08 -0.55 8.34 8.16 3hahB1 PHE 139 HA -0.21 0.03 0.51 -0.75 4.62 4.20 3hahB1 PHE 139 HB2 -0.68 0.14 0.14 -0.04 3.15 2.71 3hahB1 PHE 139 HB3 -1.61 -0.08 -0.05 -0.04 3.06 1.28 3hahB1 PHE 139 HD2 0.00 0.00 -0.04 -0.04 7.28 7.20 3hahB1 PHE 139 HE2 0.23 0.03 -0.03 -0.04 7.38 7.57 3hahB1 PHE 139 HZ 0.34 -0.02 -0.04 -0.04 7.32 7.55 3hahB1 ARG 140 H -0.10 0.48 -0.19 -0.55 8.46 8.10 3hahB1 ARG 140 HA -0.03 -0.02 0.32 -0.75 4.34 3.86 3hahB1 ARG 140 HB2 0.07 0.09 0.15 -0.04 1.90 2.17 3hahB1 ARG 140 HB3 0.03 0.13 0.12 -0.04 1.80 2.03 3hahB1 ARG 140 HG2 0.06 -0.02 -0.07 -0.04 1.67 1.60 3hahB1 ARG 140 HG3 0.11 -0.05 0.03 -0.04 1.67 1.72 3hahB1 ARG 140 HD2 0.10 -0.02 -0.01 -0.04 3.22 3.25 3hahB1 ARG 140 HD3 0.06 0.03 -0.02 -0.04 3.22 3.25 3hahB1 LYS 141 H -0.01 0.44 -0.22 -0.55 8.42 8.08 3hahB1 LYS 141 HA 0.03 0.03 0.54 -0.75 4.32 4.16 3hahB1 LYS 141 HB2 0.00 0.03 0.13 -0.04 1.87 1.99 3hahB1 LYS 141 HB3 -0.01 0.07 0.16 -0.04 1.79 1.98 3hahB1 LYS 141 HG2 0.02 0.01 -0.11 -0.04 1.46 1.34 3hahB1 LYS 141 HG3 0.02 -0.05 0.07 -0.04 1.46 1.47 3hahB1 LYS 141 HD2 0.01 -0.02 0.01 -0.04 1.69 1.64 3hahB1 LYS 141 HD3 0.01 -0.00 0.02 -0.04 1.68 1.66 3hahB1 LYS 141 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.92 3hahB1 LYS 141 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 3hahB1 ALA 142 H 0.02 0.61 -0.09 -0.55 8.40 8.40 3hahB1 ALA 142 HA 0.10 -0.00 0.45 -0.75 4.34 4.14 3hahB1 ALA 142 HB3 0.10 0.00 0.04 -0.04 1.41 1.52 3hahB1 GLN 143 H 0.09 0.34 -0.50 -0.55 8.47 7.85 3hahB1 GLN 143 HA 0.26 0.08 0.56 -0.75 4.36 4.51 3hahB1 GLN 143 HB2 0.12 0.11 0.02 -0.04 2.15 2.37 3hahB1 GLN 143 HB3 0.13 0.02 -0.01 -0.04 2.02 2.12 3hahB1 GLN 143 HG2 0.22 -0.10 0.08 -0.04 2.40 2.56 3hahB1 GLN 143 HG3 0.34 0.05 0.01 -0.04 2.39 2.75 3hahB1 GLN 143 HE21 0.18 -0.19 -0.02 -0.04 6.97 6.90 3hahB1 GLN 143 HE22 0.30 0.15 -0.10 -0.04 7.69 8.00 3hahB1 LYS 144 H 0.09 0.41 -0.28 -0.55 8.42 8.09 3hahB1 LYS 144 HA 0.06 -0.02 0.33 -0.75 4.32 3.94 3hahB1 LYS 144 HB2 0.05 0.20 0.31 -0.04 1.87 2.39 3hahB1 LYS 144 HB3 0.05 -0.01 0.14 -0.04 1.79 1.93 3hahB1 LYS 144 HG2 0.03 -0.08 0.03 -0.04 1.46 1.40 3hahB1 LYS 144 HG3 0.04 0.01 0.05 -0.04 1.46 1.52 3hahB1 LYS 144 HD2 0.03 0.05 0.05 -0.04 1.69 1.78 3hahB1 LYS 144 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.61 3hahB1 LYS 144 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 3hahB1 LYS 144 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 3hahB1 PRO 145 HA 0.03 0.05 0.46 -0.51 4.44 4.47 3hahB1 PRO 145 HB2 0.11 0.03 0.05 -0.04 2.28 2.43 3hahB1 PRO 145 HB3 0.06 0.02 0.09 -0.04 2.02 2.14 3hahB1 PRO 145 HG2 0.09 0.08 0.07 -0.04 2.03 2.23 3hahB1 PRO 145 HG3 0.06 0.03 0.07 -0.04 2.03 2.15 3hahB1 PRO 145 HD2 0.13 0.21 -0.08 -0.04 3.68 3.90 3hahB1 PRO 145 HD3 0.08 0.21 0.15 -0.04 3.65 4.05 3hahB1 TRP 146 H 0.18 0.25 -0.18 -0.55 7.97 7.67 3hahB1 TRP 146 HA -0.17 -0.01 0.35 -0.75 4.62 4.04 3hahB1 TRP 146 HB2 -0.60 0.01 0.11 -0.04 3.23 2.70 3hahB1 TRP 146 HB3 -0.57 0.13 0.11 -0.04 3.23 2.86 3hahB1 TRP 146 HD1 -0.36 -0.01 -0.15 -0.04 7.22 6.66 3hahB1 TRP 146 HE1 -0.02 0.02 -0.01 -0.04 10.20 10.16 3hahB1 TRP 146 HE3 -0.13 -0.02 -0.06 -0.04 7.59 7.33 3hahB1 TRP 146 HZ2 0.05 -0.01 -0.02 -0.04 7.44 7.43 3hahB1 TRP 146 HZ3 0.00 0.23 0.05 -0.04 7.13 7.37 3hahB1 TRP 146 HH2 0.01 0.01 -0.01 -0.04 7.19 7.16 3hahB1 ALA 147 H 0.07 0.67 -0.21 -0.55 8.40 8.38 3hahB1 ALA 147 HA -0.10 -0.00 0.48 -0.75 4.34 3.97 3hahB1 ALA 147 HB3 0.05 0.02 0.07 -0.04 1.41 1.51 3hahB1 LYS 148 H -0.04 0.51 -0.07 -0.55 8.42 8.26 3hahB1 LYS 148 HA -0.05 0.00 0.48 -0.75 4.32 4.00 3hahB1 LYS 148 HB2 -0.02 0.08 0.19 -0.04 1.87 2.09 3hahB1 LYS 148 HB3 -0.04 0.08 0.27 -0.04 1.79 2.06 3hahB1 LYS 148 HG2 -0.04 -0.05 -0.10 -0.04 1.46 1.22 3hahB1 LYS 148 HG3 -0.03 -0.02 0.06 -0.04 1.46 1.43 3hahB1 LYS 148 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.63 3hahB1 LYS 148 HD3 -0.01 0.02 0.02 -0.04 1.68 1.68 3hahB1 LYS 148 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 3hahB1 LYS 148 HE3 -0.02 -0.03 -0.02 -0.04 2.99 2.88 3hahB1 LYS 149 H -0.14 0.70 0.09 -0.55 8.42 8.52 3hahB1 LYS 149 HA -0.14 -0.02 0.37 -0.75 4.32 3.78 3hahB1 LYS 149 HB2 -0.25 0.11 0.11 -0.04 1.87 1.79 3hahB1 LYS 149 HB3 -0.36 0.01 -0.04 -0.04 1.79 1.36 3hahB1 LYS 149 HG2 -0.12 -0.04 -0.05 -0.04 1.46 1.21 3hahB1 LYS 149 HG3 -0.11 -0.03 0.05 -0.04 1.46 1.33 3hahB1 LYS 149 HD2 -0.06 0.01 0.04 -0.04 1.69 1.63 3hahB1 LYS 149 HD3 -0.03 0.00 -0.06 -0.04 1.68 1.55 3hahB1 LYS 149 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 3hahB1 LYS 149 HE3 -0.03 -0.02 -0.03 -0.04 2.99 2.88 3hahB1 MET 150 H -0.42 0.54 -0.42 -0.55 8.47 7.62 3hahB1 MET 150 HA -0.38 -0.03 0.25 -0.75 4.52 3.61 3hahB1 MET 150 HB2 -0.67 0.37 0.25 -0.04 2.15 2.06 3hahB1 MET 150 HB3 -0.23 0.02 0.07 -0.04 2.03 1.84 3hahB1 MET 150 HG2 -0.19 -0.05 0.06 -0.04 2.63 2.41 3hahB1 MET 150 HG3 -0.20 -0.05 0.11 -0.04 2.56 2.39 3hahB1 MET 150 HE3 0.14 -0.01 0.00 -0.04 2.10 2.19 3hahB1 LYS 151 H -0.14 0.59 -0.29 -0.55 8.42 8.02 3hahB1 LYS 151 HA -0.07 0.09 0.91 -0.75 4.32 4.49 3hahB1 LYS 151 HB2 -0.04 -0.07 0.15 -0.04 1.87 1.86 3hahB1 LYS 151 HB3 -0.06 0.11 0.16 -0.04 1.79 1.96 3hahB1 LYS 151 HG2 -0.06 0.32 0.26 -0.04 1.46 1.95 3hahB1 LYS 151 HG3 -0.05 -0.07 -0.19 -0.04 1.46 1.11 3hahB1 LYS 151 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.62 3hahB1 LYS 151 HD3 -0.02 -0.05 0.01 -0.04 1.68 1.57 3hahB1 LYS 151 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.93 3hahB1 LYS 151 HE3 -0.03 0.07 0.01 -0.04 2.99 3.00 3hahB1 GLU 152 H -0.09 0.60 0.14 -0.55 8.60 8.70 3hahB1 GLU 152 HA -0.04 -0.02 0.51 -0.75 4.29 3.99 3hahB1 GLU 152 HB2 -0.09 0.12 0.18 -0.04 2.09 2.27 3hahB1 GLU 152 HB3 -0.05 -0.06 0.12 -0.04 1.99 1.96 3hahB1 GLU 152 HG2 -0.04 -0.04 0.06 -0.04 2.34 2.28 3hahB1 GLU 152 HG3 -0.05 0.09 0.04 -0.04 2.34 2.38 3hahB1 LEU 153 H -0.11 0.29 -0.58 -0.55 8.37 7.43 3hahB1 LEU 153 HA -0.02 0.07 0.67 -0.75 4.35 4.32 3hahB1 LEU 153 HB2 -0.14 0.00 -0.07 -0.04 1.64 1.39 3hahB1 LEU 153 HB3 -0.14 0.11 -0.02 -0.04 1.64 1.56 3hahB1 LEU 153 HG 0.03 -0.05 0.02 -0.04 1.64 1.60 3hahB1 LEU 153 HD13 -0.15 -0.01 -0.12 -0.04 0.93 0.61 3hahB1 LEU 153 HD23 -0.03 0.01 -0.18 -0.04 0.89 0.64 3hahB1 GLU 154 H -0.06 0.22 -0.27 -0.55 8.60 7.95 3hahB1 GLU 154 HA -0.03 0.06 0.55 -0.75 4.29 4.12 3hahB1 GLU 154 HB2 -0.04 0.12 0.28 -0.04 2.09 2.40 3hahB1 GLU 154 HB3 -0.03 0.14 0.30 -0.04 1.99 2.35 3hahB1 GLU 154 HG2 -0.02 0.00 0.06 -0.04 2.34 2.34 3hahB1 GLU 154 HG3 -0.02 -0.05 -0.14 -0.04 2.34 2.09 3hahB1 ALA 155 H -0.02 0.50 -0.01 -0.55 8.40 8.32 3hahB1 ALA 155 HA -0.02 0.03 0.44 -0.75 4.34 4.04 3hahB1 ALA 155 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 3hahB1 ALA 156 H 0.01 0.38 -0.17 -0.55 8.40 8.08 3hahB1 ALA 156 HA 0.03 -0.02 0.21 -0.75 4.34 3.81 3hahB1 ALA 156 HB3 0.08 0.02 0.08 -0.04 1.41 1.55 3hahB1 LYS 157 H -0.03 0.22 -1.04 -0.55 8.42 7.02 3hahB1 LYS 157 HA -0.74 0.09 0.83 -0.75 4.32 3.75 3hahB1 LYS 157 HB2 -0.01 0.21 0.12 -0.04 1.87 2.14 3hahB1 LYS 157 HB3 -0.15 0.11 0.16 -0.04 1.79 1.87 3hahB1 LYS 157 HG2 -0.80 -0.11 0.01 -0.04 1.46 0.53 3hahB1 LYS 157 HG3 -0.52 -0.01 0.05 -0.04 1.46 0.93 3hahB1 LYS 157 HD2 -0.08 0.06 0.03 -0.04 1.69 1.66 3hahB1 LYS 157 HD3 -0.21 -0.03 -0.02 -0.04 1.68 1.38 3hahB1 LYS 157 HE2 0.03 0.01 -0.00 -0.04 2.99 2.99 3hahB1 LYS 157 HE3 -0.02 -0.01 0.00 -0.04 2.99 2.91 3hahB1 LYS 158 H -0.07 0.59 0.23 -0.55 8.42 8.61 3hahB1 LYS 158 HA -0.03 0.02 0.50 -0.75 4.32 4.05 3hahB1 LYS 158 HB2 -0.03 0.20 0.27 -0.04 1.87 2.27 3hahB1 LYS 158 HB3 -0.02 -0.05 0.19 -0.04 1.79 1.87 3hahB1 LYS 158 HG2 -0.01 -0.02 -0.00 -0.04 1.46 1.39 3hahB1 LYS 158 HG3 -0.00 -0.04 0.05 -0.04 1.46 1.42 3hahB1 LYS 158 HD2 -0.01 -0.00 0.04 -0.04 1.69 1.68 3hahB1 LYS 158 HD3 -0.01 0.03 0.03 -0.04 1.68 1.68 3hahB1 LYS 158 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 3hahB1 LYS 158 HE3 0.00 -0.00 0.00 -0.04 2.99 2.95 3hahB1 ALA 159 H -0.01 0.65 0.10 -0.55 8.40 8.58 3hahB1 ALA 159 HA -0.00 0.03 0.36 -0.75 4.34 3.97 3hahB1 ALA 159 HB3 0.02 0.01 0.00 -0.04 1.41 1.39 3hahB1 TYR 160 H 0.03 0.19 -1.02 -0.55 8.29 6.94 3hahB1 TYR 160 HA -0.03 0.05 0.69 -0.75 4.56 4.51 3hahB1 TYR 160 HB2 -0.12 0.10 -0.04 -0.04 3.06 2.96 3hahB1 TYR 160 HB3 -0.38 0.16 0.19 -0.04 2.98 2.91 3hahB1 TYR 160 HD2 -0.10 -0.04 -0.09 -0.04 7.15 6.88 3hahB1 TYR 160 HE2 0.09 0.04 0.01 -0.04 6.85 6.95 3hahB1 HIS 161 H 0.04 0.96 0.25 -0.55 8.41 9.12 3hahB1 HIS 161 HA -0.29 -0.00 0.53 -0.75 4.63 4.11 3hahB1 HIS 161 HB2 -0.06 0.14 0.22 -0.04 3.26 3.52 3hahB1 HIS 161 HB3 -0.07 -0.04 0.08 -0.04 3.20 3.12 3hahB1 HIS 161 HD2 -0.02 -0.01 0.02 -0.04 6.97 6.91 3hahB1 HIS 161 HE1 0.14 -0.01 0.01 -0.04 7.75 7.84 3hahB1 LEU 162 H -0.03 0.36 -0.54 -0.55 8.37 7.61 3hahB1 LEU 162 HA -0.04 0.10 0.61 -0.75 4.35 4.27 3hahB1 LEU 162 HB2 -0.01 0.13 0.00 -0.04 1.64 1.72 3hahB1 LEU 162 HB3 -0.02 0.04 -0.02 -0.04 1.64 1.60 3hahB1 LEU 162 HG -0.03 -0.03 -0.07 -0.04 1.64 1.47 3hahB1 LEU 162 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.85 3hahB1 LEU 162 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 3hahB1 ALA 163 H -0.09 0.31 -0.17 -0.55 8.40 7.90 3hahB1 ALA 163 HA -0.06 0.05 0.55 -0.75 4.34 4.12 3hahB1 ALA 163 HB3 -0.05 0.02 0.09 -0.04 1.41 1.43 3hahB1 CYS 164 H -0.26 0.38 -0.35 -0.55 8.50 7.72 3hahB1 CYS 164 HA -0.19 0.08 0.62 -0.75 4.58 4.34 3hahB1 CYS 164 HB2 -0.36 0.06 0.16 -0.04 2.97 2.78 3hahB1 CYS 164 HB3 -0.24 0.00 -0.05 -0.04 2.97 2.64 3hahB1 LYS 165 H -0.14 0.41 -0.13 -0.55 8.42 8.01 3hahB1 LYS 165 HA -0.08 0.07 0.45 -0.75 4.32 4.00 3hahB1 LYS 165 HB2 -0.10 -0.02 0.12 -0.04 1.87 1.83 3hahB1 LYS 165 HB3 -0.08 0.17 0.19 -0.04 1.79 2.03 3hahB1 LYS 165 HG2 -0.05 -0.01 0.12 -0.04 1.46 1.48 3hahB1 LYS 165 HG3 -0.05 -0.02 0.05 -0.04 1.46 1.39 3hahB1 LYS 165 HD2 -0.04 0.03 -0.00 -0.04 1.69 1.64 3hahB1 LYS 165 HD3 -0.04 0.01 -0.21 -0.04 1.68 1.40 3hahB1 LYS 165 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 3hahB1 LYS 165 HE3 -0.03 -0.01 0.00 -0.04 2.99 2.91 3hahB1 GLU 166 H -0.08 0.09 -0.78 -0.55 8.60 7.29 3hahB1 GLU 166 HA -0.04 0.18 0.82 -0.75 4.29 4.50 3hahB1 GLU 166 HB2 -0.05 0.03 0.10 -0.04 2.09 2.13 3hahB1 GLU 166 HB3 -0.03 -0.08 0.00 -0.04 1.99 1.84 3hahB1 GLU 166 HG2 -0.04 0.29 -0.00 -0.04 2.34 2.55 3hahB1 GLU 166 HG3 -0.03 -0.08 -0.04 -0.04 2.34 2.15 3hahB1 GLU 167 H -0.06 0.35 -0.22 -0.55 8.60 8.11 3hahB1 GLU 167 HA -0.03 -0.00 0.53 -0.75 4.29 4.04 3hahB1 GLU 167 HB2 -0.03 0.09 -0.08 -0.04 2.09 2.03 3hahB1 GLU 167 HB3 -0.06 0.17 0.19 -0.04 1.99 2.24 3hahB1 GLU 167 HG2 -0.02 -0.05 -0.06 -0.04 2.34 2.17 3hahB1 GLU 167 HG3 -0.02 -0.08 -0.16 -0.04 2.34 2.04 3hahB1 LYS 168 H -0.05 0.38 -0.28 -0.55 8.42 7.91 3hahB1 LYS 168 HA -0.03 0.11 0.64 -0.75 4.32 4.28 3hahB1 LYS 168 HB2 -0.05 0.03 0.03 -0.04 1.87 1.84 3hahB1 LYS 168 HB3 -0.04 -0.02 0.15 -0.04 1.79 1.83 3hahB1 LYS 168 HG2 -0.06 0.22 0.01 -0.04 1.46 1.58 3hahB1 LYS 168 HG3 -0.05 -0.05 -0.02 -0.04 1.46 1.29 3hahB1 LYS 168 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.62 3hahB1 LYS 168 HD3 -0.03 0.01 -0.18 -0.04 1.68 1.44 3hahB1 LYS 168 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.88 3hahB1 LYS 168 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.87 3hahB1 LEU 169 H -0.03 0.07 -1.00 -0.55 8.37 6.87 3hahB1 LEU 169 HA -0.02 0.20 0.83 -0.75 4.35 4.60 3hahB1 LEU 169 HB2 -0.03 0.16 0.01 -0.04 1.64 1.74 3hahB1 LEU 169 HB3 -0.02 0.19 0.15 -0.04 1.64 1.92 3hahB1 LEU 169 HG -0.02 -0.03 0.04 -0.04 1.64 1.58 3hahB1 LEU 169 HD13 -0.01 -0.01 -0.20 -0.04 0.93 0.66 3hahB1 LEU 169 HD23 -0.02 0.00 0.06 -0.04 0.89 0.90 3hahB1 ALA 170 H -0.02 0.29 0.03 -0.55 8.40 8.15 3hahB1 ALA 170 HA -0.01 0.09 0.56 -0.75 4.34 4.22 3hahB1 ALA 170 HB3 -0.01 -0.01 0.25 -0.04 1.41 1.59 3hahB1 MET 171 H -0.02 -0.01 -1.25 -0.55 8.47 6.65 3hahB1 MET 171 HA -0.01 0.20 0.78 -0.75 4.52 4.74 3hahB1 MET 171 HB2 -0.02 0.01 -0.08 -0.04 2.15 2.03 3hahB1 MET 171 HB3 -0.01 -0.03 0.04 -0.04 2.03 2.00 3hahB1 MET 171 HG2 -0.01 0.01 0.06 -0.04 2.63 2.65 3hahB1 MET 171 HG3 -0.01 0.16 -0.27 -0.04 2.56 2.40 3hahB1 MET 171 HE3 -0.02 -0.01 0.00 -0.04 2.10 2.03 3hahB1 ASP 196 HA -0.00 0.04 0.28 -0.75 4.63 4.20 3hahB1 ASP 196 HB2 -0.00 -0.03 0.18 -0.04 2.71 2.82 3hahB1 ASP 196 HB3 -0.00 0.02 0.02 -0.04 2.70 2.70 3hahB1 LYS 197 H -0.00 0.24 0.16 -0.55 8.42 8.26 3hahB1 LYS 197 HA 0.00 0.05 0.52 -0.75 4.32 4.14 3hahB1 LYS 197 HB2 -0.00 0.05 0.07 -0.04 1.87 1.94 3hahB1 LYS 197 HB3 -0.00 0.01 0.14 -0.04 1.79 1.90 3hahB1 LYS 197 HG2 0.00 0.01 0.08 -0.04 1.46 1.51 3hahB1 LYS 197 HG3 -0.00 0.01 0.14 -0.04 1.46 1.56 3hahB1 LYS 197 HD2 -0.00 0.02 0.05 -0.04 1.69 1.72 3hahB1 LYS 197 HD3 -0.00 -0.00 0.04 -0.04 1.68 1.68 3hahB1 LYS 197 HE2 -0.00 -0.00 0.03 -0.04 2.99 2.98 3hahB1 LYS 197 HE3 -0.00 0.02 0.04 -0.04 2.99 3.00 3hahB1 CYS 198 H -0.01 0.22 -0.39 -0.55 8.50 7.78 3hahB1 CYS 198 HA -0.01 0.09 0.53 -0.75 4.58 4.43 3hahB1 CYS 198 HB2 -0.01 0.03 0.09 -0.04 2.97 3.05 3hahB1 CYS 198 HB3 -0.01 0.08 -0.03 -0.04 2.97 2.96 3hahB1 LYS 199 H -0.00 0.31 -0.10 -0.55 8.42 8.07 3hahB1 LYS 199 HA -0.00 0.09 0.54 -0.75 4.32 4.19 3hahB1 LYS 199 HB2 0.00 0.15 0.17 -0.04 1.87 2.15 3hahB1 LYS 199 HB3 0.01 -0.03 -0.00 -0.04 1.79 1.73 3hahB1 LYS 199 HG2 -0.00 -0.01 0.04 -0.04 1.46 1.44 3hahB1 LYS 199 HG3 -0.00 0.06 0.04 -0.04 1.46 1.52 3hahB1 LYS 199 HD2 0.00 -0.00 0.02 -0.04 1.69 1.67 3hahB1 LYS 199 HD3 0.01 -0.02 0.02 -0.04 1.68 1.64 3hahB1 LYS 199 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 3hahB1 LYS 199 HE3 -0.00 0.02 0.00 -0.04 2.99 2.97 3hahB1 GLN 200 H 0.00 0.32 -0.25 -0.55 8.47 8.00 3hahB1 GLN 200 HA 0.02 0.09 0.61 -0.75 4.36 4.33 3hahB1 GLN 200 HB2 0.01 0.02 0.09 -0.04 2.15 2.22 3hahB1 GLN 200 HB3 0.01 0.07 0.17 -0.04 2.02 2.23 3hahB1 GLN 200 HG2 0.01 0.03 -0.19 -0.04 2.40 2.20 3hahB1 GLN 200 HG3 0.01 -0.06 -0.02 -0.04 2.39 2.29 3hahB1 GLN 200 HE21 0.01 0.00 0.00 -0.04 6.97 6.94 3hahB1 GLN 200 HE22 0.01 0.01 0.01 -0.04 7.69 7.68 3hahB1 ASP 201 H 0.01 0.43 -0.15 -0.55 8.40 8.13 3hahB1 ASP 201 HA 0.02 0.02 0.45 -0.75 4.63 4.36 3hahB1 ASP 201 HB2 -0.00 0.14 0.20 -0.04 2.71 3.01 3hahB1 ASP 201 HB3 0.00 -0.04 0.11 -0.04 2.70 2.74 3hahB1 VAL 202 H 0.02 0.25 -0.58 -0.55 8.24 7.38 3hahB1 VAL 202 HA 0.04 0.06 0.63 -0.75 4.13 4.11 3hahB1 VAL 202 HB -0.01 0.17 0.13 -0.04 2.12 2.37 3hahB1 VAL 202 HG13 0.05 0.04 -0.17 -0.04 0.97 0.85 3hahB1 VAL 202 HG23 -0.10 -0.03 -0.14 -0.04 0.95 0.64 3hahB1 GLN 203 H 0.04 0.38 -0.18 -0.55 8.47 8.16 3hahB1 GLN 203 HA 0.08 0.07 0.63 -0.75 4.36 4.39 3hahB1 GLN 203 HB2 0.04 -0.04 0.12 -0.04 2.15 2.23 3hahB1 GLN 203 HB3 0.04 0.11 0.19 -0.04 2.02 2.31 3hahB1 GLN 203 HG2 0.03 0.44 0.18 -0.04 2.40 3.01 3hahB1 GLN 203 HG3 0.03 -0.08 -0.22 -0.04 2.39 2.08 3hahB1 GLN 203 HE21 0.01 -0.03 0.02 -0.04 6.97 6.93 3hahB1 GLN 203 HE22 0.02 -0.00 0.01 -0.04 7.69 7.68 3hahB1 LYS 204 H 0.05 0.26 -0.28 -0.55 8.42 7.90 3hahB1 LYS 204 HA 0.04 0.09 0.51 -0.75 4.32 4.20 3hahB1 LYS 204 HB2 0.04 0.09 0.12 -0.04 1.87 2.07 3hahB1 LYS 204 HB3 0.03 -0.03 0.04 -0.04 1.79 1.79 3hahB1 LYS 204 HG2 0.02 -0.03 0.00 -0.04 1.46 1.41 3hahB1 LYS 204 HG3 0.03 0.11 0.05 -0.04 1.46 1.61 3hahB1 LYS 204 HD2 0.02 -0.03 -0.45 -0.04 1.69 1.19 3hahB1 LYS 204 HD3 0.02 -0.02 0.05 -0.04 1.68 1.68 3hahB1 LYS 204 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 3hahB1 LYS 204 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 3hahB1 THR 205 H 0.09 0.42 -0.07 -0.55 8.28 8.18 3hahB1 THR 205 HA 0.09 0.03 0.49 -0.75 4.39 4.25 3hahB1 THR 205 HB 0.19 -0.06 -0.13 -0.04 4.32 4.28 3hahB1 THR 205 HG23 0.05 0.10 0.08 -0.04 1.22 1.41 3hahB1 GLN 206 H 0.25 0.46 -0.16 -0.55 8.47 8.47 3hahB1 GLN 206 HA -0.28 0.03 0.48 -0.75 4.36 3.84 3hahB1 GLN 206 HB2 0.45 0.03 0.15 -0.04 2.15 2.75 3hahB1 GLN 206 HB3 0.14 0.09 0.17 -0.04 2.02 2.38 3hahB1 GLN 206 HG2 0.02 0.00 -0.23 -0.04 2.40 2.15 3hahB1 GLN 206 HG3 -0.10 -0.06 0.03 -0.04 2.39 2.22 3hahB1 GLN 206 HE21 0.07 -0.01 -0.01 -0.04 6.97 6.98 3hahB1 GLN 206 HE22 0.04 -0.01 -0.04 -0.04 7.69 7.64 3hahB1 GLU 207 H 0.05 0.31 -0.50 -0.55 8.60 7.92 3hahB1 GLU 207 HA -0.00 0.02 0.38 -0.75 4.29 3.93 3hahB1 GLU 207 HB2 0.02 0.27 0.20 -0.04 2.09 2.54 3hahB1 GLU 207 HB3 0.02 0.06 0.13 -0.04 1.99 2.16 3hahB1 GLU 207 HG2 0.00 -0.03 -0.07 -0.04 2.34 2.20 3hahB1 GLU 207 HG3 -0.00 -0.04 0.05 -0.04 2.34 2.31 3hahB1 LYS 208 H 0.04 0.45 -0.10 -0.55 8.42 8.25 3hahB1 LYS 208 HA -0.00 0.00 0.46 -0.75 4.32 4.03 3hahB1 LYS 208 HB2 0.04 0.12 0.24 -0.04 1.87 2.23 3hahB1 LYS 208 HB3 0.03 -0.04 0.03 -0.04 1.79 1.77 3hahB1 LYS 208 HG2 0.02 -0.01 0.05 -0.04 1.46 1.47 3hahB1 LYS 208 HG3 0.01 -0.04 0.06 -0.04 1.46 1.44 3hahB1 LYS 208 HD2 0.01 -0.05 -0.03 -0.04 1.69 1.57 3hahB1 LYS 208 HD3 0.02 0.21 0.10 -0.04 1.68 1.97 3hahB1 LYS 208 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 3hahB1 LYS 208 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 3hahB1 TYR 209 H 0.10 0.70 0.01 -0.55 8.29 8.56 3hahB1 TYR 209 HA -0.09 -0.07 0.37 -0.75 4.56 4.01 3hahB1 TYR 209 HB2 -0.15 0.29 0.22 -0.04 3.06 3.39 3hahB1 TYR 209 HB3 -0.30 0.07 0.21 -0.04 2.98 2.92 3hahB1 TYR 209 HD2 -0.33 -0.03 -0.13 -0.04 7.15 6.62 3hahB1 TYR 209 HE2 -0.15 0.01 -0.02 -0.04 6.85 6.65 3hahB1 GLU 210 H -0.08 0.61 -0.25 -0.55 8.60 8.33 3hahB1 GLU 210 HA -0.37 -0.02 0.40 -0.75 4.29 3.54 3hahB1 GLU 210 HB2 -0.08 0.15 0.13 -0.04 2.09 2.25 3hahB1 GLU 210 HB3 -0.11 -0.07 0.04 -0.04 1.99 1.81 3hahB1 GLU 210 HG2 -0.14 -0.06 0.03 -0.04 2.34 2.13 3hahB1 GLU 210 HG3 -0.14 0.02 0.06 -0.04 2.34 2.24 3hahB1 LYS 211 H -0.08 0.53 -0.17 -0.55 8.42 8.14 3hahB1 LYS 211 HA -0.07 0.01 0.59 -0.75 4.32 4.10 3hahB1 LYS 211 HB2 -0.04 0.19 0.29 -0.04 1.87 2.28 3hahB1 LYS 211 HB3 -0.04 -0.07 0.02 -0.04 1.79 1.66 3hahB1 LYS 211 HG2 -0.03 -0.06 0.07 -0.04 1.46 1.40 3hahB1 LYS 211 HG3 -0.03 -0.00 0.07 -0.04 1.46 1.45 3hahB1 LYS 211 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 3hahB1 LYS 211 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 3hahB1 LYS 211 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.87 3hahB1 LYS 211 HE3 -0.02 0.34 -0.16 -0.04 2.99 3.11 3hahB1 VAL 212 H -0.10 0.56 -0.07 -0.55 8.24 8.08 3hahB1 VAL 212 HA -0.08 -0.02 0.45 -0.75 4.13 3.72 3hahB1 VAL 212 HB -0.11 0.18 0.15 -0.04 2.12 2.30 3hahB1 VAL 212 HG13 -0.11 -0.03 -0.22 -0.04 0.97 0.57 3hahB1 VAL 212 HG23 -0.04 0.05 0.01 -0.04 0.95 0.92 3hahB1 LEU 213 H -0.27 0.52 -0.04 -0.55 8.37 8.03 3hahB1 LEU 213 HA -0.17 -0.01 0.48 -0.75 4.35 3.90 3hahB1 LEU 213 HB2 -0.31 0.12 0.16 -0.04 1.64 1.58 3hahB1 LEU 213 HB3 -0.17 -0.01 -0.07 -0.04 1.64 1.35 3hahB1 LEU 213 HG -0.36 -0.00 0.01 -0.04 1.64 1.24 3hahB1 LEU 213 HD13 -0.12 -0.02 0.01 -0.04 0.93 0.76 3hahB1 LEU 213 HD23 -0.64 0.02 -0.02 -0.04 0.89 0.22 3hahB1 GLU 214 H -0.11 0.40 -0.42 -0.55 8.60 7.92 3hahB1 GLU 214 HA -0.05 0.00 0.44 -0.75 4.29 3.92 3hahB1 GLU 214 HB2 -0.06 0.22 0.29 -0.04 2.09 2.51 3hahB1 GLU 214 HB3 -0.04 -0.08 0.04 -0.04 1.99 1.87 3hahB1 GLU 214 HG2 -0.04 -0.06 0.06 -0.04 2.34 2.26 3hahB1 GLU 214 HG3 -0.07 0.16 0.09 -0.04 2.34 2.49 3hahB1 ASP 215 H -0.06 0.49 -0.04 -0.55 8.40 8.24 3hahB1 ASP 215 HA -0.02 -0.00 0.40 -0.75 4.63 4.26 3hahB1 ASP 215 HB2 -0.07 0.09 0.25 -0.04 2.71 2.94 3hahB1 ASP 215 HB3 -0.04 -0.08 0.04 -0.04 2.70 2.59 3hahB1 VAL 216 H -0.09 0.64 0.06 -0.55 8.24 8.30 3hahB1 VAL 216 HA -0.04 -0.07 0.25 -0.75 4.13 3.52 3hahB1 VAL 216 HB -0.35 -0.05 0.04 -0.04 2.12 1.72 3hahB1 VAL 216 HG13 -0.25 0.10 -0.01 -0.04 0.97 0.78 3hahB1 VAL 216 HG23 -0.06 0.05 -0.09 -0.04 0.95 0.81 3hahB1 GLY 217 H -0.00 0.42 -0.68 -0.55 8.43 7.62 3hahB1 GLY 217 HA2 0.08 -0.03 0.48 -0.51 4.01 4.03 3hahB1 GLY 217 HA3 0.02 0.09 0.33 -0.51 4.01 3.94 3hahB1 LYS 218 H 0.02 0.54 0.17 -0.55 8.42 8.60 3hahB1 LYS 218 HA 0.03 0.00 0.48 -0.75 4.32 4.07 3hahB1 LYS 218 HB2 0.02 0.01 0.21 -0.04 1.87 2.06 3hahB1 LYS 218 HB3 0.02 -0.08 0.10 -0.04 1.79 1.79 3hahB1 LYS 218 HG2 0.01 -0.07 0.07 -0.04 1.46 1.43 3hahB1 LYS 218 HG3 0.00 0.46 0.19 -0.04 1.46 2.08 3hahB1 LYS 218 HD2 -0.00 -0.04 -0.03 -0.04 1.69 1.58 3hahB1 LYS 218 HD3 0.00 -0.05 0.02 -0.04 1.68 1.62 3hahB1 LYS 218 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.93 3hahB1 LYS 218 HE3 -0.01 0.05 0.01 -0.04 2.99 3.00 3hahB1 THR 219 H 0.09 0.63 -0.08 -0.55 8.28 8.37 3hahB1 THR 219 HA 0.11 0.03 0.51 -0.75 4.39 4.28 3hahB1 THR 219 HB 0.11 -0.04 0.03 -0.04 4.32 4.37 3hahB1 THR 219 HG23 0.08 0.05 -0.16 -0.04 1.22 1.15 3hahB1 THR 220 H 0.19 0.41 -0.47 -0.55 8.28 7.85 3hahB1 THR 220 HA 0.22 -0.08 0.28 -0.75 4.39 4.06 3hahB1 THR 220 HB 0.23 0.35 0.36 -0.04 4.32 5.21 3hahB1 THR 220 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.07 3hahB1 PRO 221 HA -0.09 0.05 0.56 -0.51 4.44 4.45 3hahB1 PRO 221 HB2 0.01 0.02 0.07 -0.04 2.28 2.34 3hahB1 PRO 221 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 3hahB1 PRO 221 HG2 0.00 0.06 0.10 -0.04 2.03 2.15 3hahB1 PRO 221 HG3 -0.02 -0.01 0.06 -0.04 2.03 2.02 3hahB1 PRO 221 HD2 0.05 0.39 -0.11 -0.04 3.68 3.97 3hahB1 PRO 221 HD3 0.04 0.37 0.13 -0.04 3.65 4.16 3hahB1 GLN 222 H 0.06 0.33 -0.07 -0.55 8.47 8.24 3hahB1 GLN 222 HA 0.04 0.02 0.44 -0.75 4.36 4.11 3hahB1 GLN 222 HB2 0.06 0.03 0.14 -0.04 2.15 2.33 3hahB1 GLN 222 HB3 0.10 0.10 0.12 -0.04 2.02 2.30 3hahB1 GLN 222 HG2 0.07 0.01 0.01 -0.04 2.40 2.45 3hahB1 GLN 222 HG3 0.08 -0.04 -0.02 -0.04 2.39 2.37 3hahB1 GLN 222 HE21 0.03 0.00 0.02 -0.04 6.97 6.98 3hahB1 GLN 222 HE22 0.04 0.01 0.02 -0.04 7.69 7.72 3hahB1 TYR 223 H 0.16 0.47 -0.18 -0.55 8.29 8.19 3hahB1 TYR 223 HA 0.04 0.10 0.53 -0.75 4.56 4.47 3hahB1 TYR 223 HB2 0.07 -0.04 0.12 -0.04 3.06 3.17 3hahB1 TYR 223 HB3 -0.27 0.20 0.17 -0.04 2.98 3.04 3hahB1 TYR 223 HD2 -0.80 0.11 0.05 -0.04 7.15 6.47 3hahB1 TYR 223 HE2 -0.52 -0.01 -0.04 -0.04 6.85 6.24 3hahB1 MET 224 H -0.18 0.49 -0.09 -0.55 8.47 8.14 3hahB1 MET 224 HA -0.09 -0.03 0.36 -0.75 4.52 4.01 3hahB1 MET 224 HB2 -0.23 0.13 0.18 -0.04 2.15 2.19 3hahB1 MET 224 HB3 -0.34 -0.07 0.07 -0.04 2.03 1.65 3hahB1 MET 224 HG2 -1.24 -0.08 0.05 -0.04 2.63 1.32 3hahB1 MET 224 HG3 -0.48 0.41 0.18 -0.04 2.56 2.63 3hahB1 MET 224 HE3 -0.24 -0.00 0.02 -0.04 2.10 1.83 3hahB1 GLU 225 H -0.02 0.53 -0.12 -0.55 8.60 8.45 3hahB1 GLU 225 HA 0.04 -0.01 0.45 -0.75 4.29 4.01 3hahB1 GLU 225 HB2 0.01 0.03 0.14 -0.04 2.09 2.23 3hahB1 GLU 225 HB3 0.03 0.13 0.23 -0.04 1.99 2.34 3hahB1 GLU 225 HG2 0.03 0.00 -0.09 -0.04 2.34 2.24 3hahB1 GLU 225 HG3 0.03 -0.04 0.05 -0.04 2.34 2.33 3hahB1 ASN 226 H 0.06 0.72 -0.07 -0.55 8.53 8.69 3hahB1 ASN 226 HA 0.06 -0.03 0.37 -0.75 4.76 4.40 3hahB1 ASN 226 HB2 0.14 0.19 0.35 -0.04 2.88 3.51 3hahB1 ASN 226 HB3 0.11 -0.12 0.11 -0.04 2.79 2.85 3hahB1 ASN 226 HD21 0.08 -0.08 0.02 -0.04 7.03 7.02 3hahB1 ASN 226 HD22 0.14 0.11 0.10 -0.04 7.74 8.05 3hahB1 MET 227 H 0.07 0.72 0.04 -0.55 8.47 8.74 3hahB1 MET 227 HA 0.23 -0.02 0.51 -0.75 4.52 4.48 3hahB1 MET 227 HB2 0.10 0.08 0.09 -0.04 2.15 2.38 3hahB1 MET 227 HB3 0.09 -0.09 0.03 -0.04 2.03 2.02 3hahB1 MET 227 HG2 0.02 0.14 0.04 -0.04 2.63 2.79 3hahB1 MET 227 HG3 -0.41 -0.00 -0.05 -0.04 2.56 2.05 3hahB1 MET 227 HE3 -0.48 -0.03 -0.02 -0.04 2.10 1.53 3hahB1 GLU 228 H 0.17 0.70 -0.13 -0.55 8.60 8.79 3hahB1 GLU 228 HA 0.12 -0.07 0.42 -0.75 4.29 4.01 3hahB1 GLU 228 HB2 0.15 0.31 0.22 -0.04 2.09 2.73 3hahB1 GLU 228 HB3 0.09 0.12 0.12 -0.04 1.99 2.27 3hahB1 GLU 228 HG2 0.07 -0.01 0.01 -0.04 2.34 2.38 3hahB1 GLU 228 HG3 0.09 -0.07 0.04 -0.04 2.34 2.36 3hahB1 GLN 229 H 0.09 0.44 -0.46 -0.55 8.47 7.99 3hahB1 GLN 229 HA 0.04 0.00 0.32 -0.75 4.36 3.97 3hahB1 GLN 229 HB2 0.04 0.16 0.15 -0.04 2.15 2.46 3hahB1 GLN 229 HB3 0.01 0.14 0.18 -0.04 2.02 2.31 3hahB1 GLN 229 HG2 -0.01 -0.05 -0.05 -0.04 2.40 2.25 3hahB1 GLN 229 HG3 0.01 -0.04 0.04 -0.04 2.39 2.37 3hahB1 GLN 229 HE21 -0.00 -0.02 0.00 -0.04 6.97 6.91 3hahB1 GLN 229 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 3hahB1 VAL 230 H 0.02 0.39 -0.02 -0.55 8.24 8.08 3hahB1 VAL 230 HA -0.18 0.06 0.48 -0.75 4.13 3.74 3hahB1 VAL 230 HB -0.54 0.04 0.13 -0.04 2.12 1.71 3hahB1 VAL 230 HG13 -0.95 -0.02 -0.02 -0.04 0.97 -0.06 3hahB1 VAL 230 HG23 -0.16 0.10 -0.05 -0.04 0.95 0.80 3hahB1 PHE 231 H 0.32 0.70 0.02 -0.55 8.34 8.82 3hahB1 PHE 231 HA 0.27 -0.02 0.43 -0.75 4.62 4.54 3hahB1 PHE 231 HB2 0.23 0.03 0.12 -0.04 3.15 3.48 3hahB1 PHE 231 HB3 0.02 0.14 0.13 -0.04 3.06 3.31 3hahB1 PHE 231 HD2 0.02 0.03 -0.05 -0.04 7.28 7.24 3hahB1 PHE 231 HE2 -0.09 -0.01 -0.01 -0.04 7.38 7.23 3hahB1 PHE 231 HZ -0.11 0.01 -0.01 -0.04 7.32 7.17 3hahB1 GLU 232 H 0.14 0.58 -0.29 -0.55 8.60 8.47 3hahB1 GLU 232 HA -0.03 -0.04 0.39 -0.75 4.29 3.85 3hahB1 GLU 232 HB2 0.10 0.02 0.14 -0.04 2.09 2.31 3hahB1 GLU 232 HB3 0.04 0.18 0.15 -0.04 1.99 2.32 3hahB1 GLU 232 HG2 0.03 0.01 0.02 -0.04 2.34 2.35 3hahB1 GLU 232 HG3 0.00 -0.01 -0.10 -0.04 2.34 2.20 3hahB1 GLN 233 H -0.06 0.41 -0.42 -0.55 8.47 7.85 3hahB1 GLN 233 HA -0.04 0.05 0.60 -0.75 4.36 4.21 3hahB1 GLN 233 HB2 -0.08 0.17 0.24 -0.04 2.15 2.43 3hahB1 GLN 233 HB3 -0.12 -0.01 0.07 -0.04 2.02 1.92 3hahB1 GLN 233 HG2 -0.07 -0.01 0.04 -0.04 2.40 2.32 3hahB1 GLN 233 HG3 -0.06 -0.04 0.07 -0.04 2.39 2.31 3hahB1 GLN 233 HE21 -0.02 -0.00 0.02 -0.04 6.97 6.93 3hahB1 GLN 233 HE22 -0.03 -0.02 0.03 -0.04 7.69 7.64 3hahB1 CYS 234 H -0.14 0.45 -0.04 -0.55 8.50 8.23 3hahB1 CYS 234 HA -0.05 0.01 0.57 -0.75 4.58 4.37 3hahB1 CYS 234 HB2 -0.26 0.27 0.26 -0.04 2.97 3.19 3hahB1 CYS 234 HB3 -0.09 -0.04 0.04 -0.04 2.97 2.84 3hahB1 GLN 235 H -0.28 0.49 -0.06 -0.55 8.47 8.07 3hahB1 GLN 235 HA -0.15 0.03 0.55 -0.75 4.36 4.03 3hahB1 GLN 235 HB2 -0.11 0.12 0.13 -0.04 2.15 2.26 3hahB1 GLN 235 HB3 -0.08 -0.04 0.02 -0.04 2.02 1.88 3hahB1 GLN 235 HG2 -0.79 0.22 0.04 -0.04 2.40 1.82 3hahB1 GLN 235 HG3 -0.12 -0.01 -0.00 -0.04 2.39 2.22 3hahB1 GLN 235 HE21 0.09 -0.02 -0.01 -0.04 6.97 7.00 3hahB1 GLN 235 HE22 0.13 0.02 -0.01 -0.04 7.69 7.79 3hahB1 GLN 236 H -0.04 0.46 -0.19 -0.55 8.47 8.16 3hahB1 GLN 236 HA 0.00 -0.00 0.35 -0.75 4.36 3.96 3hahB1 GLN 236 HB2 0.01 0.17 0.20 -0.04 2.15 2.49 3hahB1 GLN 236 HB3 0.03 -0.03 0.05 -0.04 2.02 2.03 3hahB1 GLN 236 HG2 0.00 -0.06 0.08 -0.04 2.40 2.38 3hahB1 GLN 236 HG3 -0.01 0.10 0.15 -0.04 2.39 2.59 3hahB1 GLN 236 HE21 -0.00 -0.03 -0.00 -0.04 6.97 6.90 3hahB1 GLN 236 HE22 0.00 -0.01 0.02 -0.04 7.69 7.67 3hahB1 PHE 237 H 0.13 0.29 -0.43 -0.55 8.34 7.77 3hahB1 PHE 237 HA -0.03 0.08 0.55 -0.75 4.62 4.47 3hahB1 PHE 237 HB2 -0.08 0.07 0.13 -0.04 3.15 3.23 3hahB1 PHE 237 HB3 -0.07 0.08 0.16 -0.04 3.06 3.19 3hahB1 PHE 237 HD2 -0.10 0.01 -0.03 -0.04 7.28 7.13 3hahB1 PHE 237 HE2 -0.36 0.04 0.02 -0.04 7.38 7.05 3hahB1 PHE 237 HZ -1.12 0.09 -0.07 -0.04 7.32 6.19 3hahB1 GLU 238 H 0.10 0.55 0.02 -0.55 8.60 8.72 3hahB1 GLU 238 HA -0.00 0.03 0.59 -0.75 4.29 4.16 3hahB1 GLU 238 HB2 0.06 0.03 0.15 -0.04 2.09 2.29 3hahB1 GLU 238 HB3 -0.01 0.11 0.24 -0.04 1.99 2.29 3hahB1 GLU 238 HG2 0.00 -0.00 -0.01 -0.04 2.34 2.29 3hahB1 GLU 238 HG3 -0.00 -0.07 -0.20 -0.04 2.34 2.03 3hahB1 GLU 239 H -0.00 0.77 -0.14 -0.55 8.60 8.67 3hahB1 GLU 239 HA -0.01 -0.02 0.50 -0.75 4.29 4.00 3hahB1 GLU 239 HB2 -0.01 -0.02 0.06 -0.04 2.09 2.08 3hahB1 GLU 239 HB3 0.00 0.15 0.10 -0.04 1.99 2.19 3hahB1 GLU 239 HG2 0.01 0.05 -0.21 -0.04 2.34 2.15 3hahB1 GLU 239 HG3 -0.00 -0.12 0.04 -0.04 2.34 2.22 3hahB1 LYS 240 H -0.03 0.35 -0.37 -0.55 8.42 7.81 3hahB1 LYS 240 HA 0.06 0.01 0.35 -0.75 4.32 3.98 3hahB1 LYS 240 HB2 -0.12 0.23 0.20 -0.04 1.87 2.14 3hahB1 LYS 240 HB3 0.11 -0.05 0.05 -0.04 1.79 1.86 3hahB1 LYS 240 HG2 0.03 -0.07 0.07 -0.04 1.46 1.46 3hahB1 LYS 240 HG3 0.01 0.31 0.19 -0.04 1.46 1.92 3hahB1 LYS 240 HD2 -0.00 -0.00 0.06 -0.04 1.69 1.71 3hahB1 LYS 240 HD3 -0.02 -0.03 0.04 -0.04 1.68 1.64 3hahB1 LYS 240 HE2 0.02 -0.03 0.02 -0.04 2.99 2.95 3hahB1 LYS 240 HE3 0.03 0.02 -0.00 -0.04 2.99 3.00 3hahB1 ARG 241 H -0.02 0.25 -0.57 -0.55 8.46 7.57 3hahB1 ARG 241 HA -0.18 0.09 0.45 -0.75 4.34 3.94 3hahB1 ARG 241 HB2 0.15 0.06 0.09 -0.04 1.90 2.15 3hahB1 ARG 241 HB3 -0.00 0.12 0.23 -0.04 1.80 2.11 3hahB1 ARG 241 HG2 -0.12 -0.05 -0.26 -0.04 1.67 1.20 3hahB1 ARG 241 HG3 -0.16 0.00 -0.02 -0.04 1.67 1.46 3hahB1 ARG 241 HD2 0.26 -0.02 0.01 -0.04 3.22 3.42 3hahB1 ARG 241 HD3 0.08 0.02 0.06 -0.04 3.22 3.34 3hahB1 LEU 242 H -0.04 0.64 0.15 -0.55 8.37 8.57 3hahB1 LEU 242 HA -0.09 0.00 0.47 -0.75 4.35 3.98 3hahB1 LEU 242 HB2 -0.03 0.05 0.17 -0.04 1.64 1.78 3hahB1 LEU 242 HB3 -0.05 -0.04 0.05 -0.04 1.64 1.57 3hahB1 LEU 242 HG -0.02 0.26 0.14 -0.04 1.64 1.98 3hahB1 LEU 242 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.85 3hahB1 LEU 242 HD23 -0.03 -0.02 0.03 -0.04 0.89 0.82 3hahB1 VAL 243 H -0.02 0.62 -0.15 -0.55 8.24 8.14 3hahB1 VAL 243 HA -0.04 -0.02 0.37 -0.75 4.13 3.69 3hahB1 VAL 243 HB 0.02 0.20 0.11 -0.04 2.12 2.41 3hahB1 VAL 243 HG13 0.03 -0.01 -0.19 -0.04 0.97 0.76 3hahB1 VAL 243 HG23 -0.00 -0.02 0.05 -0.04 0.95 0.93 3hahB1 PHE 244 H 0.00 0.38 -0.39 -0.55 8.34 7.78 3hahB1 PHE 244 HA -0.19 0.00 0.49 -0.75 4.62 4.17 3hahB1 PHE 244 HB2 -0.32 0.04 0.16 -0.04 3.15 2.99 3hahB1 PHE 244 HB3 -0.76 0.18 0.23 -0.04 3.06 2.68 3hahB1 PHE 244 HD2 -0.82 0.02 -0.01 -0.04 7.28 6.43 3hahB1 PHE 244 HE2 -0.27 -0.01 -0.02 -0.04 7.38 7.05 3hahB1 PHE 244 HZ -0.06 -0.01 -0.32 -0.04 7.32 6.88 3hahB1 LEU 245 H -0.23 0.49 -0.20 -0.55 8.37 7.89 3hahB1 LEU 245 HA -0.52 0.00 0.45 -0.75 4.35 3.52 3hahB1 LEU 245 HB2 -0.20 0.13 0.19 -0.04 1.64 1.71 3hahB1 LEU 245 HB3 -0.17 0.01 0.15 -0.04 1.64 1.59 3hahB1 LEU 245 HG -0.19 0.00 -0.00 -0.04 1.64 1.41 3hahB1 LEU 245 HD13 -0.10 -0.01 -0.02 -0.04 0.93 0.75 3hahB1 LEU 245 HD23 -0.21 -0.02 -0.01 -0.04 0.89 0.61 3hahB1 LYS 246 H -0.17 0.70 0.04 -0.55 8.42 8.44 3hahB1 LYS 246 HA -0.14 -0.02 0.38 -0.75 4.32 3.78 3hahB1 LYS 246 HB2 -0.09 -0.03 0.11 -0.04 1.87 1.81 3hahB1 LYS 246 HB3 -0.10 0.16 0.17 -0.04 1.79 1.98 3hahB1 LYS 246 HG2 -0.08 0.03 -0.15 -0.04 1.46 1.23 3hahB1 LYS 246 HG3 -0.08 -0.07 0.01 -0.04 1.46 1.27 3hahB1 LYS 246 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.58 3hahB1 LYS 246 HD3 -0.05 0.01 0.00 -0.04 1.68 1.60 3hahB1 LYS 246 HE2 -0.04 0.01 -0.02 -0.04 2.99 2.90 3hahB1 LYS 246 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.87 3hahB1 GLU 247 H -0.21 0.44 -0.33 -0.55 8.60 7.96 3hahB1 GLU 247 HA -0.13 0.00 0.44 -0.75 4.29 3.85 3hahB1 GLU 247 HB2 -0.08 0.04 0.13 -0.04 2.09 2.14 3hahB1 GLU 247 HB3 -0.21 0.12 0.19 -0.04 1.99 2.05 3hahB1 GLU 247 HG2 -0.10 0.00 -0.16 -0.04 2.34 2.05 3hahB1 GLU 247 HG3 -0.07 -0.05 0.03 -0.04 2.34 2.20 3hahB1 VAL 248 H -0.55 0.65 -0.01 -0.55 8.24 7.78 3hahB1 VAL 248 HA -0.27 0.00 0.46 -0.75 4.13 3.57 3hahB1 VAL 248 HB -0.69 0.14 0.22 -0.04 2.12 1.75 3hahB1 VAL 248 HG13 -0.24 -0.03 -0.07 -0.04 0.97 0.60 3hahB1 VAL 248 HG23 -0.67 -0.01 0.06 -0.04 0.95 0.29 3hahB1 LEU 249 H -0.24 0.53 -0.34 -0.55 8.37 7.78 3hahB1 LEU 249 HA -0.15 0.01 0.52 -0.75 4.35 3.98 3hahB1 LEU 249 HB2 -0.14 0.17 0.18 -0.04 1.64 1.82 3hahB1 LEU 249 HB3 -0.11 -0.07 0.01 -0.04 1.64 1.43 3hahB1 LEU 249 HG -0.18 0.25 -0.04 -0.04 1.64 1.62 3hahB1 LEU 249 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.73 3hahB1 LEU 249 HD23 -0.13 -0.03 -0.03 -0.04 0.89 0.67 3hahB1 LEU 250 H -0.14 0.57 0.05 -0.55 8.37 8.30 3hahB1 LEU 250 HA -0.10 -0.01 0.55 -0.75 4.35 4.04 3hahB1 LEU 250 HB2 -0.10 0.16 0.22 -0.04 1.64 1.88 3hahB1 LEU 250 HB3 -0.09 0.00 -0.02 -0.04 1.64 1.48 3hahB1 LEU 250 HG -0.06 -0.02 0.05 -0.04 1.64 1.57 3hahB1 LEU 250 HD13 -0.07 -0.01 0.03 -0.04 0.93 0.84 3hahB1 LEU 250 HD23 -0.06 0.01 0.02 -0.04 0.89 0.81 3hahB1 ASP 251 H -0.17 0.35 -0.43 -0.55 8.40 7.60 3hahB1 ASP 251 HA -0.25 0.04 0.43 -0.75 4.63 4.09 3hahB1 ASP 251 HB2 -0.20 0.22 0.20 -0.04 2.71 2.89 3hahB1 ASP 251 HB3 -0.29 -0.04 -0.00 -0.04 2.70 2.32 3hahB1 ILE 252 H -0.17 0.38 -0.19 -0.55 8.25 7.72 3hahB1 ILE 252 HA -0.13 0.07 0.49 -0.75 4.18 3.85 3hahB1 ILE 252 HB -0.10 0.10 0.23 -0.04 1.89 2.08 3hahB1 ILE 252 HG12 -0.06 -0.06 0.05 -0.04 1.49 1.39 3hahB1 ILE 252 HG13 -0.13 0.27 0.16 -0.04 1.21 1.47 3hahB1 ILE 252 HG23 -0.04 -0.02 -0.07 -0.04 0.93 0.76 3hahB1 ILE 252 HD13 -0.08 -0.03 0.00 -0.04 0.88 0.73 3hahB1 LYS 253 H -0.10 0.56 0.05 -0.55 8.42 8.38 3hahB1 LYS 253 HA -0.05 -0.01 0.46 -0.75 4.32 3.96 3hahB1 LYS 253 HB2 -0.07 0.00 0.13 -0.04 1.87 1.90 3hahB1 LYS 253 HB3 -0.08 0.13 0.11 -0.04 1.79 1.91 3hahB1 LYS 253 HG2 -0.05 -0.05 0.07 -0.04 1.46 1.39 3hahB1 LYS 253 HG3 -0.05 -0.03 0.01 -0.04 1.46 1.35 3hahB1 LYS 253 HD2 -0.05 -0.00 -0.08 -0.04 1.69 1.52 3hahB1 LYS 253 HD3 -0.05 0.11 -0.69 -0.04 1.68 1.01 3hahB1 LYS 253 HE2 -0.04 -0.05 -0.02 -0.04 2.99 2.85 3hahB1 LYS 253 HE3 -0.03 -0.03 -0.03 -0.04 2.99 2.85 3hahB1 ARG 254 H -0.14 0.29 -0.71 -0.55 8.46 7.34 3hahB1 ARG 254 HA -0.03 0.06 0.58 -0.75 4.34 4.20 3hahB1 ARG 254 HB2 -0.19 0.17 0.16 -0.04 1.90 1.99 3hahB1 ARG 254 HB3 0.01 -0.05 0.07 -0.04 1.80 1.78 3hahB1 ARG 254 HG2 -0.03 -0.07 0.04 -0.04 1.67 1.56 3hahB1 ARG 254 HG3 -0.08 0.09 0.04 -0.04 1.67 1.69 3hahB1 ARG 254 HD2 -0.11 0.01 -0.00 -0.04 3.22 3.07 3hahB1 ARG 254 HD3 -0.04 -0.06 0.01 -0.04 3.22 3.09 3hahB1 HIS 255 H -0.07 0.32 -0.11 -0.55 8.41 8.01 3hahB1 HIS 255 HA -0.02 0.10 0.56 -0.75 4.63 4.51 3hahB1 HIS 255 HB2 -0.02 0.02 0.12 -0.04 3.26 3.34 3hahB1 HIS 255 HB3 -0.02 -0.07 0.07 -0.04 3.20 3.14 3hahB1 HIS 255 HD2 -0.02 0.01 -0.26 -0.04 6.97 6.66 3hahB1 HIS 255 HE1 -0.01 -0.09 0.00 -0.04 7.75 7.61 3hahB1 LEU 256 H 0.01 0.29 -0.28 -0.55 8.37 7.85 3hahB1 LEU 256 HA 0.00 0.11 0.74 -0.75 4.35 4.45 3hahB1 LEU 256 HB2 -0.02 0.05 0.05 -0.04 1.64 1.68 3hahB1 LEU 256 HB3 -0.02 -0.09 0.03 -0.04 1.64 1.52 3hahB1 LEU 256 HG -0.00 0.18 -0.08 -0.04 1.64 1.70 3hahB1 LEU 256 HD13 -0.03 -0.03 -0.09 -0.04 0.93 0.74 3hahB1 LEU 256 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.80 3hahB1 ASN 257 H -0.01 0.26 -0.30 -0.55 8.53 7.93 3hahB1 ASN 257 HA -0.06 -0.09 0.48 -0.75 4.76 4.33 3hahB1 ASN 257 HB2 -0.03 0.14 0.16 -0.04 2.88 3.10 3hahB1 ASN 257 HB3 -0.02 0.11 0.19 -0.04 2.79 3.03 3hahB1 ASN 257 HD21 -0.02 -0.17 -0.22 -0.04 7.03 6.58 3hahB1 ASN 257 HD22 -0.02 0.03 -0.04 -0.04 7.74 7.67 3hahB1 LEU 258 H -0.15 0.11 0.27 -0.55 8.37 8.05 3hahB1 LEU 258 HA -0.08 0.14 0.57 -0.75 4.35 4.23 3hahB1 LEU 258 HB2 -0.49 -0.05 0.14 -0.04 1.64 1.19 3hahB1 LEU 258 HB3 -0.34 -0.11 0.07 -0.04 1.64 1.22 3hahB1 LEU 258 HG -0.20 0.19 -0.03 -0.04 1.64 1.56 3hahB1 LEU 258 HD13 -0.46 -0.01 0.01 -0.04 0.93 0.42 3hahB1 LEU 258 HD23 -0.13 0.02 -0.06 -0.04 0.89 0.69 3hahB1 ALA 259 H -0.14 0.01 0.02 -0.55 8.40 7.75 3hahB1 ALA 259 HA 0.06 0.06 0.64 -0.75 4.34 4.34 3hahB1 ALA 259 HB3 -0.02 0.01 0.08 -0.04 1.41 1.44 3hahB1 GLU 260 H 0.03 0.12 0.10 -0.55 8.60 8.30 3hahB1 GLU 260 HA 0.02 -0.02 0.28 -0.75 4.29 3.82 3hahB1 ASN 261 H 0.05 0.01 -0.75 -0.55 8.53 7.29 3hahB1 ASN 261 HA 0.03 0.13 0.62 -0.75 4.76 4.79 3hahB1 ASN 261 HB2 0.02 0.30 -0.04 -0.04 2.88 3.13 3hahB1 ASN 261 HB3 0.07 0.26 0.23 -0.04 2.79 3.30 3hahB1 ASN 261 HD21 0.02 -0.05 0.06 -0.04 7.03 7.01 3hahB1 ASN 261 HD22 0.02 0.20 0.07 -0.04 7.74 7.99 3hahB1 SER 262 H 0.04 0.26 0.08 -0.55 8.46 8.29 3hahB1 SER 262 HA 0.07 0.06 0.43 -0.75 4.49 4.31 3hahB1 SER 262 HB2 0.02 0.03 0.10 -0.04 3.95 4.06 3hahB1 SER 262 HB3 0.03 0.02 0.04 -0.04 3.93 3.98 3hahB1 SER 263 H 0.06 0.12 -0.29 -0.55 8.46 7.80 3hahB1 SER 263 HA 0.07 0.09 0.33 -0.75 4.49 4.22 3hahB1 SER 263 HB2 0.07 0.06 0.04 -0.04 3.95 4.08 3hahB1 SER 263 HB3 0.05 0.05 0.02 -0.04 3.93 4.00 3hahB1 TYR 264 H 0.20 0.28 -0.12 -0.55 8.29 8.11 3hahB1 TYR 264 HA 0.09 0.10 0.57 -0.75 4.56 4.56 3hahB1 TYR 264 HB2 0.04 0.10 0.09 -0.04 3.06 3.25 3hahB1 TYR 264 HB3 0.06 0.03 0.04 -0.04 2.98 3.08 3hahB1 TYR 264 HD2 0.08 0.00 -0.07 -0.04 7.15 7.12 3hahB1 TYR 264 HE2 0.11 0.02 -0.03 -0.04 6.85 6.91 3hahB1 ILE 265 H 0.21 0.31 -0.05 -0.55 8.25 8.17 3hahB1 ILE 265 HA 0.10 0.03 0.31 -0.75 4.18 3.87 3hahB1 ILE 265 HB 0.11 0.07 0.09 -0.04 1.89 2.12 3hahB1 ILE 265 HG12 0.14 -0.00 0.06 -0.04 1.49 1.64 3hahB1 ILE 265 HG13 0.21 -0.00 0.15 -0.04 1.21 1.52 3hahB1 ILE 265 HG23 0.06 -0.00 -0.01 -0.04 0.93 0.94 3hahB1 ILE 265 HD13 0.08 -0.03 0.01 -0.04 0.88 0.90 3hahB1 HIS 266 H 0.15 0.48 -0.33 -0.55 8.41 8.17 3hahB1 HIS 266 HA 0.01 0.01 0.42 -0.75 4.63 4.31 3hahB1 HIS 266 HB2 0.01 0.12 0.12 -0.04 3.26 3.47 3hahB1 HIS 266 HB3 -0.01 0.05 0.08 -0.04 3.20 3.27 3hahB1 HIS 266 HD2 0.00 0.00 0.01 -0.04 6.97 6.94 3hahB1 HIS 266 HE1 -0.02 0.01 -0.03 -0.04 7.75 7.68 3hahB1 VAL 267 H -0.04 0.49 -0.22 -0.55 8.24 7.92 3hahB1 VAL 267 HA -0.13 0.03 0.31 -0.75 4.13 3.58 3hahB1 VAL 267 HB -0.24 -0.06 0.14 -0.04 2.12 1.91 3hahB1 VAL 267 HG13 -0.09 0.05 0.15 -0.04 0.97 1.04 3hahB1 VAL 267 HG23 -0.90 0.01 -0.09 -0.04 0.95 -0.08 3hahB1 TYR 268 H -0.05 0.35 -0.26 -0.55 8.29 7.77 3hahB1 TYR 268 HA -0.09 0.05 0.75 -0.75 4.56 4.51 3hahB1 TYR 268 HB2 -0.12 0.09 0.08 -0.04 3.06 3.07 3hahB1 TYR 268 HB3 -0.08 -0.02 0.09 -0.04 2.98 2.93 3hahB1 TYR 268 HD2 -0.26 0.07 0.02 -0.04 7.15 6.94 3hahB1 TYR 268 HE2 -0.49 0.01 -0.01 -0.04 6.85 6.31 3hahB1 ARG 269 H -0.10 0.41 -0.09 -0.55 8.46 8.13 3hahB1 ARG 269 HA -0.04 0.04 0.54 -0.75 4.34 4.12 3hahB1 ARG 269 HB2 -0.35 0.08 0.08 -0.04 1.90 1.67 3hahB1 ARG 269 HB3 -0.10 -0.03 0.06 -0.04 1.80 1.69 3hahB1 ARG 269 HG2 -0.04 0.29 0.13 -0.04 1.67 2.00 3hahB1 ARG 269 HG3 -0.06 -0.06 0.01 -0.04 1.67 1.52 3hahB1 ARG 269 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 3hahB1 ARG 269 HD3 -0.00 -0.02 0.00 -0.04 3.22 3.16 3hahB1 GLU 270 H -0.26 0.46 -0.23 -0.55 8.60 8.03 3hahB1 GLU 270 HA -0.13 0.03 0.34 -0.75 4.29 3.77 3hahB1 GLU 270 HB2 -0.32 0.06 0.11 -0.04 2.09 1.90 3hahB1 GLU 270 HB3 -0.15 0.14 0.19 -0.04 1.99 2.12 3hahB1 GLU 270 HG2 -0.05 -0.01 -0.13 -0.04 2.34 2.11 3hahB1 GLU 270 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.25 3hahB1 LEU 271 H -0.13 0.70 0.14 -0.55 8.37 8.53 3hahB1 LEU 271 HA -0.04 0.03 0.50 -0.75 4.35 4.09 3hahB1 LEU 271 HB2 -0.14 0.17 0.24 -0.04 1.64 1.86 3hahB1 LEU 271 HB3 0.02 0.00 0.10 -0.04 1.64 1.72 3hahB1 LEU 271 HG -0.04 0.07 0.03 -0.04 1.64 1.67 3hahB1 LEU 271 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.94 3hahB1 LEU 271 HD23 0.03 -0.02 -0.11 -0.04 0.89 0.75 3hahB1 GLU 272 H -0.00 0.55 -0.19 -0.55 8.60 8.41 3hahB1 GLU 272 HA 0.01 -0.03 0.34 -0.75 4.29 3.86 3hahB1 GLU 272 HB2 0.02 0.15 0.18 -0.04 2.09 2.39 3hahB1 GLU 272 HB3 -0.01 0.08 0.04 -0.04 1.99 2.06 3hahB1 GLU 272 HG2 0.00 -0.06 0.10 -0.04 2.34 2.35 3hahB1 GLU 272 HG3 0.01 -0.03 0.06 -0.04 2.34 2.34 3hahB1 GLN 273 H -0.04 0.39 -0.44 -0.55 8.47 7.83 3hahB1 GLN 273 HA -0.01 0.02 0.50 -0.75 4.36 4.11 3hahB1 GLN 273 HB2 -0.03 -0.01 0.10 -0.04 2.15 2.16 3hahB1 GLN 273 HB3 -0.04 0.12 0.22 -0.04 2.02 2.28 3hahB1 GLN 273 HG2 -0.01 0.01 -0.37 -0.04 2.40 1.98 3hahB1 GLN 273 HG3 -0.01 -0.04 -0.02 -0.04 2.39 2.28 3hahB1 GLN 273 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 3hahB1 GLN 273 HE22 -0.00 -0.01 -0.05 -0.04 7.69 7.58 3hahB1 ALA 274 H -0.02 0.70 0.07 -0.55 8.40 8.60 3hahB1 ALA 274 HA -0.01 -0.02 0.44 -0.75 4.34 4.00 3hahB1 ALA 274 HB3 -0.01 0.02 0.14 -0.04 1.41 1.52 3hahB1 ILE 275 H -0.00 0.47 -0.24 -0.55 8.25 7.93 3hahB1 ILE 275 HA 0.01 0.00 0.63 -0.75 4.18 4.06 3hahB1 ILE 275 HB 0.00 0.06 0.09 -0.04 1.89 2.00 3hahB1 ILE 275 HG12 0.03 -0.03 -0.07 -0.04 1.49 1.39 3hahB1 ILE 275 HG13 0.02 0.13 -0.02 -0.04 1.21 1.30 3hahB1 ILE 275 HG23 -0.01 -0.02 -0.11 -0.04 0.93 0.76 3hahB1 ILE 275 HD13 0.03 -0.02 -0.09 -0.04 0.88 0.76 3hahB1 ARG 276 H -0.00 0.55 0.01 -0.55 8.46 8.47 3hahB1 ARG 276 HA -0.01 -0.01 0.38 -0.75 4.34 3.95 3hahB1 ARG 276 HB2 -0.01 0.12 0.18 -0.04 1.90 2.16 3hahB1 ARG 276 HB3 -0.00 -0.06 0.09 -0.04 1.80 1.79 3hahB1 ARG 276 HG2 -0.01 -0.07 0.07 -0.04 1.67 1.62 3hahB1 ARG 276 HG3 -0.00 0.11 0.14 -0.04 1.67 1.87 3hahB1 ARG 276 HD2 -0.01 0.01 0.00 -0.04 3.22 3.19 3hahB1 ARG 276 HD3 -0.00 -0.04 0.03 -0.04 3.22 3.17 3hahB1 GLY 277 H -0.01 0.13 -0.88 -0.55 8.43 7.13 3hahB1 GLY 277 HA2 -0.00 -0.02 0.43 -0.51 4.01 3.91 3hahB1 GLY 277 HA3 -0.01 -0.00 0.23 -0.51 4.01 3.72 3hahB1 ALA 278 H -0.01 0.27 -0.06 -0.55 8.40 8.06 3hahB1 ALA 278 HA -0.01 -0.17 0.29 -0.75 4.34 3.70 3hahB1 ALA 278 HB3 -0.01 0.01 -0.02 -0.04 1.41 1.34 3hahB1 ASP 279 H -0.00 0.04 0.17 -0.55 8.40 8.06 3hahB1 ASP 279 HA 0.01 0.22 0.91 -0.75 4.63 5.01 3hahB1 ASP 279 HB2 0.01 0.28 0.04 -0.04 2.71 3.00 3hahB1 ASP 279 HB3 0.02 -0.14 0.17 -0.04 2.70 2.71 3hahB1 ALA 280 H 0.00 0.27 0.14 -0.55 8.40 8.27 3hahB1 ALA 280 HA 0.00 0.09 0.52 -0.75 4.34 4.19 3hahB1 ALA 280 HB3 0.00 0.04 0.12 -0.04 1.41 1.53 3hahB1 GLN 281 H 0.03 0.17 0.05 -0.55 8.47 8.18 3hahB1 GLN 281 HA 0.06 0.09 0.42 -0.75 4.36 4.18 3hahB1 GLN 281 HB2 0.04 -0.04 0.15 -0.04 2.15 2.26 3hahB1 GLN 281 HB3 0.05 0.06 0.04 -0.04 2.02 2.13 3hahB1 GLN 281 HG2 0.03 -0.04 0.12 -0.04 2.40 2.47 3hahB1 GLN 281 HG3 0.03 0.08 0.07 -0.04 2.39 2.52 3hahB1 GLN 281 HE21 0.03 0.04 0.02 -0.04 6.97 7.02 3hahB1 GLN 281 HE22 0.02 0.01 0.04 -0.04 7.69 7.72 3hahB1 GLU 282 H 0.06 0.10 -0.19 -0.55 8.60 8.02 3hahB1 GLU 282 HA 0.10 0.05 0.33 -0.75 4.29 4.02 3hahB1 GLU 282 HB2 0.05 0.03 0.11 -0.04 2.09 2.24 3hahB1 GLU 282 HB3 0.05 0.05 0.09 -0.04 1.99 2.13 3hahB1 GLU 282 HG2 0.07 -0.04 -0.21 -0.04 2.34 2.13 3hahB1 GLU 282 HG3 0.08 0.02 0.03 -0.04 2.34 2.44 3hahB1 ASP 283 H 0.10 0.37 -0.42 -0.55 8.40 7.90 3hahB1 ASP 283 HA 0.27 -0.02 0.57 -0.75 4.63 4.70 3hahB1 ASP 283 HB2 0.07 0.24 0.31 -0.04 2.71 3.28 3hahB1 ASP 283 HB3 0.15 0.03 0.04 -0.04 2.70 2.89 3hahB1 LEU 284 H 0.16 0.51 0.16 -0.55 8.37 8.66 3hahB1 LEU 284 HA 0.25 0.03 0.55 -0.75 4.35 4.43 3hahB1 LEU 284 HB2 0.11 0.06 0.28 -0.04 1.64 2.05 3hahB1 LEU 284 HB3 0.12 -0.03 0.07 -0.04 1.64 1.76 3hahB1 LEU 284 HG 0.09 0.13 0.06 -0.04 1.64 1.88 3hahB1 LEU 284 HD13 0.05 -0.03 -0.02 -0.04 0.93 0.89 3hahB1 LEU 284 HD23 0.08 0.00 0.02 -0.04 0.89 0.95 3hahB1 ARG 285 H 0.15 0.60 0.04 -0.55 8.46 8.70 3hahB1 ARG 285 HA 0.10 -0.01 0.43 -0.75 4.34 4.11 3hahB1 ARG 285 HB2 0.14 0.07 0.05 -0.04 1.90 2.11 3hahB1 ARG 285 HB3 0.10 0.02 0.01 -0.04 1.80 1.89 3hahB1 ARG 285 HG2 0.07 -0.00 0.03 -0.04 1.67 1.73 3hahB1 ARG 285 HG3 0.08 -0.03 -0.05 -0.04 1.67 1.64 3hahB1 ARG 285 HD2 0.07 0.04 -0.02 -0.04 3.22 3.27 3hahB1 ARG 285 HD3 0.05 0.01 -0.02 -0.04 3.22 3.23 3hahB1 TRP 286 H 0.38 0.34 -0.52 -0.55 7.97 7.62 3hahB1 TRP 286 HA 0.06 0.04 0.38 -0.75 4.62 4.35 3hahB1 TRP 286 HB2 0.09 -0.00 0.13 -0.04 3.23 3.41 3hahB1 TRP 286 HB3 0.18 0.10 0.17 -0.04 3.23 3.63 3hahB1 TRP 286 HD1 0.04 -0.01 0.04 -0.04 7.22 7.25 3hahB1 TRP 286 HE1 0.02 0.02 0.02 -0.04 10.20 10.22 3hahB1 TRP 286 HE3 0.18 0.10 -0.18 -0.04 7.59 7.64 3hahB1 TRP 286 HZ2 0.01 0.03 0.02 -0.04 7.44 7.46 3hahB1 TRP 286 HZ3 -0.27 0.03 -0.05 -0.04 7.13 6.80 3hahB1 TRP 286 HH2 0.01 0.06 -0.01 -0.04 7.19 7.21 3hahB1 PHE 287 H 0.35 0.40 -0.23 -0.55 8.34 8.31 3hahB1 PHE 287 HA -0.52 0.11 0.60 -0.75 4.62 4.06 3hahB1 PHE 287 HB2 0.06 0.05 0.13 -0.04 3.15 3.34 3hahB1 PHE 287 HB3 0.03 0.01 0.23 -0.04 3.06 3.29 3hahB1 PHE 287 HD2 -0.27 -0.01 -0.09 -0.04 7.28 6.87 3hahB1 PHE 287 HE2 -0.11 0.02 -0.05 -0.04 7.38 7.20 3hahB1 PHE 287 HZ -0.06 0.02 -0.02 -0.04 7.32 7.22 3hahB1 ARG 288 H 0.17 0.60 0.13 -0.55 8.46 8.81 3hahB1 ARG 288 HA -0.03 -0.03 0.45 -0.75 4.34 3.98 3hahB1 ARG 288 HB2 0.08 0.01 0.11 -0.04 1.90 2.06 3hahB1 ARG 288 HB3 0.03 0.07 0.16 -0.04 1.80 2.03 3hahB1 ARG 288 HG2 -0.02 -0.15 -0.19 -0.04 1.67 1.27 3hahB1 ARG 288 HG3 0.03 -0.01 0.01 -0.04 1.67 1.66 3hahB1 ARG 288 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.16 3hahB1 ARG 288 HD3 0.02 0.05 -0.04 -0.04 3.22 3.21 3hahB1 SER 289 H -0.08 0.55 -0.15 -0.55 8.46 8.23 3hahB1 SER 289 HA -0.12 -0.04 0.23 -0.75 4.49 3.82 3hahB1 SER 289 HB2 -0.05 -0.05 0.07 -0.04 3.95 3.87 3hahB1 SER 289 HB3 -0.07 0.29 0.16 -0.04 3.93 4.27 3hahB1 THR 290 H -0.56 0.24 -0.49 -0.55 8.28 6.92 3hahB1 THR 290 HA -0.36 0.24 1.11 -0.75 4.39 4.63 3hahB1 THR 290 HB -0.56 -0.06 0.19 -0.04 4.32 3.85 3hahB1 THR 290 HG23 -0.67 -0.02 -0.04 -0.04 1.22 0.45 3hahB1 SER 291 H -0.55 0.34 0.16 -0.55 8.46 7.86 3hahB1 SER 291 HA -0.40 0.12 0.70 -0.75 4.49 4.15 3hahB1 SER 291 HB2 -1.66 -0.03 -0.03 -0.04 3.95 2.19 3hahB1 SER 291 HB3 -1.00 -0.08 0.06 -0.04 3.93 2.87 3hahB1 GLY 292 H -0.34 0.37 0.32 -0.55 8.43 8.23 3hahB1 GLY 292 HA2 -0.12 0.20 0.91 -0.51 4.01 4.50 3hahB1 GLY 292 HA3 -0.09 -0.09 0.43 -0.51 4.01 3.75 3hahB1 PRO 293 HA 0.01 0.11 0.31 -0.51 4.44 4.36 3hahB1 PRO 293 HB2 0.02 -0.00 -0.05 -0.04 2.28 2.21 3hahB1 PRO 293 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 3hahB1 PRO 293 HG2 0.03 0.00 0.08 -0.04 2.03 2.10 3hahB1 PRO 293 HG3 0.03 0.05 0.10 -0.04 2.03 2.17 3hahB1 PRO 293 HD2 0.01 0.04 0.21 -0.04 3.68 3.90 3hahB1 PRO 293 HD3 0.00 0.14 0.25 -0.04 3.65 4.00 3hahB1 GLY 294 H -0.06 0.10 -0.78 -0.55 8.43 7.14 3hahB1 GLY 294 HA2 -0.01 0.02 0.39 -0.51 4.01 3.89 3hahB1 GLY 294 HA3 -0.05 -0.12 -0.02 -0.51 4.01 3.31 3hahB1 MET 295 H -0.11 0.44 -0.08 -0.55 8.47 8.16 3hahB1 MET 295 HA -0.11 0.10 0.46 -0.75 4.52 4.21 3hahB1 MET 295 HB2 -0.12 -0.04 -0.01 -0.04 2.15 1.94 3hahB1 MET 295 HB3 -0.13 0.02 -0.01 -0.04 2.03 1.87 3hahB1 MET 295 HG2 -0.22 0.01 -0.23 -0.04 2.63 2.15 3hahB1 MET 295 HG3 -0.20 0.11 -0.14 -0.04 2.56 2.29 3hahB1 MET 295 HE3 -0.19 -0.01 -0.14 -0.04 2.10 1.72 3hahB1 PRO 296 HA 0.00 0.03 0.55 -0.51 4.44 4.51 3hahB1 PRO 296 HB2 -0.04 -0.03 -0.06 -0.04 2.28 2.11 3hahB1 PRO 296 HB3 -0.02 -0.01 0.13 -0.04 2.02 2.09 3hahB1 PRO 296 HG2 -0.07 -0.00 0.09 -0.04 2.03 2.00 3hahB1 PRO 296 HG3 -0.05 -0.01 0.09 -0.04 2.03 2.03 3hahB1 PRO 296 HD2 -0.09 0.11 0.30 -0.04 3.68 3.96 3hahB1 PRO 296 HD3 -0.05 0.14 0.22 -0.04 3.65 3.92 3hahB1 MET 297 H 0.01 0.19 0.18 -0.55 8.47 8.30 3hahB1 MET 297 HA -0.26 0.13 0.62 -0.75 4.52 4.25 3hahB1 MET 297 HB2 -0.42 0.16 -0.12 -0.04 2.15 1.72 3hahB1 MET 297 HB3 -0.37 -0.02 -0.01 -0.04 2.03 1.59 3hahB1 MET 297 HG2 -2.80 -0.03 -0.15 -0.04 2.63 -0.40 3hahB1 MET 297 HG3 -1.32 -0.06 -0.59 -0.04 2.56 0.55 3hahB1 MET 297 HE3 -0.29 -0.01 0.08 -0.04 2.10 1.83 3hahB1 ASN 298 H -0.27 0.19 0.03 -0.55 8.53 7.94 3hahB1 ASN 298 HA -0.03 0.12 0.83 -0.75 4.76 4.93 3hahB1 ASN 298 HB2 -0.12 -0.02 0.17 -0.04 2.88 2.88 3hahB1 ASN 298 HB3 -0.05 0.06 0.05 -0.04 2.79 2.81 3hahB1 ASN 298 HD21 -0.04 -0.01 -0.03 -0.04 7.03 6.91 3hahB1 ASN 298 HD22 -0.06 -0.00 0.00 -0.04 7.74 7.64 3hahB1 TRP 299 H 0.26 0.15 0.00 -0.55 7.97 7.84 3hahB1 TRP 299 HA -0.01 0.07 0.30 -0.75 4.62 4.23 3hahB1 TRP 299 HB2 -0.00 -0.01 0.07 -0.04 3.23 3.24 3hahB1 TRP 299 HB3 -0.00 0.03 0.10 -0.04 3.23 3.32 3hahB1 TRP 299 HD1 -0.01 0.05 0.05 -0.04 7.22 7.26 3hahB1 TRP 299 HE1 -0.02 0.03 0.01 -0.04 10.20 10.19 3hahB1 TRP 299 HE3 -0.01 0.02 0.02 -0.04 7.59 7.58 3hahB1 TRP 299 HZ2 -0.02 0.06 -0.02 -0.04 7.44 7.42 3hahB1 TRP 299 HZ3 -0.01 -0.02 -0.01 -0.04 7.13 7.05 3hahB1 TRP 299 HH2 -0.01 -0.01 -0.02 -0.04 7.19 7.11 3hahB1 PRO 300 HA 0.06 0.02 0.50 -0.51 4.44 4.51 3hahB1 PRO 300 HB2 0.12 -0.02 0.03 -0.04 2.28 2.37 3hahB1 PRO 300 HB3 0.08 0.02 0.05 -0.04 2.02 2.12 3hahB1 PRO 300 HG2 0.17 0.01 0.08 -0.04 2.03 2.25 3hahB1 PRO 300 HG3 0.09 0.05 0.10 -0.04 2.03 2.22 3hahB1 PRO 300 HD2 0.49 0.06 0.21 -0.04 3.68 4.39 3hahB1 PRO 300 HD3 0.11 0.18 0.15 -0.04 3.65 4.04 3hahB1 GLN 301 H 0.05 0.26 0.22 -0.55 8.47 8.45 3hahB1 GLN 301 HA 0.09 0.06 0.65 -0.75 4.36 4.41 3hahB1 GLN 301 HB2 0.07 0.15 -0.20 -0.04 2.15 2.13 3hahB1 GLN 301 HB3 0.05 0.01 -0.02 -0.04 2.02 2.02 3hahB1 GLN 301 HG2 0.09 0.00 0.08 -0.04 2.40 2.53 3hahB1 GLN 301 HG3 0.07 -0.03 0.08 -0.04 2.39 2.46 3hahB1 GLN 301 HE21 0.02 -0.03 0.01 -0.04 6.97 6.92 3hahB1 GLN 301 HE22 0.05 -0.04 0.03 -0.04 7.69 7.68 3hahB1 PHE 302 H 0.20 0.09 0.12 -0.55 8.34 8.20 3hahB1 PHE 302 HA 0.01 0.05 0.44 -0.75 4.62 4.37 3hahB1 PHE 302 HB2 0.01 0.00 0.11 -0.04 3.15 3.23 3hahB1 PHE 302 HB3 -0.00 -0.01 0.06 -0.04 3.06 3.07 3hahB1 PHE 302 HD2 0.00 -0.02 -0.14 -0.04 7.28 7.08 3hahB1 PHE 302 HE2 0.01 -0.04 -0.08 -0.04 7.38 7.23 3hahB1 PHE 302 HZ 0.02 -0.02 -0.03 -0.04 7.32 7.25 3hahB1 GLU 303 H -0.80 0.16 0.17 -0.55 8.60 7.58 3hahB1 GLU 303 HA -0.10 0.15 0.97 -0.75 4.29 4.56 3hahB1 GLU 303 HB2 -0.19 -0.05 0.16 -0.04 2.09 1.97 3hahB1 GLU 303 HB3 -0.09 0.07 0.02 -0.04 1.99 1.95 3hahB1 GLU 303 HG2 -0.05 0.02 -0.02 -0.04 2.34 2.24 3hahB1 GLU 303 HG3 -0.07 0.15 -0.20 -0.04 2.34 2.18 3hahB1 GLU 304 H -0.06 0.13 0.08 -0.55 8.60 8.20 3hahB1 GLU 304 HA 0.07 0.07 0.44 -0.75 4.29 4.12 3hahB1 GLU 304 HB2 -0.08 0.03 0.10 -0.04 2.09 2.10 3hahB1 GLU 304 HB3 -0.06 0.00 0.04 -0.04 1.99 1.94 3hahB1 GLU 304 HG2 0.32 -0.01 -0.06 -0.04 2.34 2.55 3hahB1 GLU 304 HG3 0.07 0.03 0.01 -0.04 2.34 2.41 3hahB1 TRP 305 H 0.18 0.09 0.07 -0.55 7.97 7.76 3hahB1 TRP 305 HA 0.01 0.02 0.17 -0.75 4.62 4.07 3hahB1 TRP 305 HB2 -0.02 0.69 0.76 -0.04 3.23 4.61 3hahB1 TRP 305 HB3 -0.02 -0.02 0.15 -0.04 3.23 3.30 3hahB1 TRP 305 HD1 0.01 -0.03 -0.00 -0.04 7.22 7.15 3hahB1 TRP 305 HE1 0.00 -0.01 -0.02 -0.04 10.20 10.13 3hahB1 TRP 305 HE3 -0.02 0.06 0.02 -0.04 7.59 7.61 3hahB1 TRP 305 HZ2 -0.00 -0.01 -0.01 -0.04 7.44 7.37 3hahB1 TRP 305 HZ3 -0.01 0.00 -0.00 -0.04 7.13 7.08 3hahB1 TRP 305 HH2 -0.00 -0.01 -0.01 -0.04 7.19 7.13