============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 4 1.040 -9.899 37.355 -28.950 -99.200 -91.000 TRP6 4 1.020 -10.879 35.730 -30.363 -99.200 -91.000 HIS 94 0.900 -4.295 30.947 -24.200 -99.200 -91.000 HIS 114 0.900 2.301 39.212 -29.738 -99.200 -91.000 HIS 122 0.900 -7.182 53.262 -9.492 -99.200 -91.000 HIS 126 0.900 1.657 58.750 -1.754 -99.200 -91.000 TYR 129 0.840 -7.936 56.813 -4.484 -99.200 -91.000 PHE 139 1.000 -5.931 54.248 -14.565 -99.200 -91.000 PHE 161 1.000 -12.645 45.657 -5.206 -99.200 -91.000 PHE 163 1.000 -2.905 45.772 -6.613 -99.200 -91.000 HIS 169 0.900 -9.629 55.356 -0.087 -99.200 -91.000 HIS 185 0.900 -14.926 48.644 -21.962 -99.200 -91.000 HIS 211 0.900 -15.191 29.470 5.437 -99.200 -91.000 HIS 217 0.900 -13.653 36.892 -4.995 -99.200 -91.000 PHE 219 1.000 -22.242 43.732 -2.421 -99.200 -91.000 HIS 231 0.900 -4.462 33.622 -4.146 -99.200 -91.000 HIS 236 0.900 -13.775 31.974 -4.717 -99.200 -91.000 TRP 243 1.040 -24.983 34.202 -6.122 -99.200 -91.000 TRP6 243 1.020 -25.695 35.095 -4.056 -99.200 -91.000 TYR 247 0.840 -28.998 37.558 -8.189 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dzbB1 ARG 15 HA 0.03 -0.05 0.19 -0.75 4.34 3.75 2dzbB1 ARG 15 HB2 0.02 0.01 -0.01 -0.04 1.90 1.88 2dzbB1 ARG 15 HB3 0.03 0.03 -0.08 -0.04 1.80 1.74 2dzbB1 ARG 15 HG2 0.02 -0.01 0.07 -0.04 1.67 1.70 2dzbB1 ARG 15 HG3 0.01 -0.03 0.03 -0.04 1.67 1.64 2dzbB1 ARG 15 HD2 0.02 -0.01 -0.06 -0.04 3.22 3.13 2dzbB1 ARG 15 HD3 -0.00 0.08 -0.02 -0.04 3.22 3.23 2dzbB1 THR 16 H 0.05 0.24 0.15 -0.55 8.28 8.17 2dzbB1 THR 16 HA 0.05 0.17 0.89 -0.75 4.39 4.74 2dzbB1 THR 16 HB 0.08 -0.05 -0.28 -0.04 4.32 4.03 2dzbB1 THR 16 HG23 0.05 0.00 -0.34 -0.04 1.22 0.90 2dzbB1 LEU 17 H 0.06 0.71 0.28 -0.55 8.37 8.87 2dzbB1 LEU 17 HA 0.11 0.16 0.92 -0.75 4.35 4.78 2dzbB1 LEU 17 HB2 0.04 0.01 -0.08 -0.04 1.64 1.57 2dzbB1 LEU 17 HB3 0.03 0.01 0.10 -0.04 1.64 1.74 2dzbB1 LEU 17 HG 0.03 0.10 -0.46 -0.04 1.64 1.27 2dzbB1 LEU 17 HD13 0.07 -0.02 -0.10 -0.04 0.93 0.83 2dzbB1 LEU 17 HD23 0.00 -0.02 -0.18 -0.04 0.89 0.64 2dzbB1 TRP 18 H 0.29 0.17 0.08 -0.55 7.97 7.96 2dzbB1 TRP 18 HA 0.02 0.09 0.57 -0.75 4.62 4.54 2dzbB1 TRP 18 HB2 0.02 0.03 0.03 -0.04 3.23 3.26 2dzbB1 TRP 18 HB3 0.02 -0.05 0.09 -0.04 3.23 3.25 2dzbB1 TRP 18 HD1 0.02 -0.10 -0.08 -0.04 7.22 7.02 2dzbB1 TRP 18 HE1 0.02 0.43 0.15 -0.04 10.20 10.76 2dzbB1 TRP 18 HE3 0.02 -0.07 -0.19 -0.04 7.59 7.31 2dzbB1 TRP 18 HZ2 0.02 0.27 -0.01 -0.04 7.44 7.68 2dzbB1 TRP 18 HZ3 0.01 -0.06 -0.27 -0.04 7.13 6.78 2dzbB1 TRP 18 HH2 0.02 0.00 -0.19 -0.04 7.19 6.98 2dzbB1 LEU 19 H -0.78 0.82 0.34 -0.55 8.37 8.21 2dzbB1 LEU 19 HA -0.21 0.29 0.98 -0.75 4.35 4.65 2dzbB1 LEU 19 HB2 -0.28 0.02 0.13 -0.04 1.64 1.46 2dzbB1 LEU 19 HB3 -0.17 -0.05 0.17 -0.04 1.64 1.54 2dzbB1 LEU 19 HG -0.10 0.08 -0.44 -0.04 1.64 1.15 2dzbB1 LEU 19 HD13 -0.12 -0.02 -0.11 -0.04 0.93 0.64 2dzbB1 LEU 19 HD23 -0.05 0.03 -0.17 -0.04 0.89 0.65 2dzbB1 ARG 20 H -0.80 0.14 -0.04 -0.55 8.46 7.21 2dzbB1 ARG 20 HA -0.05 0.27 0.55 -0.75 4.34 4.35 2dzbB1 ARG 20 HB2 -0.11 0.02 0.08 -0.04 1.90 1.85 2dzbB1 ARG 20 HB3 -0.13 0.08 0.18 -0.04 1.80 1.89 2dzbB1 ARG 20 HG2 -0.02 -0.05 -0.30 -0.04 1.67 1.25 2dzbB1 ARG 20 HG3 0.01 0.12 0.04 -0.04 1.67 1.79 2dzbB1 ARG 20 HD2 -0.23 -0.03 -0.01 -0.04 3.22 2.91 2dzbB1 ARG 20 HD3 -0.08 -0.09 -0.04 -0.04 3.22 2.97 2dzbB1 ASP 21 H -0.38 0.54 0.26 -0.55 8.40 8.27 2dzbB1 ASP 21 HA -0.06 0.19 0.87 -0.75 4.63 4.88 2dzbB1 ASP 21 HB2 -0.01 -0.07 0.22 -0.04 2.71 2.81 2dzbB1 ASP 21 HB3 -0.01 0.06 -0.01 -0.04 2.70 2.70 2dzbB1 ARG 22 H -0.98 0.21 -0.07 -0.55 8.46 7.06 2dzbB1 ARG 22 HA -0.15 0.10 0.59 -0.75 4.34 4.12 2dzbB1 ARG 22 HB2 -0.11 -0.00 0.13 -0.04 1.90 1.88 2dzbB1 ARG 22 HB3 -0.14 0.10 -0.21 -0.04 1.80 1.51 2dzbB1 ARG 22 HG2 -0.28 0.05 0.05 -0.04 1.67 1.45 2dzbB1 ARG 22 HG3 -0.19 -0.01 -0.31 -0.04 1.67 1.12 2dzbB1 ARG 22 HD2 -0.19 -0.00 0.00 -0.04 3.22 2.99 2dzbB1 ARG 22 HD3 -0.11 -0.00 -0.01 -0.04 3.22 3.06 2dzbB1 ALA 23 H -0.01 0.21 0.17 -0.55 8.40 8.22 2dzbB1 ALA 23 HA 0.03 0.26 0.98 -0.75 4.34 4.85 2dzbB1 ALA 23 HB3 0.24 -0.00 -0.10 -0.04 1.41 1.51 2dzbB1 LEU 24 H 0.03 0.58 0.24 -0.55 8.37 8.68 2dzbB1 LEU 24 HA -0.01 0.15 0.97 -0.75 4.35 4.71 2dzbB1 LEU 24 HB2 -0.05 0.03 -0.04 -0.04 1.64 1.55 2dzbB1 LEU 24 HB3 -0.01 -0.06 0.13 -0.04 1.64 1.66 2dzbB1 LEU 24 HG -0.01 0.15 -0.14 -0.04 1.64 1.60 2dzbB1 LEU 24 HD13 -0.03 -0.01 0.07 -0.04 0.93 0.92 2dzbB1 LEU 24 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 2dzbB1 ASP 25 H 0.01 0.16 0.15 -0.55 8.40 8.17 2dzbB1 ASP 25 HA 0.03 0.15 0.61 -0.75 4.63 4.67 2dzbB1 ASP 25 HB2 0.02 -0.01 0.17 -0.04 2.71 2.85 2dzbB1 ASP 25 HB3 0.02 -0.01 0.11 -0.04 2.70 2.78 2dzbB1 LEU 26 H 0.03 0.80 0.33 -0.55 8.37 8.98 2dzbB1 LEU 26 HA 0.02 0.27 0.84 -0.75 4.35 4.73 2dzbB1 LEU 26 HB2 0.03 0.09 -0.06 -0.04 1.64 1.66 2dzbB1 LEU 26 HB3 0.02 -0.04 0.11 -0.04 1.64 1.69 2dzbB1 LEU 26 HG 0.03 -0.02 -0.20 -0.04 1.64 1.42 2dzbB1 LEU 26 HD13 0.04 -0.02 -0.20 -0.04 0.93 0.70 2dzbB1 LEU 26 HD23 0.02 0.01 -0.21 -0.04 0.89 0.67 2dzbB1 ASP 27 H 0.02 0.01 -0.32 -0.55 8.40 7.57 2dzbB1 ASP 27 HA 0.03 0.13 0.59 -0.75 4.63 4.62 2dzbB1 ASP 27 HB2 0.03 -0.00 0.08 -0.04 2.71 2.77 2dzbB1 ASP 27 HB3 0.02 0.01 0.08 -0.04 2.70 2.78 2dzbB1 ARG 28 H 0.02 0.17 -0.32 -0.55 8.46 7.79 2dzbB1 ARG 28 HA 0.04 0.15 0.49 -0.75 4.34 4.27 2dzbB1 ARG 28 HB2 0.04 -0.00 0.04 -0.04 1.90 1.94 2dzbB1 ARG 28 HB3 0.03 0.03 -0.06 -0.04 1.80 1.76 2dzbB1 ARG 28 HG2 0.02 -0.07 -0.10 -0.04 1.67 1.47 2dzbB1 ARG 28 HG3 0.02 0.05 -0.06 -0.04 1.67 1.63 2dzbB1 ARG 28 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.09 2dzbB1 ARG 28 HD3 0.02 0.15 -0.14 -0.04 3.22 3.21 2dzbB1 VAL 29 H 0.05 0.07 0.07 -0.55 8.24 7.87 2dzbB1 VAL 29 HA 0.01 0.18 0.52 -0.75 4.13 4.09 2dzbB1 VAL 29 HB 0.03 -0.06 0.06 -0.04 2.12 2.11 2dzbB1 VAL 29 HG13 -0.02 -0.04 -0.33 -0.04 0.97 0.54 2dzbB1 VAL 29 HG23 0.03 0.02 0.03 -0.04 0.95 0.98 2dzbB1 ARG 30 H -0.01 0.77 0.39 -0.55 8.46 9.05 2dzbB1 ARG 30 HA -0.01 0.17 0.94 -0.75 4.34 4.67 2dzbB1 ARG 30 HB2 -0.02 -0.03 0.14 -0.04 1.90 1.95 2dzbB1 ARG 30 HB3 -0.03 -0.08 -0.00 -0.04 1.80 1.65 2dzbB1 ARG 30 HG2 0.00 0.21 0.01 -0.04 1.67 1.86 2dzbB1 ARG 30 HG3 -0.01 -0.05 -0.07 -0.04 1.67 1.50 2dzbB1 ARG 30 HD2 -0.02 -0.09 0.01 -0.04 3.22 3.08 2dzbB1 ARG 30 HD3 -0.00 0.09 -0.19 -0.04 3.22 3.08 2dzbB1 LEU 31 H -0.04 0.21 0.21 -0.55 8.37 8.21 2dzbB1 LEU 31 HA -0.10 0.21 1.07 -0.75 4.35 4.78 2dzbB1 LEU 31 HB2 -0.04 0.00 0.13 -0.04 1.64 1.68 2dzbB1 LEU 31 HB3 -0.09 -0.06 -0.11 -0.04 1.64 1.34 2dzbB1 LEU 31 HG -0.02 0.11 -0.20 -0.04 1.64 1.50 2dzbB1 LEU 31 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 2dzbB1 LEU 31 HD23 -0.09 0.00 -0.26 -0.04 0.89 0.50 2dzbB1 LEU 32 H -0.11 0.81 0.35 -0.55 8.37 8.87 2dzbB1 LEU 32 HA -0.06 0.24 0.77 -0.75 4.35 4.55 2dzbB1 LEU 32 HB2 -0.08 -0.00 0.09 -0.04 1.64 1.61 2dzbB1 LEU 32 HB3 -0.06 -0.05 -0.14 -0.04 1.64 1.34 2dzbB1 LEU 32 HG -0.05 0.04 -0.24 -0.04 1.64 1.35 2dzbB1 LEU 32 HD13 -0.05 -0.01 -0.33 -0.04 0.93 0.50 2dzbB1 LEU 32 HD23 -0.03 -0.02 -0.25 -0.04 0.89 0.55 2dzbB1 GLY 33 H -0.07 0.79 0.29 -0.55 8.43 8.90 2dzbB1 GLY 33 HA2 -0.10 0.08 0.64 -0.51 4.01 4.12 2dzbB1 GLY 33 HA3 -0.06 0.03 0.32 -0.51 4.01 3.78 2dzbB1 VAL 34 H -0.20 0.54 0.36 -0.55 8.24 8.39 2dzbB1 VAL 34 HA -0.12 0.18 0.64 -0.75 4.13 4.08 2dzbB1 VAL 34 HB -0.77 -0.05 0.07 -0.04 2.12 1.33 2dzbB1 VAL 34 HG13 -0.13 -0.03 -0.28 -0.04 0.97 0.49 2dzbB1 VAL 34 HG23 -0.25 0.02 -0.15 -0.04 0.95 0.54 2dzbB1 LEU 35 H -0.05 0.73 0.23 -0.55 8.37 8.73 2dzbB1 LEU 35 HA -0.00 0.13 0.82 -0.75 4.35 4.55 2dzbB1 LEU 35 HB2 -0.02 0.04 -0.15 -0.04 1.64 1.47 2dzbB1 LEU 35 HB3 -0.01 -0.03 0.06 -0.04 1.64 1.62 2dzbB1 LEU 35 HG 0.00 -0.02 -0.27 -0.04 1.64 1.31 2dzbB1 LEU 35 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 2dzbB1 LEU 35 HD23 -0.00 -0.02 -0.13 -0.04 0.89 0.69 2dzbB1 ASN 36 H 0.04 0.19 0.01 -0.55 8.53 8.22 2dzbB1 ASN 36 HA 0.03 0.08 0.71 -0.75 4.76 4.83 2dzbB1 ASN 36 HB2 0.10 -0.02 -0.01 -0.04 2.88 2.91 2dzbB1 ASN 36 HB3 0.07 0.04 0.13 -0.04 2.79 2.99 2dzbB1 ASN 36 HD21 0.03 0.04 -0.17 -0.04 7.03 6.89 2dzbB1 ASN 36 HD22 0.03 0.07 -0.05 -0.04 7.74 7.75 2dzbB1 LEU 37 H 0.02 0.79 0.28 -0.55 8.37 8.92 2dzbB1 LEU 37 HA 0.01 0.18 0.48 -0.75 4.35 4.26 2dzbB1 LEU 37 HB2 0.01 -0.06 0.03 -0.04 1.64 1.58 2dzbB1 LEU 37 HB3 0.01 0.05 0.09 -0.04 1.64 1.75 2dzbB1 LEU 37 HG 0.01 0.06 -0.14 -0.04 1.64 1.53 2dzbB1 LEU 37 HD13 0.00 0.02 -0.10 -0.04 0.93 0.81 2dzbB1 LEU 37 HD23 0.01 0.02 -0.23 -0.04 0.89 0.65 2dzbB1 THR 38 H 0.02 0.19 -0.45 -0.55 8.28 7.49 2dzbB1 THR 38 HA 0.01 0.26 0.94 -0.75 4.39 4.85 2dzbB1 THR 38 HB 0.01 -0.07 0.04 -0.04 4.32 4.26 2dzbB1 THR 38 HG23 0.02 0.06 -0.49 -0.04 1.22 0.77 2dzbB1 PRO 39 HA 0.01 0.16 0.62 -0.51 4.44 4.71 2dzbB1 PRO 39 HB2 0.00 0.02 0.01 -0.04 2.28 2.28 2dzbB1 PRO 39 HB3 0.00 0.04 0.08 -0.04 2.02 2.10 2dzbB1 PRO 39 HG2 0.00 -0.03 0.08 -0.04 2.03 2.04 2dzbB1 PRO 39 HG3 0.00 0.05 0.09 -0.04 2.03 2.13 2dzbB1 PRO 39 HD2 0.01 0.05 0.26 -0.04 3.68 3.95 2dzbB1 PRO 39 HD3 0.01 0.20 0.20 -0.04 3.65 4.01 2dzbB1 ASP 40 H 0.01 0.02 -0.10 -0.55 8.40 7.77 2dzbB1 ASP 40 HA -0.00 0.23 0.51 -0.75 4.63 4.62 2dzbB1 ASP 40 HB2 -0.00 0.04 0.04 -0.04 2.71 2.76 2dzbB1 ASP 40 HB3 0.00 0.02 0.01 -0.04 2.70 2.69 2dzbB1 PRO 51 HA 0.00 0.07 0.21 -0.51 4.44 4.21 2dzbB1 PRO 51 HB2 0.00 -0.49 0.24 -0.04 2.28 1.99 2dzbB1 PRO 51 HB3 0.00 0.07 0.08 -0.04 2.02 2.13 2dzbB1 PRO 51 HG2 0.00 -0.01 0.05 -0.04 2.03 2.04 2dzbB1 PRO 51 HG3 0.00 0.06 0.05 -0.04 2.03 2.10 2dzbB1 PRO 51 HD2 0.01 -0.04 0.05 -0.04 3.68 3.65 2dzbB1 PRO 51 HD3 0.01 0.09 0.08 -0.04 3.65 3.78 2dzbB1 GLU 52 H 0.00 0.01 0.19 -0.55 8.60 8.26 2dzbB1 GLU 52 HA 0.00 0.29 1.00 -0.75 4.29 4.82 2dzbB1 GLU 52 HB2 0.00 0.02 -0.03 -0.04 2.09 2.04 2dzbB1 GLU 52 HB3 0.00 0.09 0.09 -0.04 1.99 2.13 2dzbB1 GLU 52 HG2 0.00 -0.03 -0.30 -0.04 2.34 1.96 2dzbB1 GLU 52 HG3 0.00 -0.02 0.05 -0.04 2.34 2.33 2dzbB1 ARG 53 H 0.00 0.05 0.18 -0.55 8.46 8.14 2dzbB1 ARG 53 HA 0.00 0.11 0.54 -0.75 4.34 4.23 2dzbB1 ARG 53 HB2 0.01 0.06 0.01 -0.04 1.90 1.93 2dzbB1 ARG 53 HB3 0.00 0.06 0.11 -0.04 1.80 1.93 2dzbB1 ARG 53 HG2 0.00 0.05 0.08 -0.04 1.67 1.76 2dzbB1 ARG 53 HG3 0.00 -0.13 0.15 -0.04 1.67 1.66 2dzbB1 ARG 53 HD2 0.00 0.03 0.03 -0.04 3.22 3.24 2dzbB1 ARG 53 HD3 0.00 0.03 0.03 -0.04 3.22 3.24 2dzbB1 ALA 54 H 0.00 0.04 -0.75 -0.55 8.40 7.14 2dzbB1 ALA 54 HA 0.01 0.11 0.42 -0.75 4.34 4.12 2dzbB1 ALA 54 HB3 0.00 0.06 -0.09 -0.04 1.41 1.34 2dzbB1 LEU 55 H 0.00 0.27 -0.13 -0.55 8.37 7.96 2dzbB1 LEU 55 HA -0.00 0.09 0.47 -0.75 4.35 4.16 2dzbB1 LEU 55 HB2 0.00 0.02 0.15 -0.04 1.64 1.77 2dzbB1 LEU 55 HB3 0.00 0.03 -0.01 -0.04 1.64 1.63 2dzbB1 LEU 55 HG 0.00 -0.01 -0.11 -0.04 1.64 1.48 2dzbB1 LEU 55 HD13 0.00 0.03 -0.04 -0.04 0.93 0.88 2dzbB1 LEU 55 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.84 2dzbB1 GLU 56 H 0.00 0.23 -0.33 -0.55 8.60 7.95 2dzbB1 GLU 56 HA 0.00 0.08 0.40 -0.75 4.29 4.01 2dzbB1 GLU 56 HB2 0.00 -0.01 0.12 -0.04 2.09 2.15 2dzbB1 GLU 56 HB3 0.00 0.07 -0.01 -0.04 1.99 2.01 2dzbB1 GLU 56 HG2 0.00 0.02 0.02 -0.04 2.34 2.34 2dzbB1 GLU 56 HG3 0.00 -0.01 0.01 -0.04 2.34 2.30 2dzbB1 ARG 57 H 0.00 0.29 -0.37 -0.55 8.46 7.83 2dzbB1 ARG 57 HA 0.00 0.02 0.50 -0.75 4.34 4.12 2dzbB1 ARG 57 HB2 0.01 0.01 0.13 -0.04 1.90 2.01 2dzbB1 ARG 57 HB3 0.01 0.14 0.20 -0.04 1.80 2.11 2dzbB1 ARG 57 HG2 0.02 -0.02 0.03 -0.04 1.67 1.66 2dzbB1 ARG 57 HG3 0.00 0.03 -0.18 -0.04 1.67 1.48 2dzbB1 ARG 57 HD2 0.01 -0.08 0.19 -0.04 3.22 3.30 2dzbB1 ARG 57 HD3 0.01 -0.01 0.07 -0.04 3.22 3.25 2dzbB1 ALA 58 H -0.00 0.49 -0.16 -0.55 8.40 8.18 2dzbB1 ALA 58 HA -0.01 0.01 0.39 -0.75 4.34 3.98 2dzbB1 ALA 58 HB3 -0.01 0.04 0.08 -0.04 1.41 1.48 2dzbB1 ARG 59 H -0.00 0.62 -0.09 -0.55 8.46 8.43 2dzbB1 ARG 59 HA -0.01 0.07 0.39 -0.75 4.34 4.04 2dzbB1 ARG 59 HB2 -0.00 0.05 0.13 -0.04 1.90 2.03 2dzbB1 ARG 59 HB3 -0.00 -0.03 0.01 -0.04 1.80 1.74 2dzbB1 ARG 59 HG2 -0.00 0.02 0.04 -0.04 1.67 1.69 2dzbB1 ARG 59 HG3 -0.00 0.10 0.06 -0.04 1.67 1.78 2dzbB1 ARG 59 HD2 -0.00 -0.02 -0.01 -0.04 3.22 3.15 2dzbB1 ARG 59 HD3 -0.00 0.02 -0.03 -0.04 3.22 3.16 2dzbB1 GLU 60 H -0.00 0.34 -0.48 -0.55 8.60 7.91 2dzbB1 GLU 60 HA 0.00 0.04 0.46 -0.75 4.29 4.04 2dzbB1 GLU 60 HB2 0.00 0.15 0.17 -0.04 2.09 2.38 2dzbB1 GLU 60 HB3 0.00 0.12 0.18 -0.04 1.99 2.26 2dzbB1 GLU 60 HG2 0.01 -0.07 -0.09 -0.04 2.34 2.15 2dzbB1 GLU 60 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 2dzbB1 MET 61 H -0.00 0.58 -0.05 -0.55 8.47 8.44 2dzbB1 MET 61 HA -0.00 -0.09 0.41 -0.75 4.52 4.08 2dzbB1 MET 61 HB2 -0.02 0.18 0.13 -0.04 2.15 2.40 2dzbB1 MET 61 HB3 -0.02 -0.10 0.02 -0.04 2.03 1.89 2dzbB1 MET 61 HG2 -0.00 -0.15 0.07 -0.04 2.63 2.51 2dzbB1 MET 61 HG3 -0.00 0.26 0.10 -0.04 2.56 2.87 2dzbB1 MET 61 HE3 -0.02 0.03 -0.28 -0.04 2.10 1.78 2dzbB1 VAL 62 H -0.01 0.52 -0.28 -0.55 8.24 7.92 2dzbB1 VAL 62 HA -0.02 0.13 0.45 -0.75 4.13 3.94 2dzbB1 VAL 62 HB -0.01 0.08 0.13 -0.04 2.12 2.27 2dzbB1 VAL 62 HG13 -0.02 0.02 -0.09 -0.04 0.97 0.84 2dzbB1 VAL 62 HG23 -0.02 0.06 -0.05 -0.04 0.95 0.90 2dzbB1 ALA 63 H -0.01 0.43 -0.20 -0.55 8.40 8.07 2dzbB1 ALA 63 HA -0.00 0.05 0.43 -0.75 4.34 4.06 2dzbB1 ALA 63 HB3 0.00 0.02 0.15 -0.04 1.41 1.54 2dzbB1 GLU 64 H 0.00 0.33 -0.33 -0.55 8.60 8.06 2dzbB1 GLU 64 HA 0.01 0.09 0.53 -0.75 4.29 4.17 2dzbB1 GLU 64 HB2 0.01 0.05 0.08 -0.04 2.09 2.19 2dzbB1 GLU 64 HB3 0.02 -0.20 0.04 -0.04 1.99 1.80 2dzbB1 GLU 64 HG2 0.01 0.27 0.00 -0.04 2.34 2.58 2dzbB1 GLU 64 HG3 0.01 -0.20 0.01 -0.04 2.34 2.12 2dzbB1 GLY 65 H -0.00 0.40 -0.53 -0.55 8.43 7.75 2dzbB1 GLY 65 HA2 -0.00 0.08 0.20 -0.51 4.01 3.78 2dzbB1 GLY 65 HA3 0.01 0.10 0.79 -0.51 4.01 4.39 2dzbB1 ALA 66 H -0.01 0.48 0.12 -0.55 8.40 8.44 2dzbB1 ALA 66 HA -0.03 -0.06 0.49 -0.75 4.34 3.98 2dzbB1 ALA 66 HB3 -0.03 -0.03 -0.09 -0.04 1.41 1.21 2dzbB1 ASP 67 H -0.04 0.23 0.39 -0.55 8.40 8.43 2dzbB1 ASP 67 HA -0.04 0.16 0.66 -0.75 4.63 4.66 2dzbB1 ASP 67 HB2 -0.04 -0.05 0.12 -0.04 2.71 2.70 2dzbB1 ASP 67 HB3 -0.04 0.02 0.06 -0.04 2.70 2.69 2dzbB1 ILE 68 H -0.06 0.41 0.27 -0.55 8.25 8.33 2dzbB1 ILE 68 HA -0.08 0.39 0.72 -0.75 4.18 4.46 2dzbB1 ILE 68 HB -0.05 -0.14 -0.13 -0.04 1.89 1.53 2dzbB1 ILE 68 HG12 -0.09 0.12 -0.20 -0.04 1.49 1.28 2dzbB1 ILE 68 HG13 -0.06 -0.09 -0.72 -0.04 1.21 0.30 2dzbB1 ILE 68 HG23 -0.05 -0.01 -0.37 -0.04 0.93 0.46 2dzbB1 ILE 68 HD13 -0.04 -0.02 -0.25 -0.04 0.88 0.53 2dzbB1 LEU 69 H -0.05 0.64 0.22 -0.55 8.37 8.63 2dzbB1 LEU 69 HA -0.05 0.17 0.95 -0.75 4.35 4.67 2dzbB1 LEU 69 HB2 -0.03 0.01 0.10 -0.04 1.64 1.68 2dzbB1 LEU 69 HB3 -0.03 -0.04 -0.04 -0.04 1.64 1.49 2dzbB1 LEU 69 HG -0.04 0.10 -0.25 -0.04 1.64 1.41 2dzbB1 LEU 69 HD13 -0.02 0.00 -0.11 -0.04 0.93 0.75 2dzbB1 LEU 69 HD23 -0.03 0.01 -0.19 -0.04 0.89 0.63 2dzbB1 ASP 70 H -0.05 0.79 0.11 -0.55 8.40 8.71 2dzbB1 ASP 70 HA -0.02 0.21 0.88 -0.75 4.63 4.94 2dzbB1 ASP 70 HB2 -0.04 -0.01 -0.22 -0.04 2.71 2.39 2dzbB1 ASP 70 HB3 -0.06 -0.05 -0.07 -0.04 2.70 2.48 2dzbB1 LEU 71 H -0.01 0.68 0.27 -0.55 8.37 8.77 2dzbB1 LEU 71 HA -0.01 0.30 0.95 -0.75 4.35 4.83 2dzbB1 LEU 71 HB2 -0.00 0.04 0.15 -0.04 1.64 1.78 2dzbB1 LEU 71 HB3 -0.00 -0.04 -0.05 -0.04 1.64 1.51 2dzbB1 LEU 71 HG -0.01 0.02 -0.08 -0.04 1.64 1.53 2dzbB1 LEU 71 HD13 -0.01 0.01 -0.36 -0.04 0.93 0.53 2dzbB1 LEU 71 HD23 -0.00 0.00 -0.14 -0.04 0.89 0.71 2dzbB1 GLY 72 H 0.00 0.55 0.33 -0.55 8.43 8.77 2dzbB1 GLY 72 HA2 0.01 0.21 0.95 -0.51 4.01 4.67 2dzbB1 GLY 72 HA3 0.02 0.03 0.29 -0.51 4.01 3.84 2dzbB1 ALA 73 H 0.01 0.20 0.16 -0.55 8.40 8.22 2dzbB1 ALA 73 HA 0.01 0.20 0.76 -0.75 4.34 4.55 2dzbB1 ALA 73 HB3 0.01 0.02 -0.01 -0.04 1.41 1.38 2dzbB1 GLU 74 H 0.02 0.14 0.01 -0.55 8.60 8.23 2dzbB1 GLU 74 HA 0.02 0.20 0.92 -0.75 4.29 4.68 2dzbB1 GLU 74 HB2 0.01 -0.02 -0.06 -0.04 2.09 1.98 2dzbB1 GLU 74 HB3 0.02 -0.07 0.13 -0.04 1.99 2.02 2dzbB1 GLU 74 HG2 0.02 0.25 -0.00 -0.04 2.34 2.58 2dzbB1 GLU 74 HG3 0.01 0.02 0.39 -0.04 2.34 2.72 2dzbB1 SER 75 H 0.02 0.12 -0.56 -0.55 8.46 7.50 2dzbB1 SER 75 HA 0.04 -0.01 0.26 -0.75 4.49 4.04 2dzbB1 SER 75 HB2 0.02 0.10 0.01 -0.04 3.95 4.04 2dzbB1 SER 75 HB3 0.02 -0.06 -0.01 -0.04 3.93 3.84 2dzbB1 THR 76 H 0.08 0.06 0.06 -0.55 8.28 7.92 2dzbB1 THR 76 HA 0.11 0.25 0.72 -0.75 4.39 4.71 2dzbB1 THR 76 HB 0.46 0.05 0.02 -0.04 4.32 4.80 2dzbB1 THR 76 HG23 0.11 0.02 -0.12 -0.04 1.22 1.19 2dzbB1 PRO 84 HA 0.01 -0.03 0.21 -0.51 4.44 4.11 2dzbB1 PRO 84 HB2 0.00 -0.01 0.01 -0.04 2.28 2.24 2dzbB1 PRO 84 HB3 0.00 0.01 0.10 -0.04 2.02 2.10 2dzbB1 PRO 84 HG2 0.01 0.00 0.13 -0.04 2.03 2.13 2dzbB1 PRO 84 HG3 0.01 -0.04 0.39 -0.04 2.03 2.35 2dzbB1 PRO 84 HD2 0.00 0.01 0.13 -0.04 3.68 3.78 2dzbB1 PRO 84 HD3 0.01 0.07 0.19 -0.04 3.65 3.88 2dzbB1 VAL 85 H 0.00 0.33 0.13 -0.55 8.24 8.15 2dzbB1 VAL 85 HA 0.00 0.11 0.69 -0.75 4.13 4.18 2dzbB1 VAL 85 HB 0.00 -0.01 0.08 -0.04 2.12 2.14 2dzbB1 VAL 85 HG13 0.00 -0.06 0.01 -0.04 0.97 0.88 2dzbB1 VAL 85 HG23 0.00 0.02 -0.24 -0.04 0.95 0.69 2dzbB1 GLU 86 H 0.00 0.21 0.12 -0.55 8.60 8.39 2dzbB1 GLU 86 HA -0.00 0.06 0.21 -0.75 4.29 3.80 2dzbB1 GLU 86 HB2 -0.00 0.01 0.10 -0.04 2.09 2.15 2dzbB1 GLU 86 HB3 -0.00 0.03 0.11 -0.04 1.99 2.08 2dzbB1 GLU 86 HG2 -0.00 0.07 -0.28 -0.04 2.34 2.08 2dzbB1 GLU 86 HG3 -0.00 -0.09 -0.01 -0.04 2.34 2.20 2dzbB1 GLU 87 H 0.00 0.07 -0.20 -0.55 8.60 7.93 2dzbB1 GLU 87 HA -0.00 0.09 0.34 -0.75 4.29 3.97 2dzbB1 GLU 87 HB2 0.00 0.04 -0.03 -0.04 2.09 2.06 2dzbB1 GLU 87 HB3 0.00 0.06 0.07 -0.04 1.99 2.08 2dzbB1 GLU 87 HG2 0.00 -0.09 0.05 -0.04 2.34 2.25 2dzbB1 GLU 87 HG3 0.00 0.08 0.03 -0.04 2.34 2.41 2dzbB1 GLU 88 H 0.00 0.23 -0.37 -0.55 8.60 7.91 2dzbB1 GLU 88 HA 0.00 0.06 0.41 -0.75 4.29 4.00 2dzbB1 GLU 88 HB2 0.00 0.13 0.20 -0.04 2.09 2.39 2dzbB1 GLU 88 HB3 0.00 -0.00 0.24 -0.04 1.99 2.19 2dzbB1 GLU 88 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 2dzbB1 GLU 88 HG3 0.00 -0.10 0.01 -0.04 2.34 2.22 2dzbB1 LYS 89 H -0.00 0.79 -0.39 -0.55 8.42 8.27 2dzbB1 LYS 89 HA -0.00 -0.01 0.65 -0.75 4.32 4.21 2dzbB1 LYS 89 HB2 -0.00 0.13 0.12 -0.04 1.87 2.07 2dzbB1 LYS 89 HB3 -0.00 -0.07 0.11 -0.04 1.79 1.79 2dzbB1 LYS 89 HG2 -0.01 -0.11 0.07 -0.04 1.46 1.38 2dzbB1 LYS 89 HG3 -0.00 0.18 0.05 -0.04 1.46 1.65 2dzbB1 LYS 89 HD2 -0.00 -0.10 -0.07 -0.04 1.69 1.47 2dzbB1 LYS 89 HD3 -0.00 0.08 0.05 -0.04 1.68 1.76 2dzbB1 LYS 89 HE2 -0.00 0.01 0.01 -0.04 2.99 2.97 2dzbB1 LYS 89 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 2dzbB1 ARG 90 H 0.00 0.08 -0.38 -0.55 8.46 7.61 2dzbB1 ARG 90 HA 0.00 0.08 0.42 -0.75 4.34 4.09 2dzbB1 ARG 90 HB2 0.00 0.03 -0.06 -0.04 1.90 1.83 2dzbB1 ARG 90 HB3 0.00 0.04 0.08 -0.04 1.80 1.88 2dzbB1 ARG 90 HG2 0.00 0.05 0.04 -0.04 1.67 1.72 2dzbB1 ARG 90 HG3 0.00 -0.10 0.11 -0.04 1.67 1.64 2dzbB1 ARG 90 HD2 0.00 0.03 0.00 -0.04 3.22 3.21 2dzbB1 ARG 90 HD3 0.00 0.02 0.01 -0.04 3.22 3.21 2dzbB1 ARG 91 H 0.00 0.27 -0.54 -0.55 8.46 7.64 2dzbB1 ARG 91 HA 0.00 0.10 0.57 -0.75 4.34 4.26 2dzbB1 ARG 91 HB2 0.00 0.04 0.23 -0.04 1.90 2.13 2dzbB1 ARG 91 HB3 0.00 0.03 0.07 -0.04 1.80 1.87 2dzbB1 ARG 91 HG2 0.00 0.02 0.12 -0.04 1.67 1.77 2dzbB1 ARG 91 HG3 0.00 -0.08 0.10 -0.04 1.67 1.65 2dzbB1 ARG 91 HD2 0.01 0.02 0.18 -0.04 3.22 3.38 2dzbB1 ARG 91 HD3 0.01 0.21 0.23 -0.04 3.22 3.63 2dzbB1 LEU 92 H 0.00 0.05 -0.02 -0.55 8.37 7.85 2dzbB1 LEU 92 HA 0.00 0.17 0.63 -0.75 4.35 4.40 2dzbB1 LEU 92 HB2 -0.00 -0.06 0.01 -0.04 1.64 1.55 2dzbB1 LEU 92 HB3 -0.00 -0.04 0.17 -0.04 1.64 1.73 2dzbB1 LEU 92 HG -0.01 0.05 -0.33 -0.04 1.64 1.31 2dzbB1 LEU 92 HD13 -0.00 -0.00 -0.16 -0.04 0.93 0.73 2dzbB1 LEU 92 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 2dzbB1 LEU 93 H -0.00 0.19 0.12 -0.55 8.37 8.12 2dzbB1 LEU 93 HA -0.00 0.01 0.30 -0.75 4.35 3.90 2dzbB1 LEU 93 HB2 -0.00 0.09 0.06 -0.04 1.64 1.74 2dzbB1 LEU 93 HB3 -0.00 0.04 -0.03 -0.04 1.64 1.60 2dzbB1 LEU 93 HG -0.00 -0.04 0.13 -0.04 1.64 1.69 2dzbB1 LEU 93 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.88 2dzbB1 LEU 93 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 2dzbB1 PRO 94 HA 0.00 0.05 0.42 -0.51 4.44 4.40 2dzbB1 PRO 94 HB2 0.00 0.09 0.03 -0.04 2.28 2.36 2dzbB1 PRO 94 HB3 0.00 0.00 0.06 -0.04 2.02 2.04 2dzbB1 PRO 94 HG2 0.00 0.14 0.07 -0.04 2.03 2.19 2dzbB1 PRO 94 HG3 0.00 -0.02 0.03 -0.04 2.03 2.00 2dzbB1 PRO 94 HD2 0.00 0.19 -0.51 -0.04 3.68 3.32 2dzbB1 PRO 94 HD3 -0.00 0.07 0.00 -0.04 3.65 3.68 2dzbB1 VAL 95 H 0.00 0.31 -0.21 -0.55 8.24 7.80 2dzbB1 VAL 95 HA 0.00 0.01 0.46 -0.75 4.13 3.85 2dzbB1 VAL 95 HB 0.00 0.12 0.15 -0.04 2.12 2.35 2dzbB1 VAL 95 HG13 0.00 -0.04 -0.15 -0.04 0.97 0.74 2dzbB1 VAL 95 HG23 0.00 0.03 0.09 -0.04 0.95 1.03 2dzbB1 LEU 96 H -0.00 0.68 -0.05 -0.55 8.37 8.46 2dzbB1 LEU 96 HA 0.00 -0.03 0.29 -0.75 4.35 3.86 2dzbB1 LEU 96 HB2 -0.00 -0.09 -0.07 -0.04 1.64 1.44 2dzbB1 LEU 96 HB3 -0.00 0.07 0.03 -0.04 1.64 1.70 2dzbB1 LEU 96 HG -0.00 0.10 -0.32 -0.04 1.64 1.37 2dzbB1 LEU 96 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 2dzbB1 LEU 96 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.79 2dzbB1 GLU 97 H -0.00 0.61 -0.20 -0.55 8.60 8.46 2dzbB1 GLU 97 HA 0.00 0.09 0.38 -0.75 4.29 4.01 2dzbB1 GLU 97 HB2 -0.00 0.03 0.10 -0.04 2.09 2.18 2dzbB1 GLU 97 HB3 0.00 0.05 0.08 -0.04 1.99 2.08 2dzbB1 GLU 97 HG2 0.00 -0.01 -0.06 -0.04 2.34 2.23 2dzbB1 GLU 97 HG3 -0.00 0.05 0.05 -0.04 2.34 2.40 2dzbB1 ALA 98 H 0.00 0.40 -0.13 -0.55 8.40 8.12 2dzbB1 ALA 98 HA 0.00 0.03 0.44 -0.75 4.34 4.06 2dzbB1 ALA 98 HB3 0.00 -0.01 0.15 -0.04 1.41 1.51 2dzbB1 VAL 99 H 0.00 0.76 -0.03 -0.55 8.24 8.43 2dzbB1 VAL 99 HA -0.00 -0.02 0.41 -0.75 4.13 3.77 2dzbB1 VAL 99 HB 0.00 0.09 0.05 -0.04 2.12 2.22 2dzbB1 VAL 99 HG13 -0.00 -0.01 -0.15 -0.04 0.97 0.76 2dzbB1 VAL 99 HG23 -0.00 0.02 -0.06 -0.04 0.95 0.87 2dzbB1 LEU 100 H 0.01 0.63 -0.17 -0.55 8.37 8.29 2dzbB1 LEU 100 HA 0.04 0.05 0.32 -0.75 4.35 4.01 2dzbB1 LEU 100 HB2 0.02 0.15 0.10 -0.04 1.64 1.86 2dzbB1 LEU 100 HB3 0.04 -0.00 0.03 -0.04 1.64 1.67 2dzbB1 LEU 100 HG 0.03 0.09 -0.00 -0.04 1.64 1.71 2dzbB1 LEU 100 HD13 -0.01 -0.01 -0.25 -0.04 0.93 0.63 2dzbB1 LEU 100 HD23 0.11 -0.01 -0.13 -0.04 0.89 0.82 2dzbB1 SER 101 H 0.01 0.34 -0.78 -0.55 8.46 7.48 2dzbB1 SER 101 HA 0.01 0.06 0.49 -0.75 4.49 4.30 2dzbB1 SER 101 HB2 0.00 -0.11 0.14 -0.04 3.95 3.94 2dzbB1 SER 101 HB3 0.00 0.05 0.13 -0.04 3.93 4.08 2dzbB1 LEU 102 H 0.00 0.66 -0.32 -0.55 8.37 8.16 2dzbB1 LEU 102 HA -0.01 0.09 0.72 -0.75 4.35 4.40 2dzbB1 LEU 102 HB2 -0.01 0.16 0.09 -0.04 1.64 1.84 2dzbB1 LEU 102 HB3 -0.02 -0.07 0.11 -0.04 1.64 1.62 2dzbB1 LEU 102 HG -0.00 0.10 0.06 -0.04 1.64 1.76 2dzbB1 LEU 102 HD13 -0.01 -0.03 -0.05 -0.04 0.93 0.80 2dzbB1 LEU 102 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.82 2dzbB1 GLY 103 H 0.00 0.42 -0.33 -0.55 8.43 7.97 2dzbB1 GLY 103 HA2 -0.01 0.05 0.27 -0.51 4.01 3.81 2dzbB1 GLY 103 HA3 -0.02 0.04 0.27 -0.51 4.01 3.79 2dzbB1 VAL 104 H -0.04 -0.01 -0.76 -0.55 8.24 6.88 2dzbB1 VAL 104 HA -0.11 0.15 0.55 -0.75 4.13 3.97 2dzbB1 VAL 104 HB -0.05 -0.12 -0.07 -0.04 2.12 1.84 2dzbB1 VAL 104 HG13 -0.08 0.06 -0.22 -0.04 0.97 0.69 2dzbB1 VAL 104 HG23 -0.04 0.03 -0.06 -0.04 0.95 0.84 2dzbB1 PRO 105 HA -1.17 0.06 0.42 -0.51 4.44 3.24 2dzbB1 PRO 105 HB2 -0.20 -0.06 0.08 -0.04 2.28 2.07 2dzbB1 PRO 105 HB3 -0.37 0.01 0.07 -0.04 2.02 1.68 2dzbB1 PRO 105 HG2 -0.19 0.02 0.10 -0.04 2.03 1.92 2dzbB1 PRO 105 HG3 -0.35 0.07 0.11 -0.04 2.03 1.82 2dzbB1 PRO 105 HD2 -0.15 0.30 0.29 -0.04 3.68 4.08 2dzbB1 PRO 105 HD3 -0.17 0.19 0.30 -0.04 3.65 3.93 2dzbB1 VAL 106 H 0.23 0.18 0.23 -0.55 8.24 8.32 2dzbB1 VAL 106 HA -0.01 0.17 1.14 -0.75 4.13 4.68 2dzbB1 VAL 106 HB 0.15 -0.02 0.08 -0.04 2.12 2.29 2dzbB1 VAL 106 HG13 0.02 -0.03 -0.18 -0.04 0.97 0.74 2dzbB1 VAL 106 HG23 0.02 0.08 -0.18 -0.04 0.95 0.82 2dzbB1 SER 107 H -0.01 0.98 0.39 -0.55 8.46 9.28 2dzbB1 SER 107 HA 0.01 0.19 0.87 -0.75 4.49 4.81 2dzbB1 SER 107 HB2 -0.01 0.03 -0.19 -0.04 3.95 3.74 2dzbB1 SER 107 HB3 -0.02 -0.07 -0.05 -0.04 3.93 3.76 2dzbB1 VAL 108 H -0.01 0.67 0.31 -0.55 8.24 8.66 2dzbB1 VAL 108 HA -0.01 0.24 1.05 -0.75 4.13 4.66 2dzbB1 VAL 108 HB -0.01 0.06 -0.03 -0.04 2.12 2.09 2dzbB1 VAL 108 HG13 -0.03 0.04 0.13 -0.04 0.97 1.07 2dzbB1 VAL 108 HG23 -0.02 -0.03 -0.18 -0.04 0.95 0.68 2dzbB1 ASP 109 H -0.01 0.78 0.18 -0.55 8.40 8.80 2dzbB1 ASP 109 HA -0.01 0.35 0.87 -0.75 4.63 5.08 2dzbB1 ASP 109 HB2 -0.00 -0.01 -0.14 -0.04 2.71 2.52 2dzbB1 ASP 109 HB3 0.01 -0.06 0.06 -0.04 2.70 2.66 2dzbB1 THR 110 H -0.01 0.52 0.19 -0.55 8.28 8.43 2dzbB1 THR 110 HA -0.00 0.08 0.75 -0.75 4.39 4.46 2dzbB1 THR 110 HB -0.01 0.07 -0.20 -0.04 4.32 4.14 2dzbB1 THR 110 HG23 -0.02 0.03 -0.18 -0.04 1.22 1.01 2dzbB1 ARG 111 H -0.01 0.15 0.15 -0.55 8.46 8.20 2dzbB1 ARG 111 HA -0.02 0.22 0.95 -0.75 4.34 4.74 2dzbB1 ARG 111 HB2 -0.01 -0.00 0.14 -0.04 1.90 1.99 2dzbB1 ARG 111 HB3 -0.01 -0.01 0.00 -0.04 1.80 1.74 2dzbB1 ARG 111 HG2 -0.00 -0.07 -0.04 -0.04 1.67 1.52 2dzbB1 ARG 111 HG3 -0.00 0.01 -0.16 -0.04 1.67 1.48 2dzbB1 ARG 111 HD2 0.00 0.04 -0.05 -0.04 3.22 3.18 2dzbB1 ARG 111 HD3 0.00 0.03 -0.03 -0.04 3.22 3.18 2dzbB1 LYS 112 H -0.01 0.03 0.00 -0.55 8.42 7.89 2dzbB1 LYS 112 HA -0.01 0.30 0.88 -0.75 4.32 4.74 2dzbB1 LYS 112 HB2 -0.01 -0.06 0.15 -0.04 1.87 1.91 2dzbB1 LYS 112 HB3 -0.01 -0.03 0.04 -0.04 1.79 1.76 2dzbB1 LYS 112 HG2 -0.00 0.13 -0.08 -0.04 1.46 1.46 2dzbB1 LYS 112 HG3 -0.00 -0.06 -0.03 -0.04 1.46 1.33 2dzbB1 LYS 112 HD2 -0.00 0.00 -0.04 -0.04 1.69 1.61 2dzbB1 LYS 112 HD3 -0.00 0.01 0.00 -0.04 1.68 1.65 2dzbB1 LYS 112 HE2 0.00 -0.13 -0.13 -0.04 2.99 2.69 2dzbB1 LYS 112 HE3 0.00 0.09 -0.09 -0.04 2.99 2.95 2dzbB1 PRO 113 HA -0.02 0.12 0.30 -0.51 4.44 4.33 2dzbB1 PRO 113 HB2 -0.01 0.04 0.01 -0.04 2.28 2.29 2dzbB1 PRO 113 HB3 -0.01 0.12 -0.08 -0.04 2.02 2.01 2dzbB1 PRO 113 HG2 -0.01 0.06 0.06 -0.04 2.03 2.10 2dzbB1 PRO 113 HG3 -0.01 0.02 -0.01 -0.04 2.03 1.99 2dzbB1 PRO 113 HD2 -0.01 0.08 0.22 -0.04 3.68 3.94 2dzbB1 PRO 113 HD3 -0.01 0.35 0.32 -0.04 3.65 4.27 2dzbB1 GLU 114 H -0.01 0.11 -0.18 -0.55 8.60 7.97 2dzbB1 GLU 114 HA -0.01 0.15 0.37 -0.75 4.29 4.04 2dzbB1 GLU 114 HB2 -0.01 -0.08 0.02 -0.04 2.09 1.98 2dzbB1 GLU 114 HB3 -0.00 0.09 -0.01 -0.04 1.99 2.02 2dzbB1 GLU 114 HG2 -0.00 0.05 0.00 -0.04 2.34 2.35 2dzbB1 GLU 114 HG3 -0.00 0.07 0.01 -0.04 2.34 2.38 2dzbB1 VAL 115 H -0.01 0.03 -0.30 -0.55 8.24 7.40 2dzbB1 VAL 115 HA -0.01 0.10 0.44 -0.75 4.13 3.91 2dzbB1 VAL 115 HB -0.01 0.03 0.12 -0.04 2.12 2.21 2dzbB1 VAL 115 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 2dzbB1 VAL 115 HG23 -0.01 -0.01 0.02 -0.04 0.95 0.91 2dzbB1 ALA 116 H -0.03 0.54 -0.06 -0.55 8.40 8.30 2dzbB1 ALA 116 HA -0.05 0.02 0.30 -0.75 4.34 3.86 2dzbB1 ALA 116 HB3 -0.05 0.02 -0.02 -0.04 1.41 1.32 2dzbB1 GLU 117 H -0.05 0.71 -0.17 -0.55 8.60 8.54 2dzbB1 GLU 117 HA -0.15 0.06 0.34 -0.75 4.29 3.78 2dzbB1 GLU 117 HB2 -0.03 0.04 0.10 -0.04 2.09 2.16 2dzbB1 GLU 117 HB3 -0.02 0.03 0.13 -0.04 1.99 2.09 2dzbB1 GLU 117 HG2 0.02 0.01 -0.17 -0.04 2.34 2.16 2dzbB1 GLU 117 HG3 0.03 0.03 0.01 -0.04 2.34 2.37 2dzbB1 GLU 118 H -0.03 0.41 -0.16 -0.55 8.60 8.28 2dzbB1 GLU 118 HA -0.01 0.05 0.42 -0.75 4.29 4.00 2dzbB1 GLU 118 HB2 -0.01 0.03 0.15 -0.04 2.09 2.21 2dzbB1 GLU 118 HB3 -0.01 -0.03 0.05 -0.04 1.99 1.96 2dzbB1 GLU 118 HG2 -0.01 0.33 0.17 -0.04 2.34 2.80 2dzbB1 GLU 118 HG3 -0.00 -0.08 0.04 -0.04 2.34 2.25 2dzbB1 ALA 119 H -0.04 0.61 -0.14 -0.55 8.40 8.28 2dzbB1 ALA 119 HA -0.03 0.00 0.42 -0.75 4.34 3.99 2dzbB1 ALA 119 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 2dzbB1 LEU 120 H -0.12 0.83 -0.06 -0.55 8.37 8.48 2dzbB1 LEU 120 HA -0.10 0.02 0.46 -0.75 4.35 3.97 2dzbB1 LEU 120 HB2 -0.50 0.05 0.10 -0.04 1.64 1.24 2dzbB1 LEU 120 HB3 -0.59 0.06 -0.05 -0.04 1.64 1.02 2dzbB1 LEU 120 HG -0.17 0.01 -0.05 -0.04 1.64 1.38 2dzbB1 LEU 120 HD13 -0.32 -0.02 -0.24 -0.04 0.93 0.31 2dzbB1 LEU 120 HD23 -0.09 -0.00 -0.18 -0.04 0.89 0.58 2dzbB1 LYS 121 H -0.02 0.49 -0.10 -0.55 8.42 8.24 2dzbB1 LYS 121 HA 0.15 0.09 0.44 -0.75 4.32 4.25 2dzbB1 LYS 121 HB2 0.04 0.02 0.09 -0.04 1.87 1.98 2dzbB1 LYS 121 HB3 0.05 -0.05 0.06 -0.04 1.79 1.82 2dzbB1 LYS 121 HG2 0.30 0.00 0.01 -0.04 1.46 1.73 2dzbB1 LYS 121 HG3 0.11 0.28 0.08 -0.04 1.46 1.88 2dzbB1 LYS 121 HD2 0.06 -0.01 -0.01 -0.04 1.69 1.69 2dzbB1 LYS 121 HD3 0.08 -0.06 -0.04 -0.04 1.68 1.63 2dzbB1 LYS 121 HE2 0.03 -0.06 -0.15 -0.04 2.99 2.77 2dzbB1 LYS 121 HE3 0.03 0.04 -0.02 -0.04 2.99 3.00 2dzbB1 LEU 122 H -0.01 0.22 -0.51 -0.55 8.37 7.51 2dzbB1 LEU 122 HA -0.00 0.06 0.54 -0.75 4.35 4.19 2dzbB1 LEU 122 HB2 -0.02 0.10 0.09 -0.04 1.64 1.76 2dzbB1 LEU 122 HB3 -0.01 -0.05 0.03 -0.04 1.64 1.57 2dzbB1 LEU 122 HG -0.01 0.21 0.06 -0.04 1.64 1.87 2dzbB1 LEU 122 HD13 -0.01 -0.06 -0.04 -0.04 0.93 0.79 2dzbB1 LEU 122 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2dzbB1 GLY 123 H -0.04 0.23 -0.32 -0.55 8.43 7.75 2dzbB1 GLY 123 HA2 -0.12 0.07 0.22 -0.51 4.01 3.67 2dzbB1 GLY 123 HA3 -0.10 0.16 0.93 -0.51 4.01 4.49 2dzbB1 ALA 124 H -0.09 0.24 0.15 -0.55 8.40 8.14 2dzbB1 ALA 124 HA -0.06 -0.03 0.35 -0.75 4.34 3.86 2dzbB1 ALA 124 HB3 -0.05 -0.03 -0.09 -0.04 1.41 1.19 2dzbB1 HIS 125 H 0.13 0.44 0.37 -0.55 8.41 8.82 2dzbB1 HIS 125 HA -0.07 0.28 0.87 -0.75 4.63 4.95 2dzbB1 HIS 125 HB2 -0.09 -0.07 0.03 -0.04 3.26 3.10 2dzbB1 HIS 125 HB3 -0.15 -0.02 0.02 -0.04 3.20 3.01 2dzbB1 HIS 125 HD2 -0.15 0.09 0.11 -0.04 6.97 6.98 2dzbB1 HIS 125 HE1 -0.04 0.02 -0.04 -0.04 7.75 7.65 2dzbB1 LEU 126 H 0.03 0.23 0.22 -0.55 8.37 8.30 2dzbB1 LEU 126 HA 0.02 0.30 0.73 -0.75 4.35 4.64 2dzbB1 LEU 126 HB2 0.01 0.12 -0.35 -0.04 1.64 1.38 2dzbB1 LEU 126 HB3 0.01 -0.16 -0.09 -0.04 1.64 1.36 2dzbB1 LEU 126 HG 0.00 -0.09 -0.41 -0.04 1.64 1.11 2dzbB1 LEU 126 HD13 0.03 0.07 -0.21 -0.04 0.93 0.78 2dzbB1 LEU 126 HD23 -0.01 -0.02 -0.27 -0.04 0.89 0.56 2dzbB1 LEU 127 H 0.01 0.69 0.20 -0.55 8.37 8.72 2dzbB1 LEU 127 HA -0.02 0.12 0.93 -0.75 4.35 4.63 2dzbB1 LEU 127 HB2 -0.02 0.06 -0.02 -0.04 1.64 1.62 2dzbB1 LEU 127 HB3 -0.01 0.10 0.21 -0.04 1.64 1.90 2dzbB1 LEU 127 HG -0.02 -0.10 -0.23 -0.04 1.64 1.25 2dzbB1 LEU 127 HD13 -0.03 0.01 -0.02 -0.04 0.93 0.85 2dzbB1 LEU 127 HD23 -0.03 -0.01 -0.07 -0.04 0.89 0.75 2dzbB1 ASN 128 H -0.01 0.60 0.17 -0.55 8.53 8.73 2dzbB1 ASN 128 HA -0.02 0.09 0.75 -0.75 4.76 4.83 2dzbB1 ASN 128 HB2 -0.01 0.02 -0.21 -0.04 2.88 2.63 2dzbB1 ASN 128 HB3 -0.01 -0.04 -0.07 -0.04 2.79 2.63 2dzbB1 ASN 128 HD21 -0.00 -0.00 -0.20 -0.04 7.03 6.78 2dzbB1 ASN 128 HD22 -0.01 -0.02 -0.21 -0.04 7.74 7.46 2dzbB1 ASP 129 H -0.03 0.50 0.17 -0.55 8.40 8.49 2dzbB1 ASP 129 HA -0.03 0.20 0.98 -0.75 4.63 5.03 2dzbB1 ASP 129 HB2 -0.02 0.10 -0.03 -0.04 2.71 2.72 2dzbB1 ASP 129 HB3 -0.02 0.15 0.19 -0.04 2.70 2.97 2dzbB1 VAL 130 H -0.06 0.20 0.01 -0.55 8.24 7.84 2dzbB1 VAL 130 HA -0.18 0.12 0.32 -0.75 4.13 3.64 2dzbB1 VAL 130 HB -0.37 0.07 -0.01 -0.04 2.12 1.77 2dzbB1 VAL 130 HG13 -0.11 0.01 -0.09 -0.04 0.97 0.73 2dzbB1 VAL 130 HG23 -0.04 -0.00 -0.12 -0.04 0.95 0.75 2dzbB1 THR 131 H -0.04 -0.01 -0.29 -0.55 8.28 7.38 2dzbB1 THR 131 HA -0.06 0.29 0.64 -0.75 4.39 4.50 2dzbB1 THR 131 HB -0.01 0.04 0.18 -0.04 4.32 4.50 2dzbB1 THR 131 HG23 -0.02 0.00 -0.02 -0.04 1.22 1.14 2dzbB1 GLY 132 H -0.01 0.29 -0.57 -0.55 8.43 7.59 2dzbB1 GLY 132 HA2 0.05 -0.00 0.36 -0.51 4.01 3.91 2dzbB1 GLY 132 HA3 0.24 0.16 0.32 -0.51 4.01 4.22 2dzbB1 LEU 133 H -0.00 -0.01 -0.14 -0.55 8.37 7.67 2dzbB1 LEU 133 HA -0.01 -0.10 0.22 -0.75 4.35 3.71 2dzbB1 LEU 133 HB2 -0.06 0.24 -0.15 -0.04 1.64 1.62 2dzbB1 LEU 133 HB3 -0.04 -0.01 0.11 -0.04 1.64 1.66 2dzbB1 LEU 133 HG -0.04 -0.00 -0.25 -0.04 1.64 1.31 2dzbB1 LEU 133 HD13 -0.04 0.02 -0.14 -0.04 0.93 0.72 2dzbB1 LEU 133 HD23 -0.02 -0.03 -0.12 -0.04 0.89 0.68 2dzbB1 ARG 134 H 0.03 0.17 -0.36 -0.55 8.46 7.74 2dzbB1 ARG 134 HA 0.02 0.17 0.46 -0.75 4.34 4.23 2dzbB1 ARG 134 HB2 0.03 -0.09 0.09 -0.04 1.90 1.89 2dzbB1 ARG 134 HB3 0.04 -0.07 0.01 -0.04 1.80 1.74 2dzbB1 ARG 134 HG2 0.16 -0.01 0.04 -0.04 1.67 1.81 2dzbB1 ARG 134 HG3 0.16 0.35 0.10 -0.04 1.67 2.24 2dzbB1 ARG 134 HD2 0.03 -0.03 0.07 -0.04 3.22 3.25 2dzbB1 ARG 134 HD3 0.05 -0.10 0.04 -0.04 3.22 3.17 2dzbB1 ASP 135 H 0.00 -0.00 -0.15 -0.55 8.40 7.71 2dzbB1 ASP 135 HA 0.00 0.12 0.59 -0.75 4.63 4.59 2dzbB1 ASP 135 HB2 -0.00 0.09 0.11 -0.04 2.71 2.87 2dzbB1 ASP 135 HB3 -0.00 -0.05 0.15 -0.04 2.70 2.76 2dzbB1 GLU 136 H -0.00 0.25 0.21 -0.55 8.60 8.51 2dzbB1 GLU 136 HA -0.01 0.18 0.32 -0.75 4.29 4.03 2dzbB1 GLU 136 HB2 -0.00 -0.06 0.10 -0.04 2.09 2.10 2dzbB1 GLU 136 HB3 -0.00 0.05 0.06 -0.04 1.99 2.06 2dzbB1 GLU 136 HG2 -0.01 0.09 0.06 -0.04 2.34 2.44 2dzbB1 GLU 136 HG3 -0.00 0.06 0.14 -0.04 2.34 2.49 2dzbB1 ARG 137 H -0.00 0.03 -0.39 -0.55 8.46 7.54 2dzbB1 ARG 137 HA 0.00 0.16 0.47 -0.75 4.34 4.22 2dzbB1 ARG 137 HB2 -0.00 -0.06 0.03 -0.04 1.90 1.83 2dzbB1 ARG 137 HB3 -0.00 0.02 -0.00 -0.04 1.80 1.78 2dzbB1 ARG 137 HG2 0.00 0.09 0.00 -0.04 1.67 1.72 2dzbB1 ARG 137 HG3 0.00 -0.04 0.01 -0.04 1.67 1.60 2dzbB1 ARG 137 HD2 0.00 -0.00 -0.00 -0.04 3.22 3.17 2dzbB1 ARG 137 HD3 0.00 0.05 0.00 -0.04 3.22 3.24 2dzbB1 MET 138 H -0.01 0.31 -0.18 -0.55 8.47 8.04 2dzbB1 MET 138 HA -0.02 0.06 0.46 -0.75 4.52 4.27 2dzbB1 MET 138 HB2 -0.01 0.11 0.03 -0.04 2.15 2.24 2dzbB1 MET 138 HB3 -0.02 0.04 -0.04 -0.04 2.03 1.97 2dzbB1 MET 138 HG2 -0.02 -0.09 -0.14 -0.04 2.63 2.34 2dzbB1 MET 138 HG3 -0.01 -0.02 -0.00 -0.04 2.56 2.48 2dzbB1 MET 138 HE3 -0.02 -0.03 -0.46 -0.04 2.10 1.54 2dzbB1 VAL 139 H -0.01 0.24 -0.26 -0.55 8.24 7.66 2dzbB1 VAL 139 HA -0.01 0.08 0.38 -0.75 4.13 3.83 2dzbB1 VAL 139 HB -0.01 0.06 0.11 -0.04 2.12 2.24 2dzbB1 VAL 139 HG13 -0.01 0.03 -0.12 -0.04 0.97 0.82 2dzbB1 VAL 139 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.84 2dzbB1 ALA 140 H 0.00 0.46 -0.12 -0.55 8.40 8.19 2dzbB1 ALA 140 HA 0.01 0.13 0.34 -0.75 4.34 4.07 2dzbB1 ALA 140 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2dzbB1 LEU 141 H 0.01 0.41 -0.26 -0.55 8.37 7.98 2dzbB1 LEU 141 HA 0.09 0.03 0.39 -0.75 4.35 4.11 2dzbB1 LEU 141 HB2 -0.02 0.04 0.15 -0.04 1.64 1.78 2dzbB1 LEU 141 HB3 -0.08 0.01 -0.13 -0.04 1.64 1.40 2dzbB1 LEU 141 HG 0.02 -0.00 0.02 -0.04 1.64 1.64 2dzbB1 LEU 141 HD13 -0.05 -0.06 -0.04 -0.04 0.93 0.74 2dzbB1 LEU 141 HD23 0.02 0.01 -0.00 -0.04 0.89 0.88 2dzbB1 ALA 142 H 0.01 0.52 -0.21 -0.55 8.40 8.17 2dzbB1 ALA 142 HA 0.02 -0.03 0.33 -0.75 4.34 3.91 2dzbB1 ALA 142 HB3 0.01 0.06 0.08 -0.04 1.41 1.52 2dzbB1 ALA 143 H 0.04 0.53 -0.22 -0.55 8.40 8.19 2dzbB1 ALA 143 HA 0.04 0.09 0.25 -0.75 4.34 3.97 2dzbB1 ALA 143 HB3 0.02 -0.01 -0.06 -0.04 1.41 1.32 2dzbB1 ARG 144 H 0.08 0.55 -0.09 -0.55 8.46 8.45 2dzbB1 ARG 144 HA 0.02 0.02 0.42 -0.75 4.34 4.04 2dzbB1 ARG 144 HB2 0.21 0.02 0.16 -0.04 1.90 2.24 2dzbB1 ARG 144 HB3 0.02 -0.08 0.01 -0.04 1.80 1.71 2dzbB1 ARG 144 HG2 0.03 -0.02 0.04 -0.04 1.67 1.67 2dzbB1 ARG 144 HG3 0.06 0.23 -0.06 -0.04 1.67 1.85 2dzbB1 ARG 144 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.18 2dzbB1 ARG 144 HD3 0.02 -0.06 -0.03 -0.04 3.22 3.11 2dzbB1 HIS 145 H 0.28 0.55 -0.15 -0.55 8.41 8.55 2dzbB1 HIS 145 HA 0.02 0.09 0.61 -0.75 4.63 4.60 2dzbB1 HIS 145 HB2 0.02 0.03 0.00 -0.04 3.26 3.27 2dzbB1 HIS 145 HB3 0.01 0.03 0.05 -0.04 3.20 3.25 2dzbB1 HIS 145 HD2 -0.02 0.17 -0.23 -0.04 6.97 6.85 2dzbB1 HIS 145 HE1 -0.00 -0.10 -0.05 -0.04 7.75 7.56 2dzbB1 GLY 146 H 0.11 0.29 -0.58 -0.55 8.43 7.70 2dzbB1 GLY 146 HA2 0.10 0.06 0.38 -0.51 4.01 4.05 2dzbB1 GLY 146 HA3 0.15 -0.02 0.41 -0.51 4.01 4.03 2dzbB1 VAL 147 H 0.13 0.60 0.08 -0.55 8.24 8.51 2dzbB1 VAL 147 HA 0.23 0.11 0.99 -0.75 4.13 4.70 2dzbB1 VAL 147 HB 0.07 -0.09 -0.05 -0.04 2.12 1.99 2dzbB1 VAL 147 HG13 0.03 0.11 -0.30 -0.04 0.97 0.77 2dzbB1 VAL 147 HG23 0.07 0.06 -0.26 -0.04 0.95 0.77 2dzbB1 ALA 148 H 0.18 0.19 0.18 -0.55 8.40 8.41 2dzbB1 ALA 148 HA 0.12 0.14 0.59 -0.75 4.34 4.43 2dzbB1 ALA 148 HB3 0.14 -0.01 0.07 -0.04 1.41 1.57 2dzbB1 ALA 149 H 0.03 0.51 0.37 -0.55 8.40 8.77 2dzbB1 ALA 149 HA 0.01 0.15 1.03 -0.75 4.34 4.78 2dzbB1 ALA 149 HB3 -0.00 0.00 -0.01 -0.04 1.41 1.36 2dzbB1 VAL 150 H -0.01 0.74 0.38 -0.55 8.24 8.80 2dzbB1 VAL 150 HA -0.01 0.21 0.86 -0.75 4.13 4.43 2dzbB1 VAL 150 HB -0.02 -0.20 0.17 -0.04 2.12 2.03 2dzbB1 VAL 150 HG13 -0.01 -0.00 -0.39 -0.04 0.97 0.53 2dzbB1 VAL 150 HG23 -0.00 0.01 -0.21 -0.04 0.95 0.70 2dzbB1 VAL 151 H -0.04 0.85 0.30 -0.55 8.24 8.81 2dzbB1 VAL 151 HA -0.03 0.04 0.82 -0.75 4.13 4.21 2dzbB1 VAL 151 HB -0.08 0.02 0.14 -0.04 2.12 2.16 2dzbB1 VAL 151 HG13 -0.10 -0.00 -0.17 -0.04 0.97 0.66 2dzbB1 VAL 151 HG23 -0.10 0.00 -0.24 -0.04 0.95 0.58 2dzbB1 MET 152 H -0.01 0.24 0.13 -0.55 8.47 8.29 2dzbB1 MET 152 HA 0.01 0.34 0.94 -0.75 4.52 5.06 2dzbB1 MET 152 HB2 -0.08 -0.08 -0.15 -0.04 2.15 1.80 2dzbB1 MET 152 HB3 -0.15 -0.01 -0.00 -0.04 2.03 1.83 2dzbB1 MET 152 HG2 -0.17 0.25 -0.10 -0.04 2.63 2.56 2dzbB1 MET 152 HG3 -0.08 -0.17 -0.05 -0.04 2.56 2.23 2dzbB1 MET 152 HE3 -1.28 0.07 -0.08 -0.04 2.10 0.76 2dzbB1 HIS 153 H 0.08 0.31 0.11 -0.55 8.41 8.36 2dzbB1 HIS 153 HA 0.02 0.14 0.78 -0.75 4.63 4.82 2dzbB1 HIS 153 HB2 0.14 -0.01 0.02 -0.04 3.26 3.37 2dzbB1 HIS 153 HB3 -0.05 0.08 0.06 -0.04 3.20 3.24 2dzbB1 HIS 153 HD2 -0.36 -0.00 -0.03 -0.04 6.97 6.53 2dzbB1 HIS 153 HE1 0.16 0.01 -0.13 -0.04 7.75 7.74 2dzbB1 MET 154 H -0.84 0.28 0.09 -0.55 8.47 7.45 2dzbB1 MET 154 HA -0.13 0.19 0.50 -0.75 4.52 4.33 2dzbB1 MET 154 HB2 -0.27 0.01 -0.16 -0.04 2.15 1.69 2dzbB1 MET 154 HB3 -0.22 0.06 0.01 -0.04 2.03 1.84 2dzbB1 MET 154 HG2 -0.07 0.21 -0.26 -0.04 2.63 2.47 2dzbB1 MET 154 HG3 0.12 -0.08 -0.12 -0.04 2.56 2.44 2dzbB1 MET 154 HE3 0.21 -0.04 -0.02 -0.04 2.10 2.22 2dzbB1 PRO 155 HA -0.27 0.12 0.34 -0.51 4.44 4.13 2dzbB1 PRO 155 HB2 -0.07 -0.03 0.17 -0.04 2.28 2.31 2dzbB1 PRO 155 HB3 -0.05 0.05 0.11 -0.04 2.02 2.08 2dzbB1 PRO 155 HG2 -0.01 -0.10 0.13 -0.04 2.03 2.02 2dzbB1 PRO 155 HG3 0.05 0.21 0.04 -0.04 2.03 2.30 2dzbB1 PRO 155 HD2 0.06 0.07 -0.23 -0.04 3.68 3.54 2dzbB1 PRO 155 HD3 0.14 0.22 0.02 -0.04 3.65 3.98 2dzbB1 ALA 164 HA -0.15 -0.02 0.15 -0.75 4.34 3.56 2dzbB1 ALA 164 HB3 -0.02 -0.02 1.60 -0.04 1.41 2.93 2dzbB1 HIS 165 H -0.18 0.09 0.09 -0.55 8.41 7.86 2dzbB1 HIS 165 HA -0.03 0.01 0.42 -0.75 4.63 4.27 2dzbB1 HIS 165 HB2 -0.10 -0.01 0.23 -0.04 3.26 3.34 2dzbB1 HIS 165 HB3 -0.10 0.01 0.04 -0.04 3.20 3.10 2dzbB1 HIS 165 HD2 -0.05 0.00 0.04 -0.04 6.97 6.93 2dzbB1 HIS 165 HE1 -0.02 0.01 -0.01 -0.04 7.75 7.68 2dzbB1 ALA 166 H 0.08 0.15 0.18 -0.55 8.40 8.27 2dzbB1 ALA 166 HA 0.06 0.40 0.63 -0.75 4.34 4.67 2dzbB1 ALA 166 HB3 0.22 -0.06 -0.02 -0.04 1.41 1.51 2dzbB1 ARG 167 H -0.42 0.51 -0.09 -0.55 8.46 7.91 2dzbB1 ARG 167 HA 0.08 0.07 0.72 -0.75 4.34 4.46 2dzbB1 ARG 167 HB2 -0.14 0.01 -0.02 -0.04 1.90 1.70 2dzbB1 ARG 167 HB3 -0.04 0.02 -0.04 -0.04 1.80 1.70 2dzbB1 ARG 167 HG2 0.04 0.10 -0.08 -0.04 1.67 1.68 2dzbB1 ARG 167 HG3 0.01 -0.15 -0.66 -0.04 1.67 0.83 2dzbB1 ARG 167 HD2 -0.09 -0.01 -0.09 -0.04 3.22 2.99 2dzbB1 ARG 167 HD3 -0.03 0.02 -0.06 -0.04 3.22 3.11 2dzbB1 TYR 168 H 0.17 0.26 0.12 -0.55 8.29 8.28 2dzbB1 TYR 168 HA -0.04 0.20 0.77 -0.75 4.56 4.74 2dzbB1 TYR 168 HB2 -0.14 -0.09 -0.06 -0.04 3.06 2.73 2dzbB1 TYR 168 HB3 -0.08 -0.09 -0.17 -0.04 2.98 2.60 2dzbB1 TYR 168 HD2 -0.50 -0.08 -0.14 -0.04 7.15 6.40 2dzbB1 TYR 168 HE2 -0.15 0.04 0.01 -0.04 6.85 6.72 2dzbB1 ARG 169 H 0.09 0.18 0.08 -0.55 8.46 8.26 2dzbB1 ARG 169 HA 0.06 0.15 0.69 -0.75 4.34 4.48 2dzbB1 ARG 169 HB2 0.05 -0.08 0.09 -0.04 1.90 1.92 2dzbB1 ARG 169 HB3 0.04 0.06 -0.01 -0.04 1.80 1.84 2dzbB1 ARG 169 HG2 0.03 0.04 0.03 -0.04 1.67 1.72 2dzbB1 ARG 169 HG3 0.03 -0.02 0.06 -0.04 1.67 1.70 2dzbB1 ARG 169 HD2 0.02 0.02 0.00 -0.04 3.22 3.22 2dzbB1 ARG 169 HD3 0.02 0.03 0.00 -0.04 3.22 3.23 2dzbB1 ASP 170 H 0.08 0.12 -0.12 -0.55 8.40 7.93 2dzbB1 ASP 170 HA 0.04 0.16 0.42 -0.75 4.63 4.50 2dzbB1 ASP 170 HB2 0.03 0.18 -0.11 -0.04 2.71 2.77 2dzbB1 ASP 170 HB3 0.02 -0.03 0.13 -0.04 2.70 2.79 2dzbB1 VAL 171 H -0.03 0.25 -0.05 -0.55 8.24 7.86 2dzbB1 VAL 171 HA -0.42 0.08 0.32 -0.75 4.13 3.35 2dzbB1 VAL 171 HB -0.56 -0.00 0.06 -0.04 2.12 1.58 2dzbB1 VAL 171 HG13 -0.06 0.02 0.01 -0.04 0.97 0.89 2dzbB1 VAL 171 HG23 -0.94 0.03 -0.08 -0.04 0.95 -0.08 2dzbB1 VAL 172 H -0.07 0.09 -0.19 -0.55 8.24 7.52 2dzbB1 VAL 172 HA -0.11 0.13 0.37 -0.75 4.13 3.76 2dzbB1 VAL 172 HB -0.02 -0.06 0.03 -0.04 2.12 2.03 2dzbB1 VAL 172 HG13 -0.01 0.04 -0.16 -0.04 0.97 0.80 2dzbB1 VAL 172 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 2dzbB1 ALA 173 H -0.02 0.05 -0.16 -0.55 8.40 7.73 2dzbB1 ALA 173 HA -0.00 0.11 0.38 -0.75 4.34 4.07 2dzbB1 ALA 173 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2dzbB1 GLU 174 H -0.02 0.54 -0.14 -0.55 8.60 8.43 2dzbB1 GLU 174 HA 0.05 0.05 0.45 -0.75 4.29 4.08 2dzbB1 GLU 174 HB2 0.01 0.03 0.08 -0.04 2.09 2.17 2dzbB1 GLU 174 HB3 0.12 0.02 -0.00 -0.04 1.99 2.09 2dzbB1 GLU 174 HG2 0.07 0.04 0.02 -0.04 2.34 2.44 2dzbB1 GLU 174 HG3 0.05 0.05 0.06 -0.04 2.34 2.46 2dzbB1 VAL 175 H -0.17 0.67 -0.06 -0.55 8.24 8.13 2dzbB1 VAL 175 HA -0.23 0.03 0.46 -0.75 4.13 3.63 2dzbB1 VAL 175 HB -0.25 0.05 0.16 -0.04 2.12 2.04 2dzbB1 VAL 175 HG13 -0.19 -0.01 -0.10 -0.04 0.97 0.63 2dzbB1 VAL 175 HG23 -0.94 0.00 0.02 -0.04 0.95 -0.01 2dzbB1 LYS 176 H -0.04 0.61 -0.13 -0.55 8.42 8.31 2dzbB1 LYS 176 HA 0.01 0.04 0.41 -0.75 4.32 4.03 2dzbB1 LYS 176 HB2 0.00 0.05 0.14 -0.04 1.87 2.02 2dzbB1 LYS 176 HB3 0.01 0.01 -0.02 -0.04 1.79 1.76 2dzbB1 LYS 176 HG2 -0.01 -0.05 -0.05 -0.04 1.46 1.31 2dzbB1 LYS 176 HG3 -0.02 0.18 -0.01 -0.04 1.46 1.57 2dzbB1 LYS 176 HD2 0.01 0.16 -0.16 -0.04 1.69 1.67 2dzbB1 LYS 176 HD3 0.01 -0.07 -0.21 -0.04 1.68 1.36 2dzbB1 LYS 176 HE2 0.00 -0.11 -0.16 -0.04 2.99 2.69 2dzbB1 LYS 176 HE3 0.01 0.02 -0.05 -0.04 2.99 2.93 2dzbB1 ALA 177 H 0.04 0.54 -0.11 -0.55 8.40 8.32 2dzbB1 ALA 177 HA 0.03 0.03 0.41 -0.75 4.34 4.06 2dzbB1 ALA 177 HB3 0.06 0.01 0.11 -0.04 1.41 1.54 2dzbB1 PHE 178 H 0.21 0.47 -0.22 -0.55 8.34 8.25 2dzbB1 PHE 178 HA 0.04 0.00 0.43 -0.75 4.62 4.34 2dzbB1 PHE 178 HB2 0.14 -0.01 0.11 -0.04 3.15 3.34 2dzbB1 PHE 178 HB3 0.16 0.09 0.15 -0.04 3.06 3.42 2dzbB1 PHE 178 HD2 0.10 -0.01 -0.09 -0.04 7.28 7.23 2dzbB1 PHE 178 HE2 -0.03 0.06 -0.08 -0.04 7.38 7.30 2dzbB1 PHE 178 HZ -0.06 0.06 -0.01 -0.04 7.32 7.28 2dzbB1 LEU 179 H 0.15 0.61 -0.09 -0.55 8.37 8.49 2dzbB1 LEU 179 HA -0.14 0.01 0.35 -0.75 4.35 3.83 2dzbB1 LEU 179 HB2 0.02 0.10 0.15 -0.04 1.64 1.88 2dzbB1 LEU 179 HB3 -0.02 -0.03 -0.03 -0.04 1.64 1.52 2dzbB1 LEU 179 HG 0.17 0.16 0.04 -0.04 1.64 1.97 2dzbB1 LEU 179 HD13 0.01 -0.05 -0.17 -0.04 0.93 0.68 2dzbB1 LEU 179 HD23 0.11 -0.01 -0.09 -0.04 0.89 0.86 2dzbB1 GLU 180 H -0.01 0.62 -0.14 -0.55 8.60 8.51 2dzbB1 GLU 180 HA -0.02 0.06 0.43 -0.75 4.29 4.00 2dzbB1 GLU 180 HB2 0.02 0.07 0.12 -0.04 2.09 2.26 2dzbB1 GLU 180 HB3 0.00 0.01 0.15 -0.04 1.99 2.11 2dzbB1 GLU 180 HG2 0.02 -0.03 -0.01 -0.04 2.34 2.28 2dzbB1 GLU 180 HG3 0.01 -0.05 -0.17 -0.04 2.34 2.10 2dzbB1 ALA 181 H -0.07 0.58 -0.05 -0.55 8.40 8.31 2dzbB1 ALA 181 HA -0.06 -0.01 0.41 -0.75 4.34 3.92 2dzbB1 ALA 181 HB3 -0.07 0.01 0.13 -0.04 1.41 1.43 2dzbB1 GLN 182 H -0.34 0.61 -0.15 -0.55 8.47 8.04 2dzbB1 GLN 182 HA -0.20 0.00 0.45 -0.75 4.36 3.86 2dzbB1 GLN 182 HB2 -0.42 0.06 0.08 -0.04 2.15 1.83 2dzbB1 GLN 182 HB3 -0.27 0.00 -0.01 -0.04 2.02 1.70 2dzbB1 GLN 182 HG2 -1.20 0.21 0.10 -0.04 2.40 1.47 2dzbB1 GLN 182 HG3 -1.08 0.03 0.01 -0.04 2.39 1.31 2dzbB1 GLN 182 HE21 -0.08 -0.08 -0.07 -0.04 6.97 6.70 2dzbB1 GLN 182 HE22 -0.15 0.34 -0.07 -0.04 7.69 7.76 2dzbB1 ALA 183 H -0.19 0.55 -0.18 -0.55 8.40 8.03 2dzbB1 ALA 183 HA -0.18 -0.03 0.38 -0.75 4.34 3.76 2dzbB1 ALA 183 HB3 -0.37 0.04 0.09 -0.04 1.41 1.14 2dzbB1 ARG 184 H -0.08 0.55 -0.16 -0.55 8.46 8.22 2dzbB1 ARG 184 HA -0.01 0.03 0.47 -0.75 4.34 4.07 2dzbB1 ARG 184 HB2 -0.03 0.12 0.16 -0.04 1.90 2.11 2dzbB1 ARG 184 HB3 -0.01 -0.06 -0.02 -0.04 1.80 1.67 2dzbB1 ARG 184 HG2 0.02 -0.04 0.03 -0.04 1.67 1.64 2dzbB1 ARG 184 HG3 0.03 0.03 0.02 -0.04 1.67 1.71 2dzbB1 ARG 184 HD2 -0.00 0.03 -0.09 -0.04 3.22 3.12 2dzbB1 ARG 184 HD3 0.00 -0.06 -0.01 -0.04 3.22 3.11 2dzbB1 ARG 185 H -0.07 0.55 -0.10 -0.55 8.46 8.28 2dzbB1 ARG 185 HA -0.03 -0.03 0.38 -0.75 4.34 3.90 2dzbB1 ARG 185 HB2 -0.06 0.05 0.16 -0.04 1.90 2.01 2dzbB1 ARG 185 HB3 -0.08 0.15 0.17 -0.04 1.80 2.01 2dzbB1 ARG 185 HG2 -0.03 -0.03 -0.11 -0.04 1.67 1.46 2dzbB1 ARG 185 HG3 -0.03 -0.06 0.04 -0.04 1.67 1.57 2dzbB1 ARG 185 HD2 -0.05 0.11 -0.01 -0.04 3.22 3.23 2dzbB1 ARG 185 HD3 -0.03 -0.09 -0.00 -0.04 3.22 3.06 2dzbB1 ALA 186 H -0.07 0.60 -0.24 -0.55 8.40 8.14 2dzbB1 ALA 186 HA -0.03 -0.04 0.37 -0.75 4.34 3.89 2dzbB1 ALA 186 HB3 -0.05 0.02 0.04 -0.04 1.41 1.38 2dzbB1 LEU 187 H -0.03 0.65 -0.01 -0.55 8.37 8.44 2dzbB1 LEU 187 HA -0.01 0.23 0.44 -0.75 4.35 4.26 2dzbB1 LEU 187 HB2 0.01 -0.01 0.17 -0.04 1.64 1.77 2dzbB1 LEU 187 HB3 0.01 -0.03 -0.01 -0.04 1.64 1.57 2dzbB1 LEU 187 HG -0.00 0.13 0.04 -0.04 1.64 1.77 2dzbB1 LEU 187 HD13 0.14 -0.03 -0.04 -0.04 0.93 0.96 2dzbB1 LEU 187 HD23 0.03 0.00 -0.11 -0.04 0.89 0.77 2dzbB1 SER 188 H -0.01 0.67 -0.07 -0.55 8.46 8.50 2dzbB1 SER 188 HA -0.01 -0.01 0.35 -0.75 4.49 4.07 2dzbB1 SER 188 HB2 -0.01 0.15 0.10 -0.04 3.95 4.14 2dzbB1 SER 188 HB3 -0.01 -0.10 0.05 -0.04 3.93 3.83 2dzbB1 ALA 189 H -0.01 0.27 -0.72 -0.55 8.40 7.39 2dzbB1 ALA 189 HA -0.01 0.06 0.65 -0.75 4.34 4.29 2dzbB1 ALA 189 HB3 -0.01 -0.01 0.07 -0.04 1.41 1.42 2dzbB1 GLY 190 H -0.01 0.68 -0.23 -0.55 8.43 8.32 2dzbB1 GLY 190 HA2 -0.01 -0.00 0.25 -0.51 4.01 3.73 2dzbB1 GLY 190 HA3 -0.00 0.12 0.82 -0.51 4.01 4.43 2dzbB1 VAL 191 H -0.00 0.37 -0.02 -0.55 8.24 8.04 2dzbB1 VAL 191 HA 0.03 0.09 0.31 -0.75 4.13 3.80 2dzbB1 VAL 191 HB -0.00 -0.06 -0.25 -0.04 2.12 1.76 2dzbB1 VAL 191 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.86 2dzbB1 VAL 191 HG23 0.00 -0.01 -0.01 -0.04 0.95 0.90 2dzbB1 PRO 192 HA -0.06 0.07 0.37 -0.51 4.44 4.31 2dzbB1 PRO 192 HB2 -0.18 -0.06 -0.08 -0.04 2.28 1.92 2dzbB1 PRO 192 HB3 -0.15 0.06 0.06 -0.04 2.02 1.95 2dzbB1 PRO 192 HG2 0.18 -0.11 -0.33 -0.04 2.03 1.73 2dzbB1 PRO 192 HG3 0.21 0.10 -0.48 -0.04 2.03 1.82 2dzbB1 PRO 192 HD2 0.07 0.20 0.03 -0.04 3.68 3.95 2dzbB1 PRO 192 HD3 0.05 0.23 0.20 -0.04 3.65 4.08 2dzbB1 GLN 193 H 0.07 0.21 -0.18 -0.55 8.47 8.02 2dzbB1 GLN 193 HA 0.05 0.16 0.56 -0.75 4.36 4.37 2dzbB1 GLN 193 HB2 0.07 0.13 -0.18 -0.04 2.15 2.13 2dzbB1 GLN 193 HB3 0.15 -0.10 -0.05 -0.04 2.02 1.98 2dzbB1 GLN 193 HG2 0.10 0.01 -0.13 -0.04 2.40 2.35 2dzbB1 GLN 193 HG3 0.10 0.05 0.17 -0.04 2.39 2.67 2dzbB1 GLN 193 HE21 0.09 0.31 0.21 -0.04 6.97 7.53 2dzbB1 GLN 193 HE22 0.08 0.03 0.12 -0.04 7.69 7.88 2dzbB1 VAL 194 H 0.08 0.27 0.19 -0.55 8.24 8.23 2dzbB1 VAL 194 HA -0.00 0.25 1.13 -0.75 4.13 4.75 2dzbB1 VAL 194 HB -0.20 -0.00 0.07 -0.04 2.12 1.96 2dzbB1 VAL 194 HG13 -0.14 -0.00 -0.14 -0.04 0.97 0.64 2dzbB1 VAL 194 HG23 -0.05 0.01 -0.19 -0.04 0.95 0.68 2dzbB1 VAL 195 H -0.01 0.54 0.32 -0.55 8.24 8.54 2dzbB1 VAL 195 HA 0.04 0.36 0.86 -0.75 4.13 4.63 2dzbB1 VAL 195 HB 0.01 -0.15 -0.02 -0.04 2.12 1.92 2dzbB1 VAL 195 HG13 0.02 0.00 -0.37 -0.04 0.97 0.58 2dzbB1 VAL 195 HG23 0.04 0.01 -0.24 -0.04 0.95 0.72 2dzbB1 LEU 196 H 0.03 0.62 0.24 -0.55 8.37 8.71 2dzbB1 LEU 196 HA -0.03 0.23 0.91 -0.75 4.35 4.71 2dzbB1 LEU 196 HB2 0.03 0.03 0.04 -0.04 1.64 1.69 2dzbB1 LEU 196 HB3 0.00 -0.05 -0.01 -0.04 1.64 1.54 2dzbB1 LEU 196 HG -0.04 0.06 -0.10 -0.04 1.64 1.52 2dzbB1 LEU 196 HD13 0.05 0.01 -0.10 -0.04 0.93 0.85 2dzbB1 LEU 196 HD23 -0.18 -0.01 -0.15 -0.04 0.89 0.51 2dzbB1 ASP 197 H 0.01 0.63 0.29 -0.55 8.40 8.78 2dzbB1 ASP 197 HA 0.02 0.39 0.90 -0.75 4.63 5.18 2dzbB1 ASP 197 HB2 0.01 0.03 -0.32 -0.04 2.71 2.39 2dzbB1 ASP 197 HB3 -0.01 -0.06 -0.05 -0.04 2.70 2.55 2dzbB1 PRO 198 HA -0.09 0.12 0.47 -0.51 4.44 4.43 2dzbB1 PRO 198 HB2 -0.56 -0.02 -0.05 -0.04 2.28 1.60 2dzbB1 PRO 198 HB3 -0.22 0.07 0.05 -0.04 2.02 1.88 2dzbB1 PRO 198 HG2 -0.78 -0.14 0.00 -0.04 2.03 1.07 2dzbB1 PRO 198 HG3 -0.28 0.08 0.00 -0.04 2.03 1.79 2dzbB1 PRO 198 HD2 0.01 0.29 0.35 -0.04 3.68 4.28 2dzbB1 PRO 198 HD3 -0.03 0.20 0.10 -0.04 3.65 3.88 2dzbB1 GLY 199 H -0.07 0.02 -0.45 -0.55 8.43 7.39 2dzbB1 GLY 199 HA2 0.06 -0.04 0.27 -0.51 4.01 3.79 2dzbB1 GLY 199 HA3 0.01 0.42 0.43 -0.51 4.01 4.35 2dzbB1 PHE 200 H 0.15 -0.00 0.00 -0.55 8.34 7.93 2dzbB1 PHE 200 HA 0.12 0.05 0.29 -0.75 4.62 4.33 2dzbB1 PHE 200 HB2 0.12 0.11 0.10 -0.04 3.15 3.44 2dzbB1 PHE 200 HB3 0.07 -0.06 0.00 -0.04 3.06 3.03 2dzbB1 PHE 200 HD2 0.07 -0.12 0.01 -0.04 7.28 7.20 2dzbB1 PHE 200 HE2 0.06 0.07 -0.01 -0.04 7.38 7.45 2dzbB1 PHE 200 HZ 0.06 0.10 -0.17 -0.04 7.32 7.27 2dzbB1 GLY 201 H 0.22 0.10 0.10 -0.55 8.43 8.30 2dzbB1 GLY 201 HA2 0.06 0.00 0.38 -0.51 4.01 3.94 2dzbB1 GLY 201 HA3 -0.02 0.05 0.51 -0.51 4.01 4.05 2dzbB1 PHE 202 H 0.34 0.57 -0.53 -0.55 8.34 8.17 2dzbB1 PHE 202 HA 0.04 0.04 0.66 -0.75 4.62 4.61 2dzbB1 PHE 202 HB2 0.04 0.32 0.22 -0.04 3.15 3.70 2dzbB1 PHE 202 HB3 0.00 -0.04 0.03 -0.04 3.06 3.01 2dzbB1 PHE 202 HD2 0.03 0.07 -0.18 -0.04 7.28 7.16 2dzbB1 PHE 202 HE2 0.04 -0.09 -0.05 -0.04 7.38 7.24 2dzbB1 PHE 202 HZ 0.04 -0.07 -0.06 -0.04 7.32 7.19 2dzbB1 GLY 203 H 0.05 0.26 0.13 -0.55 8.43 8.33 2dzbB1 GLY 203 HA2 0.07 0.23 0.12 -0.51 4.01 3.92 2dzbB1 GLY 203 HA3 0.11 0.02 0.17 -0.51 4.01 3.80 2dzbB1 LYS 204 H 0.13 0.24 -0.38 -0.55 8.42 7.85 2dzbB1 LYS 204 HA 0.39 0.09 0.74 -0.75 4.32 4.78 2dzbB1 LYS 204 HB2 0.17 -0.21 -0.16 -0.04 1.87 1.63 2dzbB1 LYS 204 HB3 0.20 -0.10 -0.14 -0.04 1.79 1.71 2dzbB1 LYS 204 HG2 0.01 -0.04 -0.17 -0.04 1.46 1.22 2dzbB1 LYS 204 HG3 0.21 0.37 -0.80 -0.04 1.46 1.20 2dzbB1 LYS 204 HD2 0.10 -0.09 -0.14 -0.04 1.69 1.51 2dzbB1 LYS 204 HD3 -0.04 -0.16 -0.22 -0.04 1.68 1.22 2dzbB1 LYS 204 HE2 -0.16 0.09 -0.07 -0.04 2.99 2.81 2dzbB1 LYS 204 HE3 -0.13 -0.13 -0.11 -0.04 2.99 2.58 2dzbB1 LEU 205 H 0.70 0.12 0.10 -0.55 8.37 8.75 2dzbB1 LEU 205 HA 0.07 0.22 0.64 -0.75 4.35 4.53 2dzbB1 LEU 205 HB2 -0.25 -0.10 0.08 -0.04 1.64 1.32 2dzbB1 LEU 205 HB3 -0.04 -0.04 0.18 -0.04 1.64 1.70 2dzbB1 LEU 205 HG 0.22 0.04 0.07 -0.04 1.64 1.93 2dzbB1 LEU 205 HD13 0.01 0.02 0.07 -0.04 0.93 0.99 2dzbB1 LEU 205 HD23 0.06 0.03 0.00 -0.04 0.89 0.94 2dzbB1 LEU 206 H -0.02 0.24 0.16 -0.55 8.37 8.21 2dzbB1 LEU 206 HA 0.01 0.05 0.37 -0.75 4.35 4.02 2dzbB1 LEU 206 HB2 -0.02 0.06 0.14 -0.04 1.64 1.78 2dzbB1 LEU 206 HB3 -0.04 -0.02 0.15 -0.04 1.64 1.69 2dzbB1 LEU 206 HG -0.04 0.01 -0.25 -0.04 1.64 1.32 2dzbB1 LEU 206 HD13 -0.03 -0.01 0.03 -0.04 0.93 0.89 2dzbB1 LEU 206 HD23 -0.03 0.03 -0.03 -0.04 0.89 0.82 2dzbB1 GLU 207 H -0.12 0.13 -0.12 -0.55 8.60 7.94 2dzbB1 GLU 207 HA -0.06 0.11 0.37 -0.75 4.29 3.95 2dzbB1 GLU 207 HB2 -0.10 0.07 0.01 -0.04 2.09 2.02 2dzbB1 GLU 207 HB3 -0.10 0.06 0.09 -0.04 1.99 2.00 2dzbB1 GLU 207 HG2 -0.39 -0.19 -0.02 -0.04 2.34 1.71 2dzbB1 GLU 207 HG3 -0.72 0.03 -0.09 -0.04 2.34 1.52 2dzbB1 HIS 208 H -0.24 0.14 -0.39 -0.55 8.41 7.36 2dzbB1 HIS 208 HA -0.03 0.03 0.44 -0.75 4.63 4.31 2dzbB1 HIS 208 HB2 0.04 0.10 0.07 -0.04 3.26 3.43 2dzbB1 HIS 208 HB3 -0.12 0.07 -0.02 -0.04 3.20 3.08 2dzbB1 HIS 208 HD2 0.01 -0.03 -0.07 -0.04 6.97 6.84 2dzbB1 HIS 208 HE1 0.17 0.36 -0.14 -0.04 7.75 8.09 2dzbB1 ASN 209 H 0.12 0.51 -0.09 -0.55 8.53 8.52 2dzbB1 ASN 209 HA 0.28 0.05 0.40 -0.75 4.76 4.74 2dzbB1 ASN 209 HB2 0.09 0.08 0.08 -0.04 2.88 3.09 2dzbB1 ASN 209 HB3 0.21 -0.03 -0.00 -0.04 2.79 2.93 2dzbB1 ASN 209 HD21 0.12 0.17 -0.16 -0.04 7.03 7.12 2dzbB1 ASN 209 HD22 0.08 -0.06 -0.34 -0.04 7.74 7.38 2dzbB1 LEU 210 H 0.04 0.63 -0.17 -0.55 8.37 8.32 2dzbB1 LEU 210 HA -0.02 0.04 0.40 -0.75 4.35 4.01 2dzbB1 LEU 210 HB2 -0.01 0.06 0.11 -0.04 1.64 1.77 2dzbB1 LEU 210 HB3 -0.03 0.01 -0.04 -0.04 1.64 1.54 2dzbB1 LEU 210 HG -0.03 0.02 -0.03 -0.04 1.64 1.56 2dzbB1 LEU 210 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.75 2dzbB1 LEU 210 HD23 -0.09 0.00 -0.02 -0.04 0.89 0.74 2dzbB1 ALA 211 H 0.04 0.45 -0.17 -0.55 8.40 8.18 2dzbB1 ALA 211 HA 0.04 0.06 0.39 -0.75 4.34 4.07 2dzbB1 ALA 211 HB3 0.03 0.01 0.10 -0.04 1.41 1.51 2dzbB1 LEU 212 H 0.08 0.47 -0.21 -0.55 8.37 8.17 2dzbB1 LEU 212 HA 0.04 0.02 0.31 -0.75 4.35 3.97 2dzbB1 LEU 212 HB2 0.16 0.05 0.08 -0.04 1.64 1.89 2dzbB1 LEU 212 HB3 -0.05 -0.01 -0.09 -0.04 1.64 1.45 2dzbB1 LEU 212 HG -0.09 -0.06 -0.06 -0.04 1.64 1.39 2dzbB1 LEU 212 HD13 -0.26 -0.01 -0.15 -0.04 0.93 0.48 2dzbB1 LEU 212 HD23 -0.16 0.00 -0.07 -0.04 0.89 0.62 2dzbB1 LEU 213 H 0.25 0.52 -0.19 -0.55 8.37 8.40 2dzbB1 LEU 213 HA 0.31 0.01 0.40 -0.75 4.35 4.32 2dzbB1 LEU 213 HB2 0.01 0.10 0.19 -0.04 1.64 1.90 2dzbB1 LEU 213 HB3 -0.05 0.01 -0.06 -0.04 1.64 1.50 2dzbB1 LEU 213 HG -0.24 -0.03 0.02 -0.04 1.64 1.34 2dzbB1 LEU 213 HD13 -0.26 -0.03 -0.08 -0.04 0.93 0.52 2dzbB1 LEU 213 HD23 -0.12 -0.01 -0.03 -0.04 0.89 0.70 2dzbB1 ARG 214 H 0.10 0.60 -0.12 -0.55 8.46 8.49 2dzbB1 ARG 214 HA 0.32 0.04 0.39 -0.75 4.34 4.34 2dzbB1 ARG 214 HB2 0.07 0.06 0.13 -0.04 1.90 2.12 2dzbB1 ARG 214 HB3 0.10 -0.04 0.05 -0.04 1.80 1.87 2dzbB1 ARG 214 HG2 0.02 -0.02 0.03 -0.04 1.67 1.66 2dzbB1 ARG 214 HG3 -0.04 0.04 0.07 -0.04 1.67 1.69 2dzbB1 ARG 214 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 2dzbB1 ARG 214 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.17 2dzbB1 ARG 215 H 0.12 0.36 -0.48 -0.55 8.46 7.91 2dzbB1 ARG 215 HA 0.08 0.17 0.88 -0.75 4.34 4.71 2dzbB1 ARG 215 HB2 0.05 0.08 0.07 -0.04 1.90 2.06 2dzbB1 ARG 215 HB3 0.04 -0.09 0.18 -0.04 1.80 1.88 2dzbB1 ARG 215 HG2 0.05 0.03 -0.03 -0.04 1.67 1.68 2dzbB1 ARG 215 HG3 0.06 -0.01 -0.25 -0.04 1.67 1.43 2dzbB1 ARG 215 HD2 0.03 -0.01 -0.03 -0.04 3.22 3.17 2dzbB1 ARG 215 HD3 0.03 -0.04 -0.04 -0.04 3.22 3.13 2dzbB1 LEU 216 H 0.16 0.47 -0.26 -0.55 8.37 8.19 2dzbB1 LEU 216 HA 0.10 -0.00 0.41 -0.75 4.35 4.10 2dzbB1 LEU 216 HB2 0.21 0.19 0.25 -0.04 1.64 2.26 2dzbB1 LEU 216 HB3 0.10 0.04 0.06 -0.04 1.64 1.80 2dzbB1 LEU 216 HG 0.10 0.02 -0.07 -0.04 1.64 1.66 2dzbB1 LEU 216 HD13 0.19 -0.03 -0.02 -0.04 0.93 1.04 2dzbB1 LEU 216 HD23 0.20 -0.02 0.00 -0.04 0.89 1.03 2dzbB1 ASP 217 H 0.05 0.14 -0.29 -0.55 8.40 7.75 2dzbB1 ASP 217 HA 0.02 0.30 0.48 -0.75 4.63 4.68 2dzbB1 ASP 217 HB2 0.02 0.02 0.04 -0.04 2.71 2.75 2dzbB1 ASP 217 HB3 0.01 0.09 0.14 -0.04 2.70 2.90 2dzbB1 GLU 218 H 0.04 0.40 -0.31 -0.55 8.60 8.18 2dzbB1 GLU 218 HA 0.02 0.08 0.45 -0.75 4.29 4.09 2dzbB1 GLU 218 HB2 0.03 0.17 0.09 -0.04 2.09 2.34 2dzbB1 GLU 218 HB3 0.02 -0.04 0.02 -0.04 1.99 1.94 2dzbB1 GLU 218 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 2dzbB1 GLU 218 HG3 0.03 -0.03 0.03 -0.04 2.34 2.33 2dzbB1 ILE 219 H 0.04 0.36 -0.26 -0.55 8.25 7.84 2dzbB1 ILE 219 HA 0.03 0.08 0.58 -0.75 4.18 4.11 2dzbB1 ILE 219 HB 0.04 0.15 0.12 -0.04 1.89 2.16 2dzbB1 ILE 219 HG12 -0.00 -0.02 -0.06 -0.04 1.49 1.37 2dzbB1 ILE 219 HG13 0.01 0.02 -0.03 -0.04 1.21 1.16 2dzbB1 ILE 219 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 2dzbB1 ILE 219 HD13 -0.04 -0.02 -0.05 -0.04 0.88 0.73 2dzbB1 VAL 220 H 0.04 0.42 -0.04 -0.55 8.24 8.11 2dzbB1 VAL 220 HA 0.04 0.07 0.41 -0.75 4.13 3.89 2dzbB1 VAL 220 HB 0.02 0.12 0.19 -0.04 2.12 2.41 2dzbB1 VAL 220 HG13 0.02 0.00 -0.06 -0.04 0.97 0.89 2dzbB1 VAL 220 HG23 0.03 0.01 -0.15 -0.04 0.95 0.79 2dzbB1 ALA 221 H 0.02 0.29 -0.41 -0.55 8.40 7.76 2dzbB1 ALA 221 HA 0.01 0.06 0.37 -0.75 4.34 4.02 2dzbB1 ALA 221 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2dzbB1 LEU 222 H 0.03 0.40 -0.81 -0.55 8.37 7.44 2dzbB1 LEU 222 HA 0.01 0.07 0.63 -0.75 4.35 4.30 2dzbB1 LEU 222 HB2 0.11 0.15 0.07 -0.04 1.64 1.93 2dzbB1 LEU 222 HB3 0.15 -0.08 0.08 -0.04 1.64 1.75 2dzbB1 LEU 222 HG 0.04 0.14 0.08 -0.04 1.64 1.86 2dzbB1 LEU 222 HD13 0.05 -0.04 0.04 -0.04 0.93 0.94 2dzbB1 LEU 222 HD23 0.03 -0.03 -0.01 -0.04 0.89 0.84 2dzbB1 GLY 223 H -0.02 0.41 -0.19 -0.55 8.43 8.09 2dzbB1 GLY 223 HA2 -0.08 0.01 0.24 -0.51 4.01 3.66 2dzbB1 GLY 223 HA3 -0.20 0.10 0.46 -0.51 4.01 3.86 2dzbB1 HIS 224 H 0.02 0.06 -0.17 -0.55 8.41 7.78 2dzbB1 HIS 224 HA 0.01 0.21 0.96 -0.75 4.63 5.05 2dzbB1 HIS 224 HB2 0.00 -0.10 -0.01 -0.04 3.26 3.11 2dzbB1 HIS 224 HB3 0.01 0.27 0.19 -0.04 3.20 3.62 2dzbB1 HIS 224 HD2 -0.01 -0.05 -0.14 -0.04 6.97 6.73 2dzbB1 HIS 224 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.62 2dzbB1 PRO 225 HA 0.05 0.08 0.47 -0.51 4.44 4.53 2dzbB1 PRO 225 HB2 0.05 -0.09 -0.03 -0.04 2.28 2.18 2dzbB1 PRO 225 HB3 0.05 0.03 0.01 -0.04 2.02 2.07 2dzbB1 PRO 225 HG2 0.08 -0.00 0.06 -0.04 2.03 2.12 2dzbB1 PRO 225 HG3 0.06 0.09 0.06 -0.04 2.03 2.20 2dzbB1 PRO 225 HD2 0.12 0.31 0.35 -0.04 3.68 4.42 2dzbB1 PRO 225 HD3 0.11 0.16 0.32 -0.04 3.65 4.20 2dzbB1 VAL 226 H 0.04 0.14 0.24 -0.55 8.24 8.11 2dzbB1 VAL 226 HA 0.04 0.27 1.09 -0.75 4.13 4.77 2dzbB1 VAL 226 HB 0.04 -0.06 0.07 -0.04 2.12 2.13 2dzbB1 VAL 226 HG13 0.06 -0.01 -0.15 -0.04 0.97 0.82 2dzbB1 VAL 226 HG23 0.05 0.04 -0.21 -0.04 0.95 0.79 2dzbB1 LEU 227 H 0.04 0.83 0.33 -0.55 8.37 9.02 2dzbB1 LEU 227 HA 0.02 0.33 0.94 -0.75 4.35 4.88 2dzbB1 LEU 227 HB2 0.01 0.03 -0.22 -0.04 1.64 1.42 2dzbB1 LEU 227 HB3 0.02 0.01 -0.16 -0.04 1.64 1.47 2dzbB1 LEU 227 HG 0.03 -0.08 -0.45 -0.04 1.64 1.10 2dzbB1 LEU 227 HD13 -0.03 0.04 -0.36 -0.04 0.93 0.54 2dzbB1 LEU 227 HD23 -0.00 -0.02 -0.27 -0.04 0.89 0.57 2dzbB1 VAL 228 H 0.03 0.53 0.32 -0.55 8.24 8.56 2dzbB1 VAL 228 HA 0.21 0.10 0.76 -0.75 4.13 4.45 2dzbB1 VAL 228 HB 0.46 -0.12 0.06 -0.04 2.12 2.48 2dzbB1 VAL 228 HG13 0.25 0.03 -0.22 -0.04 0.97 1.00 2dzbB1 VAL 228 HG23 0.12 0.02 -0.12 -0.04 0.95 0.92 2dzbB1 GLY 229 H 0.36 0.18 0.05 -0.55 8.43 8.48 2dzbB1 GLY 229 HA2 0.21 0.12 0.75 -0.51 4.01 4.57 2dzbB1 GLY 229 HA3 0.16 0.10 0.41 -0.51 4.01 4.17 2dzbB1 LEU 230 H 0.62 0.17 0.12 -0.55 8.37 8.73 2dzbB1 LEU 230 HA 0.05 0.23 0.90 -0.75 4.35 4.78 2dzbB1 LEU 230 HB2 -0.39 0.06 0.01 -0.04 1.64 1.28 2dzbB1 LEU 230 HB3 -0.22 -0.06 0.06 -0.04 1.64 1.38 2dzbB1 LEU 230 HG -0.30 0.03 -0.09 -0.04 1.64 1.25 2dzbB1 LEU 230 HD13 -0.34 -0.02 -0.24 -0.04 0.93 0.29 2dzbB1 LEU 230 HD23 -0.59 0.01 -0.08 -0.04 0.89 0.19 2dzbB1 SER 231 H 0.23 0.15 0.08 -0.55 8.46 8.37 2dzbB1 SER 231 HA 0.05 -0.05 0.42 -0.75 4.49 4.15 2dzbB1 SER 231 HB2 0.26 0.15 0.13 -0.04 3.95 4.46 2dzbB1 SER 231 HB3 0.30 -0.02 0.02 -0.04 3.93 4.19 2dzbB1 ARG 232 H -0.02 0.08 0.19 -0.55 8.46 8.16 2dzbB1 ARG 232 HA -0.05 0.01 0.38 -0.75 4.34 3.93 2dzbB1 ARG 232 HB2 -0.13 0.18 -0.18 -0.04 1.90 1.72 2dzbB1 ARG 232 HB3 -0.11 -0.02 0.11 -0.04 1.80 1.74 2dzbB1 ARG 232 HG2 -0.09 0.14 0.05 -0.04 1.67 1.73 2dzbB1 ARG 232 HG3 -0.06 -0.22 -0.22 -0.04 1.67 1.13 2dzbB1 ARG 232 HD2 -0.70 0.01 -0.14 -0.04 3.22 2.35 2dzbB1 ARG 232 HD3 -0.24 0.00 -0.18 -0.04 3.22 2.77 2dzbB1 LYS 233 H -0.02 0.46 -0.56 -0.55 8.42 7.75 2dzbB1 LYS 233 HA -0.03 0.16 0.47 -0.75 4.32 4.17 2dzbB1 LYS 233 HB2 -0.01 -0.02 0.03 -0.04 1.87 1.83 2dzbB1 LYS 233 HB3 -0.00 -0.12 0.06 -0.04 1.79 1.69 2dzbB1 LYS 233 HG2 0.02 0.03 -0.10 -0.04 1.46 1.36 2dzbB1 LYS 233 HG3 0.06 0.07 -0.35 -0.04 1.46 1.20 2dzbB1 LYS 233 HD2 0.14 -0.05 0.01 -0.04 1.69 1.75 2dzbB1 LYS 233 HD3 0.04 -0.02 -0.07 -0.04 1.68 1.59 2dzbB1 LYS 233 HE2 0.11 -0.07 -0.06 -0.04 2.99 2.92 2dzbB1 LYS 233 HE3 0.17 -0.06 -0.15 -0.04 2.99 2.91 2dzbB1 ARG 234 H -0.04 0.22 0.17 -0.55 8.46 8.26 2dzbB1 ARG 234 HA -0.03 0.14 0.38 -0.75 4.34 4.07 2dzbB1 ARG 234 HB2 -0.03 0.09 0.18 -0.04 1.90 2.09 2dzbB1 ARG 234 HB3 -0.02 -0.02 0.13 -0.04 1.80 1.85 2dzbB1 ARG 234 HG2 -0.02 -0.08 -0.13 -0.04 1.67 1.40 2dzbB1 ARG 234 HG3 -0.02 0.06 0.07 -0.04 1.67 1.73 2dzbB1 ARG 234 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.14 2dzbB1 ARG 234 HD3 -0.01 0.01 0.01 -0.04 3.22 3.18 2dzbB1 THR 235 H -0.02 0.11 -0.20 -0.55 8.28 7.63 2dzbB1 THR 235 HA -0.03 0.04 0.35 -0.75 4.39 4.00 2dzbB1 THR 235 HB -0.05 0.00 -0.01 -0.04 4.32 4.22 2dzbB1 THR 235 HG23 -0.07 0.02 -0.16 -0.04 1.22 0.97 2dzbB1 ILE 236 H -0.06 0.22 -0.33 -0.55 8.25 7.53 2dzbB1 ILE 236 HA -0.08 0.05 0.35 -0.75 4.18 3.75 2dzbB1 ILE 236 HB -0.06 0.17 0.01 -0.04 1.89 1.97 2dzbB1 ILE 236 HG12 -0.10 -0.04 0.02 -0.04 1.49 1.33 2dzbB1 ILE 236 HG13 -0.12 -0.03 -0.05 -0.04 1.21 0.98 2dzbB1 ILE 236 HG23 -0.07 0.01 -0.16 -0.04 0.93 0.67 2dzbB1 ILE 236 HD13 -0.17 0.02 -0.19 -0.04 0.88 0.50 2dzbB1 GLY 237 H -0.04 0.37 -0.17 -0.55 8.43 8.05 2dzbB1 GLY 237 HA2 -0.03 -0.04 0.38 -0.51 4.01 3.81 2dzbB1 GLY 237 HA3 -0.03 0.14 0.26 -0.51 4.01 3.87 2dzbB1 GLU 238 H -0.03 0.60 -0.16 -0.55 8.60 8.46 2dzbB1 GLU 238 HA -0.03 0.04 0.36 -0.75 4.29 3.90 2dzbB1 GLU 238 HB2 -0.03 0.07 0.16 -0.04 2.09 2.24 2dzbB1 GLU 238 HB3 -0.03 -0.04 0.01 -0.04 1.99 1.90 2dzbB1 GLU 238 HG2 -0.02 -0.01 0.01 -0.04 2.34 2.28 2dzbB1 GLU 238 HG3 -0.03 0.21 0.03 -0.04 2.34 2.52 2dzbB1 LEU 239 H -0.05 0.49 -0.06 -0.55 8.37 8.21 2dzbB1 LEU 239 HA -0.04 0.08 0.53 -0.75 4.35 4.17 2dzbB1 LEU 239 HB2 -0.07 0.01 0.10 -0.04 1.64 1.63 2dzbB1 LEU 239 HB3 -0.07 -0.01 0.02 -0.04 1.64 1.55 2dzbB1 LEU 239 HG -0.06 0.09 0.07 -0.04 1.64 1.69 2dzbB1 LEU 239 HD13 -0.11 -0.02 -0.06 -0.04 0.93 0.70 2dzbB1 LEU 239 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.74 2dzbB1 SER 240 H -0.04 0.61 -0.07 -0.55 8.46 8.41 2dzbB1 SER 240 HA -0.03 0.18 0.78 -0.75 4.49 4.67 2dzbB1 SER 240 HB2 -0.01 -0.05 0.08 -0.04 3.95 3.93 2dzbB1 SER 240 HB3 -0.03 -0.09 0.06 -0.04 3.93 3.82 2dzbB1 GLY 241 H -0.03 0.37 -0.27 -0.55 8.43 7.96 2dzbB1 GLY 241 HA2 -0.02 0.05 0.27 -0.51 4.01 3.79 2dzbB1 GLY 241 HA3 -0.02 0.04 0.42 -0.51 4.01 3.95 2dzbB1 VAL 242 H -0.02 0.23 -0.05 -0.55 8.24 7.84 2dzbB1 VAL 242 HA -0.01 0.15 0.87 -0.75 4.13 4.38 2dzbB1 VAL 242 HB -0.02 -0.08 -0.05 -0.04 2.12 1.93 2dzbB1 VAL 242 HG13 -0.01 0.03 -0.27 -0.04 0.97 0.68 2dzbB1 VAL 242 HG23 -0.00 0.02 -0.22 -0.04 0.95 0.71 2dzbB1 GLU 243 H -0.01 0.20 0.07 -0.55 8.60 8.31 2dzbB1 GLU 243 HA -0.02 0.08 0.31 -0.75 4.29 3.91 2dzbB1 GLU 243 HB2 -0.01 0.06 0.09 -0.04 2.09 2.18 2dzbB1 GLU 243 HB3 -0.01 -0.06 0.10 -0.04 1.99 1.98 2dzbB1 GLU 243 HG2 -0.02 -0.01 -0.20 -0.04 2.34 2.07 2dzbB1 GLU 243 HG3 -0.01 0.01 0.01 -0.04 2.34 2.30 2dzbB1 ASP 244 H -0.02 0.06 -0.10 -0.55 8.40 7.79 2dzbB1 ASP 244 HA -0.02 0.21 0.60 -0.75 4.63 4.66 2dzbB1 ASP 244 HB2 -0.02 0.06 0.06 -0.04 2.71 2.78 2dzbB1 ASP 244 HB3 -0.02 -0.03 0.10 -0.04 2.70 2.71 2dzbB1 PRO 245 HA -0.05 0.10 0.35 -0.51 4.44 4.33 2dzbB1 PRO 245 HB2 -0.06 -0.02 0.05 -0.04 2.28 2.20 2dzbB1 PRO 245 HB3 -0.06 0.22 0.15 -0.04 2.02 2.29 2dzbB1 PRO 245 HG2 -0.04 0.03 0.11 -0.04 2.03 2.08 2dzbB1 PRO 245 HG3 -0.04 0.09 0.11 -0.04 2.03 2.15 2dzbB1 PRO 245 HD2 -0.03 0.03 0.22 -0.04 3.68 3.86 2dzbB1 PRO 245 HD3 -0.03 0.34 0.38 -0.04 3.65 4.30 2dzbB1 ALA 246 H -0.04 0.13 -0.32 -0.55 8.40 7.61 2dzbB1 ALA 246 HA -0.07 0.08 0.40 -0.75 4.34 3.99 2dzbB1 ALA 246 HB3 -0.04 0.02 0.04 -0.04 1.41 1.40 2dzbB1 GLN 247 H -0.04 0.59 -0.52 -0.55 8.47 7.96 2dzbB1 GLN 247 HA -0.04 0.17 0.91 -0.75 4.36 4.65 2dzbB1 GLN 247 HB2 -0.02 0.07 0.06 -0.04 2.15 2.22 2dzbB1 GLN 247 HB3 -0.01 -0.01 0.18 -0.04 2.02 2.15 2dzbB1 GLN 247 HG2 -0.02 0.08 -0.17 -0.04 2.40 2.25 2dzbB1 GLN 247 HG3 -0.02 -0.09 -0.18 -0.04 2.39 2.05 2dzbB1 GLN 247 HE21 -0.00 0.02 0.00 -0.04 6.97 6.95 2dzbB1 GLN 247 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.65 2dzbB1 ARG 248 H -0.05 0.37 -0.22 -0.55 8.46 8.01 2dzbB1 ARG 248 HA -0.03 0.21 0.74 -0.75 4.34 4.51 2dzbB1 ARG 248 HB2 -0.05 0.09 0.15 -0.04 1.90 2.05 2dzbB1 ARG 248 HB3 -0.05 -0.14 0.13 -0.04 1.80 1.70 2dzbB1 ARG 248 HG2 -0.03 0.00 -0.18 -0.04 1.67 1.42 2dzbB1 ARG 248 HG3 -0.04 0.11 -0.22 -0.04 1.67 1.49 2dzbB1 ARG 248 HD2 -0.05 0.10 0.00 -0.04 3.22 3.23 2dzbB1 ARG 248 HD3 -0.04 -0.12 -0.17 -0.04 3.22 2.85 2dzbB1 VAL 249 H -0.10 0.24 -0.32 -0.55 8.24 7.51 2dzbB1 VAL 249 HA -0.05 -0.00 0.37 -0.75 4.13 3.69 2dzbB1 VAL 249 HB -0.10 0.05 0.09 -0.04 2.12 2.12 2dzbB1 VAL 249 HG13 -0.46 0.05 -0.01 -0.04 0.97 0.50 2dzbB1 VAL 249 HG23 -0.10 -0.00 -0.02 -0.04 0.95 0.79 2dzbB1 HIS 250 H -0.23 0.20 -0.12 -0.55 8.41 7.72 2dzbB1 HIS 250 HA -0.06 0.09 0.38 -0.75 4.63 4.29 2dzbB1 HIS 250 HB2 -0.03 0.02 0.08 -0.04 3.26 3.29 2dzbB1 HIS 250 HB3 -0.04 0.08 -0.00 -0.04 3.20 3.20 2dzbB1 HIS 250 HD2 -0.03 0.02 -0.01 -0.04 6.97 6.90 2dzbB1 HIS 250 HE1 -0.01 0.04 0.01 -0.04 7.75 7.74 2dzbB1 GLY 251 H 0.01 0.13 -0.21 -0.55 8.43 7.81 2dzbB1 GLY 251 HA2 -0.04 0.12 0.44 -0.51 4.01 4.02 2dzbB1 GLY 251 HA3 -0.04 0.08 0.26 -0.51 4.01 3.80 2dzbB1 SER 252 H -0.07 0.47 -0.22 -0.55 8.46 8.08 2dzbB1 SER 252 HA -0.22 0.01 0.37 -0.75 4.49 3.90 2dzbB1 SER 252 HB2 -0.01 0.12 0.17 -0.04 3.95 4.18 2dzbB1 SER 252 HB3 -0.05 -0.10 -0.04 -0.04 3.93 3.71 2dzbB1 VAL 253 H -0.12 0.69 -0.03 -0.55 8.24 8.24 2dzbB1 VAL 253 HA -0.19 -0.00 0.40 -0.75 4.13 3.59 2dzbB1 VAL 253 HB -0.11 0.11 0.13 -0.04 2.12 2.21 2dzbB1 VAL 253 HG13 -0.15 0.01 -0.15 -0.04 0.97 0.64 2dzbB1 VAL 253 HG23 -0.51 0.01 -0.05 -0.04 0.95 0.36 2dzbB1 ALA 254 H -0.09 0.45 -0.25 -0.55 8.40 7.97 2dzbB1 ALA 254 HA -0.11 0.05 0.39 -0.75 4.34 3.91 2dzbB1 ALA 254 HB3 -0.06 0.04 0.08 -0.04 1.41 1.43 2dzbB1 ALA 255 H -0.15 0.47 -0.18 -0.55 8.40 7.99 2dzbB1 ALA 255 HA -0.12 0.06 0.42 -0.75 4.34 3.94 2dzbB1 ALA 255 HB3 -0.26 0.01 0.06 -0.04 1.41 1.18 2dzbB1 HIS 256 H -0.15 0.59 -0.13 -0.55 8.41 8.18 2dzbB1 HIS 256 HA -0.04 -0.01 0.43 -0.75 4.63 4.26 2dzbB1 HIS 256 HB2 0.07 0.11 0.12 -0.04 3.26 3.52 2dzbB1 HIS 256 HB3 0.04 0.03 -0.06 -0.04 3.20 3.17 2dzbB1 HIS 256 HD2 -0.03 0.04 -0.12 -0.04 6.97 6.82 2dzbB1 HIS 256 HE1 -0.02 -0.06 0.03 -0.04 7.75 7.66 2dzbB1 LEU 257 H -0.14 0.57 -0.20 -0.55 8.37 8.06 2dzbB1 LEU 257 HA -0.54 0.05 0.43 -0.75 4.35 3.54 2dzbB1 LEU 257 HB2 -0.47 0.09 0.12 -0.04 1.64 1.33 2dzbB1 LEU 257 HB3 -1.51 -0.01 0.00 -0.04 1.64 0.08 2dzbB1 LEU 257 HG -0.25 0.21 0.03 -0.04 1.64 1.59 2dzbB1 LEU 257 HD13 -0.21 -0.03 -0.07 -0.04 0.93 0.59 2dzbB1 LEU 257 HD23 -0.50 -0.02 -0.09 -0.04 0.89 0.25 2dzbB1 PHE 258 H -0.04 0.43 -0.26 -0.55 8.34 7.92 2dzbB1 PHE 258 HA -0.15 0.04 0.43 -0.75 4.62 4.19 2dzbB1 PHE 258 HB2 -0.11 0.03 0.11 -0.04 3.15 3.14 2dzbB1 PHE 258 HB3 -0.11 0.13 0.16 -0.04 3.06 3.20 2dzbB1 PHE 258 HD2 -0.02 -0.00 -0.13 -0.04 7.28 7.09 2dzbB1 PHE 258 HE2 0.02 0.13 -0.13 -0.04 7.38 7.36 2dzbB1 PHE 258 HZ 0.02 0.02 -0.01 -0.04 7.32 7.31 2dzbB1 ALA 259 H 0.07 0.41 -0.18 -0.55 8.40 8.15 2dzbB1 ALA 259 HA 0.05 0.03 0.39 -0.75 4.34 4.05 2dzbB1 ALA 259 HB3 0.08 0.01 0.05 -0.04 1.41 1.52 2dzbB1 VAL 260 H -0.13 0.49 -0.23 -0.55 8.24 7.82 2dzbB1 VAL 260 HA -0.06 0.29 0.44 -0.75 4.13 4.05 2dzbB1 VAL 260 HB -0.34 0.06 0.17 -0.04 2.12 1.98 2dzbB1 VAL 260 HG13 0.03 0.01 -0.11 -0.04 0.97 0.85 2dzbB1 VAL 260 HG23 -0.08 0.05 -0.03 -0.04 0.95 0.85 2dzbB1 MET 261 H -0.24 0.49 -0.22 -0.55 8.47 7.96 2dzbB1 MET 261 HA -0.33 0.03 0.41 -0.75 4.52 3.88 2dzbB1 MET 261 HB2 0.03 -0.01 0.12 -0.04 2.15 2.25 2dzbB1 MET 261 HB3 -0.32 0.15 0.16 -0.04 2.03 1.98 2dzbB1 MET 261 HG2 -0.07 0.00 -0.10 -0.04 2.63 2.42 2dzbB1 MET 261 HG3 -0.02 -0.02 0.08 -0.04 2.56 2.55 2dzbB1 MET 261 HE3 -0.28 -0.00 -0.01 -0.04 2.10 1.76 2dzbB1 LYS 262 H -0.20 0.30 -0.45 -0.55 8.42 7.51 2dzbB1 LYS 262 HA -0.11 0.05 0.55 -0.75 4.32 4.06 2dzbB1 LYS 262 HB2 -0.08 0.09 0.13 -0.04 1.87 1.97 2dzbB1 LYS 262 HB3 -0.03 -0.18 0.00 -0.04 1.79 1.55 2dzbB1 LYS 262 HG2 -0.62 0.12 -0.00 -0.04 1.46 0.92 2dzbB1 LYS 262 HG3 -0.10 0.02 0.03 -0.04 1.46 1.36 2dzbB1 LYS 262 HD2 -0.02 -0.30 0.05 -0.04 1.69 1.38 2dzbB1 LYS 262 HD3 -0.13 0.08 0.02 -0.04 1.68 1.62 2dzbB1 LYS 262 HE2 -0.25 -0.02 0.00 -0.04 2.99 2.68 2dzbB1 LYS 262 HE3 0.10 0.05 0.04 -0.04 2.99 3.13 2dzbB1 GLY 263 H -0.06 0.47 -0.49 -0.55 8.43 7.81 2dzbB1 GLY 263 HA2 0.00 0.06 0.23 -0.51 4.01 3.78 2dzbB1 GLY 263 HA3 0.01 0.11 0.80 -0.51 4.01 4.42 2dzbB1 VAL 264 H -0.01 0.42 0.01 -0.55 8.24 8.10 2dzbB1 VAL 264 HA 0.02 0.04 0.52 -0.75 4.13 3.96 2dzbB1 VAL 264 HB 0.01 -0.06 -0.28 -0.04 2.12 1.75 2dzbB1 VAL 264 HG13 0.02 -0.05 -0.19 -0.04 0.97 0.72 2dzbB1 VAL 264 HG23 0.06 0.00 -0.12 -0.04 0.95 0.85 2dzbB1 ARG 265 H 0.01 0.18 0.26 -0.55 8.46 8.35 2dzbB1 ARG 265 HA 0.00 0.16 0.86 -0.75 4.34 4.61 2dzbB1 ARG 265 HB2 0.02 -0.04 0.08 -0.04 1.90 1.92 2dzbB1 ARG 265 HB3 0.01 0.04 0.12 -0.04 1.80 1.93 2dzbB1 ARG 265 HG2 0.02 0.07 -0.48 -0.04 1.67 1.24 2dzbB1 ARG 265 HG3 0.02 0.09 -0.05 -0.04 1.67 1.69 2dzbB1 ARG 265 HD2 0.03 0.10 -0.32 -0.04 3.22 2.99 2dzbB1 ARG 265 HD3 0.02 -0.09 -0.14 -0.04 3.22 2.97 2dzbB1 LEU 266 H -0.01 0.21 0.12 -0.55 8.37 8.14 2dzbB1 LEU 266 HA -0.04 0.32 0.96 -0.75 4.35 4.84 2dzbB1 LEU 266 HB2 -0.00 0.16 0.13 -0.04 1.64 1.89 2dzbB1 LEU 266 HB3 -0.02 -0.08 -0.08 -0.04 1.64 1.41 2dzbB1 LEU 266 HG 0.01 -0.01 -0.40 -0.04 1.64 1.19 2dzbB1 LEU 266 HD13 0.01 -0.01 -0.26 -0.04 0.93 0.63 2dzbB1 LEU 266 HD23 -0.01 0.02 -0.07 -0.04 0.89 0.78 2dzbB1 LEU 267 H -0.10 0.63 0.29 -0.55 8.37 8.64 2dzbB1 LEU 267 HA -0.19 0.22 1.08 -0.75 4.35 4.70 2dzbB1 LEU 267 HB2 -0.28 -0.02 -0.01 -0.04 1.64 1.29 2dzbB1 LEU 267 HB3 -0.67 -0.09 -0.08 -0.04 1.64 0.76 2dzbB1 LEU 267 HG -0.12 0.05 -0.38 -0.04 1.64 1.14 2dzbB1 LEU 267 HD13 -0.09 -0.00 -0.17 -0.04 0.93 0.62 2dzbB1 LEU 267 HD23 -0.22 0.03 -0.16 -0.04 0.89 0.51 2dzbB1 ARG 268 H -0.14 0.61 0.38 -0.55 8.46 8.77 2dzbB1 ARG 268 HA -0.11 0.27 0.87 -0.75 4.34 4.61 2dzbB1 ARG 268 HB2 -0.02 0.02 -0.06 -0.04 1.90 1.80 2dzbB1 ARG 268 HB3 0.02 -0.14 0.17 -0.04 1.80 1.81 2dzbB1 ARG 268 HG2 -0.05 -0.05 -0.21 -0.04 1.67 1.31 2dzbB1 ARG 268 HG3 -0.06 0.09 -0.10 -0.04 1.67 1.56 2dzbB1 ARG 268 HD2 0.00 0.02 -0.17 -0.04 3.22 3.03 2dzbB1 ARG 268 HD3 0.06 -0.05 -0.13 -0.04 3.22 3.06 2dzbB1 VAL 269 H -0.17 0.69 0.24 -0.55 8.24 8.45 2dzbB1 VAL 269 HA -0.03 0.10 1.02 -0.75 4.13 4.46 2dzbB1 VAL 269 HB -0.36 -0.16 -0.08 -0.04 2.12 1.49 2dzbB1 VAL 269 HG13 -0.75 0.02 -0.39 -0.04 0.97 -0.18 2dzbB1 VAL 269 HG23 -0.21 0.04 -0.38 -0.04 0.95 0.36 2dzbB1 HIS 270 H 0.14 -0.00 0.12 -0.55 8.41 8.12 2dzbB1 HIS 270 HA -0.00 0.25 0.95 -0.75 4.63 5.08 2dzbB1 HIS 270 HB2 0.02 -0.11 0.09 -0.04 3.26 3.23 2dzbB1 HIS 270 HB3 0.01 0.06 -0.02 -0.04 3.20 3.22 2dzbB1 HIS 270 HD2 0.01 0.05 -0.01 -0.04 6.97 6.97 2dzbB1 HIS 270 HE1 0.03 0.04 -0.15 -0.04 7.75 7.63 2dzbB1 ASP 271 H 0.16 0.01 0.06 -0.55 8.40 8.09 2dzbB1 ASP 271 HA 0.07 0.22 0.72 -0.75 4.63 4.89 2dzbB1 ASP 271 HB2 0.07 0.04 0.11 -0.04 2.71 2.89 2dzbB1 ASP 271 HB3 0.15 -0.03 0.22 -0.04 2.70 2.99 2dzbB1 VAL 272 H 0.04 0.40 -0.01 -0.55 8.24 8.12 2dzbB1 VAL 272 HA 0.03 0.05 0.22 -0.75 4.13 3.67 2dzbB1 VAL 272 HB 0.01 -0.02 0.07 -0.04 2.12 2.14 2dzbB1 VAL 272 HG13 0.00 0.10 -0.38 -0.04 0.97 0.65 2dzbB1 VAL 272 HG23 -0.03 0.04 -0.09 -0.04 0.95 0.84 2dzbB1 ARG 273 H 0.04 0.09 -0.06 -0.55 8.46 7.99 2dzbB1 ARG 273 HA 0.04 0.29 0.43 -0.75 4.34 4.34 2dzbB1 ARG 273 HB2 0.02 0.09 0.11 -0.04 1.90 2.08 2dzbB1 ARG 273 HB3 0.03 -0.11 0.07 -0.04 1.80 1.75 2dzbB1 ARG 273 HG2 0.02 -0.04 -0.26 -0.04 1.67 1.35 2dzbB1 ARG 273 HG3 0.02 0.08 0.02 -0.04 1.67 1.76 2dzbB1 ARG 273 HD2 0.02 0.07 -0.01 -0.04 3.22 3.26 2dzbB1 ARG 273 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 2dzbB1 ALA 274 H 0.05 0.04 -0.29 -0.55 8.40 7.66 2dzbB1 ALA 274 HA -0.00 0.08 0.36 -0.75 4.34 4.02 2dzbB1 ALA 274 HB3 -0.04 0.02 0.04 -0.04 1.41 1.39 2dzbB1 HIS 275 H 0.21 0.35 -0.28 -0.55 8.41 8.14 2dzbB1 HIS 275 HA 0.02 -0.01 0.46 -0.75 4.63 4.35 2dzbB1 HIS 275 HB2 0.00 0.14 0.07 -0.04 3.26 3.44 2dzbB1 HIS 275 HB3 -0.01 0.04 -0.09 -0.04 3.20 3.11 2dzbB1 HIS 275 HD2 0.04 0.07 -0.09 -0.04 6.97 6.95 2dzbB1 HIS 275 HE1 0.10 -0.16 -0.05 -0.04 7.75 7.60 2dzbB1 ARG 276 H 0.09 0.54 -0.08 -0.55 8.46 8.47 2dzbB1 ARG 276 HA 0.06 0.05 0.39 -0.75 4.34 4.09 2dzbB1 ARG 276 HB2 0.04 0.11 0.13 -0.04 1.90 2.14 2dzbB1 ARG 276 HB3 0.04 0.01 0.19 -0.04 1.80 2.00 2dzbB1 ARG 276 HG2 0.03 0.06 0.01 -0.04 1.67 1.72 2dzbB1 ARG 276 HG3 0.03 -0.09 -0.06 -0.04 1.67 1.51 2dzbB1 ARG 276 HD2 0.02 0.06 0.12 -0.04 3.22 3.38 2dzbB1 ARG 276 HD3 0.02 -0.01 0.04 -0.04 3.22 3.23 2dzbB1 GLU 277 H 0.04 0.57 -0.11 -0.55 8.60 8.55 2dzbB1 GLU 277 HA 0.04 0.07 0.44 -0.75 4.29 4.08 2dzbB1 GLU 277 HB2 0.03 0.03 0.13 -0.04 2.09 2.24 2dzbB1 GLU 277 HB3 0.03 -0.04 0.01 -0.04 1.99 1.95 2dzbB1 GLU 277 HG2 0.03 0.00 0.01 -0.04 2.34 2.34 2dzbB1 GLU 277 HG3 0.03 0.21 0.07 -0.04 2.34 2.61 2dzbB1 ALA 278 H 0.02 0.51 -0.07 -0.55 8.40 8.31 2dzbB1 ALA 278 HA 0.07 0.02 0.46 -0.75 4.34 4.13 2dzbB1 ALA 278 HB3 -0.03 -0.00 0.09 -0.04 1.41 1.43 2dzbB1 LEU 279 H 0.07 0.71 -0.14 -0.55 8.37 8.46 2dzbB1 LEU 279 HA 0.19 -0.05 0.43 -0.75 4.35 4.17 2dzbB1 LEU 279 HB2 0.08 0.17 0.11 -0.04 1.64 1.96 2dzbB1 LEU 279 HB3 0.10 -0.01 0.01 -0.04 1.64 1.69 2dzbB1 LEU 279 HG 0.06 -0.04 0.01 -0.04 1.64 1.64 2dzbB1 LEU 279 HD13 0.05 -0.00 -0.17 -0.04 0.93 0.77 2dzbB1 LEU 279 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 2dzbB1 GLY 280 H 0.08 0.39 -0.35 -0.55 8.43 8.01 2dzbB1 GLY 280 HA2 0.07 0.04 0.38 -0.51 4.01 3.99 2dzbB1 GLY 280 HA3 0.06 0.05 0.31 -0.51 4.01 3.92 2dzbB1 VAL 281 H 0.10 0.32 -0.23 -0.55 8.24 7.89 2dzbB1 VAL 281 HA 0.06 0.07 0.49 -0.75 4.13 3.99 2dzbB1 VAL 281 HB 0.14 0.09 0.21 -0.04 2.12 2.52 2dzbB1 VAL 281 HG13 0.09 -0.02 -0.13 -0.04 0.97 0.87 2dzbB1 VAL 281 HG23 0.06 0.01 0.04 -0.04 0.95 1.02 2dzbB1 TRP 282 H 0.31 0.64 0.12 -0.55 7.97 8.49 2dzbB1 TRP 282 HA 0.05 -0.02 0.36 -0.75 4.62 4.26 2dzbB1 TRP 282 HB2 0.03 0.00 0.11 -0.04 3.23 3.33 2dzbB1 TRP 282 HB3 0.02 0.01 0.12 -0.04 3.23 3.34 2dzbB1 TRP 282 HD1 -0.04 0.06 -0.22 -0.04 7.22 6.99 2dzbB1 TRP 282 HE1 -0.41 0.05 -0.09 -0.04 10.20 9.70 2dzbB1 TRP 282 HE3 0.04 -0.01 -0.00 -0.04 7.59 7.58 2dzbB1 TRP 282 HZ2 -0.15 0.03 -0.02 -0.04 7.44 7.26 2dzbB1 TRP 282 HZ3 0.06 -0.03 -0.03 -0.04 7.13 7.08 2dzbB1 TRP 282 HH2 0.08 -0.02 -0.04 -0.04 7.19 7.17 2dzbB1 GLU 283 H 0.23 0.69 -0.07 -0.55 8.60 8.90 2dzbB1 GLU 283 HA 0.12 0.04 0.49 -0.75 4.29 4.18 2dzbB1 GLU 283 HB2 0.11 0.19 0.11 -0.04 2.09 2.46 2dzbB1 GLU 283 HB3 0.09 0.01 0.06 -0.04 1.99 2.10 2dzbB1 GLU 283 HG2 0.18 0.03 0.05 -0.04 2.34 2.56 2dzbB1 GLU 283 HG3 0.25 -0.10 0.06 -0.04 2.34 2.52 2dzbB1 ALA 284 H 0.04 0.29 -0.41 -0.55 8.40 7.77 2dzbB1 ALA 284 HA 0.00 0.06 0.56 -0.75 4.34 4.20 2dzbB1 ALA 284 HB3 0.01 -0.00 0.14 -0.04 1.41 1.52 2dzbB1 LEU 285 H -0.10 0.25 -0.24 -0.55 8.37 7.74 2dzbB1 LEU 285 HA -0.11 0.10 0.78 -0.75 4.35 4.37 2dzbB1 LEU 285 HB2 -0.33 0.02 0.09 -0.04 1.64 1.38 2dzbB1 LEU 285 HB3 -0.20 -0.10 0.00 -0.04 1.64 1.30 2dzbB1 LEU 285 HG -0.05 0.32 -0.01 -0.04 1.64 1.86 2dzbB1 LEU 285 HD13 -0.06 -0.05 -0.06 -0.04 0.93 0.72 2dzbB1 LEU 285 HD23 -0.05 -0.01 -0.10 -0.04 0.89 0.68 2dzbB1 TYR 286 H -0.28 0.65 0.09 -0.55 8.29 8.20 2dzbB1 TYR 286 HA -0.30 0.07 0.38 -0.75 4.56 3.96 2dzbB1 TYR 286 HB2 -1.10 -0.03 0.07 -0.04 3.06 1.96 2dzbB1 TYR 286 HB3 -0.28 0.05 0.06 -0.04 2.98 2.76 2dzbB1 TYR 286 HD2 -0.27 -0.01 0.00 -0.04 7.15 6.84 2dzbB1 TYR 286 HE2 0.05 -0.02 0.02 -0.04 6.85 6.86