#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 s LEU 2 N 0.00 -0.55 -0.39 -0.89 1.02 -1.26 -5.09 118.68 111.52 1du2 s LEU 2 Ca 0.00 0.10 0.11 0.00 0.02 0.00 0.00 54.13 54.36 1du2 s LEU 2 Cb 0.00 2.51 0.35 0.00 0.02 0.00 0.00 46.19 49.08 1du2 s LEU 2 CO 0.00 -0.87 0.85 2.29 0.02 0.00 0.00 176.35 178.63 1du2 n LYS 3 N -0.19 1.00 -1.47 1.70 0.00 -1.26 -5.12 118.16 112.83 1du2 n LYS 3 Ca -0.16 -3.03 -0.49 0.00 -0.00 0.00 0.00 58.31 54.63 1du2 n LYS 3 Cb 0.64 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 34.14 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1du2 n ASN 4 N 0.25 -0.32 -2.87 -5.58 5.15 -1.26 -4.86 115.26 105.76 1du2 n ASN 4 Ca 0.19 1.14 -0.32 0.00 -0.60 0.00 0.00 54.58 54.99 1du2 n ASN 4 Cb 0.69 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1du2 n ASN 4 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1du2 n LEU 5 N 1.80 5.79 0.00 1.20 4.77 -1.26 -4.45 117.00 124.85 1du2 n LEU 5 Ca 0.17 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 1du2 n LEU 5 Cb 0.23 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1du2 n LEU 5 CO 0.58 2.12 0.00 0.00 -1.33 0.00 0.00 177.39 178.76 1du2 n ALA 6 N -0.38 2.66 -0.08 -1.18 0.00 -1.26 -4.97 120.51 115.30 1du2 n ALA 6 Ca 0.42 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 1du2 n ALA 6 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1du2 n ALA 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1du2 n LYS 7 N -2.26 0.49 -3.67 0.00 4.01 -1.26 -5.01 118.16 110.46 1du2 n LYS 7 Ca 0.00 0.48 -0.30 0.00 -0.51 0.00 0.00 58.31 57.97 1du2 n LYS 7 Cb 0.00 -1.65 0.02 0.00 -0.51 0.00 0.00 35.03 32.88 1du2 n LYS 7 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1du2 n LEU 8 N -4.55 -2.01 -2.09 -0.35 -0.00 -1.26 -4.88 117.00 101.86 1du2 n LEU 8 Ca -0.14 -0.66 -0.11 0.00 -0.00 0.00 0.00 56.01 55.10 1du2 n LEU 8 Cb 0.40 -1.56 0.05 0.00 -0.00 0.00 0.00 43.42 42.31 1du2 n LEU 8 CO 0.13 0.26 0.13 -0.67 -0.00 0.00 0.00 177.39 177.24 1du2 n ASP 9 N -1.65 3.23 -0.68 1.96 -0.08 -1.26 -4.91 116.55 113.17 1du2 n ASP 9 Ca -0.23 -3.10 -0.09 0.00 -1.51 0.00 0.00 54.79 49.86 1du2 n ASP 9 Cb 0.68 -0.40 -0.04 0.00 2.34 0.00 0.00 41.12 43.70 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1du2 n GLN 10 N -0.64 -1.74 0.08 -0.67 7.27 -1.26 -4.84 117.38 115.58 1du2 n GLN 10 Ca 0.27 0.81 -0.04 0.00 0.07 0.00 0.00 57.00 58.11 1du2 n GLN 10 Cb 0.90 -5.24 -0.02 0.00 2.41 0.00 0.00 30.24 28.29 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1du2 h THR 11 N 0.00 0.00 -0.15 1.69 2.02 -1.97 -3.21 112.91 111.29 1du2 h THR 11 Ca -0.18 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1du2 h THR 11 Cb 1.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1du2 h THR 11 CO 0.26 0.00 0.33 -0.08 0.37 0.00 0.00 175.52 176.40 1du2 h GLU 12 N -0.70 0.00 -0.24 6.66 4.81 -1.96 0.34 114.58 123.48 1du2 h GLU 12 Ca -0.03 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1du2 h GLU 12 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1du2 h GLU 12 CO 0.04 0.00 -0.17 0.52 -0.73 0.00 0.00 179.01 178.67 1du2 h MET 13 N 0.00 0.42 0.00 1.92 2.86 -1.94 1.40 114.93 119.59 1du2 h MET 13 Ca 0.07 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 1du2 h MET 13 Cb 0.73 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1du2 h MET 13 CO -0.00 0.59 -0.60 0.22 1.06 0.00 0.00 176.91 178.18 1du2 h ASP 14 N 0.39 0.00 0.16 1.22 3.58 -0.33 -2.87 116.42 118.58 1du2 h ASP 14 Ca 0.07 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.19 1du2 h ASP 14 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1du2 h ASP 14 CO 0.03 0.60 -1.67 0.11 -2.88 0.00 0.00 179.24 175.43 1du2 h LYS 15 N 0.00 0.34 0.00 0.28 6.56 -1.27 -3.25 116.57 119.23 1du2 h LYS 15 Ca -0.01 -0.59 0.00 0.00 -1.06 0.00 0.00 60.65 59.00 1du2 h LYS 15 Cb 1.13 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1du2 h LYS 15 CO 0.08 1.28 0.09 0.28 -2.06 0.00 0.00 179.45 179.12 1du2 h VAL 16 N -0.02 0.00 0.00 0.50 2.07 0.19 0.42 116.25 119.41 1du2 h VAL 16 Ca -0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1du2 h VAL 16 Cb 2.00 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1du2 h VAL 16 CO 0.14 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 176.49 1du2 h ASN 17 N 0.00 0.00 0.36 0.57 -1.24 -1.55 -3.29 115.58 110.42 1du2 h ASN 17 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1du2 h ASN 17 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1du2 h ASN 17 CO 0.00 0.62 0.00 0.52 -1.29 0.00 0.00 177.43 177.28 1du2 n VAL 18 N -4.73 1.25 0.31 2.57 0.31 -0.70 -2.21 118.33 115.13 1du2 n VAL 18 Ca -0.03 0.31 0.17 0.00 -0.01 0.00 0.00 64.34 64.78 1du2 n VAL 18 Cb 0.11 -1.13 0.89 0.00 -0.91 0.00 0.00 33.84 32.80 1du2 n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1du2 h ASP 19 N 0.00 0.00 0.72 4.52 3.58 -0.27 1.33 116.42 126.30 1du2 h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1du2 h ASP 19 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1du2 h ASP 19 CO 0.00 0.00 -1.15 0.18 -2.88 0.00 0.00 179.24 175.39 1du2 n LEU 20 N -2.82 0.66 0.00 2.28 4.32 -0.94 -4.48 117.00 116.02 1du2 n LEU 20 Ca -0.02 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1du2 n LEU 20 Cb 0.24 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1du2 n LEU 20 CO 0.14 -0.11 0.34 0.00 -1.22 0.00 0.00 177.39 176.55 1du2 n ALA 21 N -2.11 0.00 -3.00 -1.18 0.00 0.46 -4.92 120.51 109.75 1du2 n ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 21 Cb 0.53 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 22 N -1.86 0.00 -1.07 0.00 0.00 -1.26 -5.16 120.51 111.17 1du2 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1du2 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 23 N -3.00 0.00 -2.66 0.00 0.00 -1.26 -4.94 120.51 108.64 1du2 n ALA 23 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1du2 n ALA 23 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1du2 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1du2 n GLY 24 N 5.00 5.59 0.01 0.00 0.00 -1.26 -4.67 105.19 109.86 1du2 n GLY 24 Ca 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 46.02 43.33 1du2 n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1du2 n VAL 25 N -0.36 0.13 -0.30 1.61 0.31 -1.26 -3.35 118.33 115.11 1du2 n VAL 25 Ca 0.34 -0.05 0.22 0.00 -0.01 0.00 0.00 64.34 64.85 1du2 n VAL 25 Cb 0.58 -0.60 0.41 0.00 -0.91 0.00 0.00 33.84 33.33 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 n ALA 26 N -2.54 0.72 -3.15 3.52 0.00 -1.26 -1.41 120.51 116.39 1du2 n ALA 26 Ca -0.04 0.95 -0.20 0.00 0.00 0.00 0.00 53.44 54.15 1du2 n ALA 26 Cb 0.54 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1du2 n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1du2 n PHE 27 N -5.19 0.96 -2.14 0.00 7.35 -1.26 -3.91 117.46 113.27 1du2 n PHE 27 Ca 0.29 -3.84 0.00 0.00 -0.76 0.00 0.00 57.45 53.14 1du2 n PHE 27 Cb 0.96 -0.43 -0.00 0.00 0.35 0.00 0.00 39.48 40.36 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1du2 n LYS 28 N 0.29 0.00 -0.02 -4.13 3.00 -0.50 -4.58 118.16 112.21 1du2 n LYS 28 Ca 0.26 -1.11 0.13 0.00 -0.00 0.00 0.00 58.31 57.59 1du2 n LYS 28 Cb 0.59 -0.16 0.55 0.00 0.00 0.00 0.00 35.03 36.02 1du2 n LYS 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1du2 n GLU 29 N 0.14 1.50 -0.29 1.64 0.28 -1.26 -4.04 120.64 118.61 1du2 n GLU 29 Ca -0.02 -0.73 0.07 0.00 -0.16 0.00 0.00 57.16 56.32 1du2 n GLU 29 Cb 0.79 -1.44 0.22 0.00 1.43 0.00 0.00 31.44 32.44 1du2 n GLU 29 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1du2 h ARG 30 N 1.65 0.62 -0.91 3.44 2.43 -1.94 0.47 114.38 120.14 1du2 h ARG 30 Ca 0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1du2 h ARG 30 Cb 0.36 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1du2 h ARG 30 CO 0.00 0.41 0.15 2.48 -1.51 0.00 0.00 179.97 181.49 1du2 n TYR 31 N -4.86 1.14 -3.19 2.20 4.11 -1.26 -4.86 117.16 110.44 1du2 n TYR 31 Ca 0.17 -0.71 -0.10 0.00 -0.00 0.00 0.00 57.90 57.25 1du2 n TYR 31 Cb 0.42 -0.42 0.05 0.00 -0.00 0.00 0.00 39.34 39.38 1du2 n TYR 31 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1du2 n ASN 32 N 0.02 -7.02 -4.69 9.48 5.15 0.17 -4.93 115.26 113.44 1du2 n ASN 32 Ca 0.19 -0.50 -0.42 0.00 -0.60 0.00 0.00 54.58 53.25 1du2 n ASN 32 Cb 0.84 -5.22 -0.03 0.00 -0.53 0.00 0.00 39.78 34.85 1du2 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1du2 s MET 33 N -3.95 4.42 1.07 1.20 0.23 -1.22 -5.04 119.30 116.01 1du2 s MET 33 Ca 0.31 1.43 -0.17 0.00 -1.03 0.00 0.00 55.69 56.23 1du2 s MET 33 Cb -0.04 -3.54 0.23 0.00 -1.53 0.00 0.00 34.83 29.95 1du2 s MET 33 CO 0.75 -0.32 1.21 -1.25 -2.03 0.00 0.00 175.02 173.38 1du2 s PRO 34 N 1.99 -0.16 -0.47 3.16 0.04 -1.26 -4.82 135.00 133.48 1du2 s PRO 34 Ca 0.50 -0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 1du2 s PRO 34 Cb -0.19 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1du2 s PRO 34 CO 0.19 -2.98 1.69 1.33 0.04 0.00 0.00 177.00 177.27 1du2 n VAL 35 N -4.21 1.46 -3.99 -0.36 0.24 -1.26 -4.69 118.33 105.52 1du2 n VAL 35 Ca 0.14 -0.85 -0.09 0.00 -2.04 0.00 0.00 64.34 61.49 1du2 n VAL 35 Cb 0.59 -1.86 -0.08 0.00 -1.47 0.00 0.00 33.84 31.03 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1du2 s ILE 36 N 3.64 0.09 0.00 1.34 1.01 -1.26 -5.06 121.20 120.97 1du2 s ILE 36 Ca 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1du2 s ILE 36 Cb 0.07 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1du2 s ILE 36 CO -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 174.94 174.49 1du2 n ALA 37 N -0.15 1.99 0.36 9.38 0.00 -1.26 -4.40 120.51 126.43 1du2 n ALA 37 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1du2 n ALA 37 Cb 0.63 0.31 0.31 0.00 0.00 0.00 0.00 19.45 20.70 1du2 n ALA 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1du2 n GLU 38 N -2.11 0.05 -0.03 0.00 0.28 -1.26 -1.25 120.64 116.33 1du2 n GLU 38 Ca 0.00 0.36 0.07 0.00 -0.16 0.00 0.00 57.16 57.43 1du2 n GLU 38 Cb 0.49 -1.61 -0.17 0.00 1.43 0.00 0.00 31.44 31.59 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1du2 n ALA 39 N -1.58 2.57 0.03 -1.84 0.00 -1.26 -3.18 120.51 115.26 1du2 n ALA 39 Ca 0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 1du2 n ALA 39 Cb 0.14 -0.64 0.17 0.00 0.00 0.00 0.00 19.45 19.12 1du2 n ALA 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du2 h VAL 40 N 0.00 1.30 0.15 0.00 2.07 -1.38 -1.37 116.25 117.01 1du2 h VAL 40 Ca -0.10 -1.48 -0.34 0.00 0.82 0.00 0.00 66.70 65.60 1du2 h VAL 40 Cb 1.21 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1du2 h VAL 40 CO 0.01 0.46 -1.75 -0.08 0.02 0.00 0.00 177.57 176.23 1du2 h GLU 41 N 0.36 0.31 -0.46 1.57 4.81 -1.68 0.14 114.58 119.63 1du2 h GLU 41 Ca 0.04 -0.53 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1du2 h GLU 41 Cb 0.82 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1du2 h GLU 41 CO 0.07 1.20 0.31 -0.09 -0.73 0.00 0.00 179.01 179.76 1du2 h ARG 42 N 0.08 0.59 0.00 1.92 2.43 -1.50 -3.35 114.38 114.55 1du2 h ARG 42 Ca -0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1du2 h ARG 42 Cb 2.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1du2 h ARG 42 CO 0.15 0.39 0.00 0.39 -1.51 0.00 0.00 179.97 179.39 1du2 n GLU 43 N -4.47 0.00 -3.15 0.20 -0.58 -0.52 -5.02 120.64 107.10 1du2 n GLU 43 Ca 0.04 0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.87 1du2 n GLU 43 Cb 0.07 -0.34 -0.00 0.00 -0.57 0.00 0.00 31.44 30.61 1du2 n GLU 43 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1du2 s GLN 44 N -0.20 0.53 0.15 3.49 0.74 -0.78 -5.08 119.66 118.51 1du2 s GLN 44 Ca 0.00 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.63 1du2 s GLN 44 Cb 0.00 0.24 -0.07 0.00 1.10 0.00 0.00 33.01 34.27 1du2 s GLN 44 CO 0.00 -0.99 1.13 -1.25 -0.55 0.00 0.00 175.29 173.63 1du2 s PRO 45 N 2.84 4.55 0.04 1.67 0.04 0.41 -4.77 135.00 139.78 1du2 s PRO 45 Ca 0.11 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1du2 s PRO 45 Cb -0.09 -3.29 -0.12 0.00 0.04 0.00 0.00 34.50 31.03 1du2 s PRO 45 CO -0.26 -0.01 1.35 1.49 0.04 0.00 0.00 177.00 179.62 1du2 h GLU 46 N 5.45 -0.76 -1.76 4.56 4.22 -1.80 -1.62 114.58 122.87 1du2 h GLU 46 Ca -0.44 0.05 0.51 0.00 0.08 0.00 0.00 59.36 59.57 1du2 h GLU 46 Cb 1.21 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.56 1du2 h GLU 46 CO 0.74 -0.51 1.26 -2.39 -2.18 0.00 0.00 179.01 175.93 1du2 n HIS 47 N -4.31 0.04 0.11 0.92 1.44 -1.26 0.22 115.22 112.38 1du2 n HIS 47 Ca -0.10 0.04 -0.11 0.00 -2.01 0.00 0.00 57.72 55.54 1du2 n HIS 47 Cb 0.32 -0.49 -0.07 0.00 0.12 0.00 0.00 29.99 29.87 1du2 n HIS 47 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1du2 h LEU 48 N 0.00 -0.28 -1.31 2.39 -0.00 -1.71 0.53 115.31 114.93 1du2 h LEU 48 Ca 0.85 -0.25 0.36 0.00 -0.00 0.00 0.00 57.88 58.83 1du2 h LEU 48 Cb 3.37 0.07 -0.12 0.00 -0.00 0.00 0.00 40.66 43.98 1du2 h LEU 48 CO -0.04 0.20 0.73 0.08 -0.00 0.00 0.00 178.44 179.41 1du2 h ARG 49 N -0.86 0.23 0.11 1.13 0.11 0.32 1.44 114.38 116.85 1du2 h ARG 49 Ca -0.03 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 59.72 1du2 h ARG 49 Cb 0.51 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1du2 h ARG 49 CO 0.05 0.15 -1.58 0.77 0.10 0.00 0.00 179.97 179.46 1du2 h SER 50 N 0.23 0.35 0.46 0.08 0.02 -1.31 -0.43 113.55 112.95 1du2 h SER 50 Ca 0.73 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1du2 h SER 50 Cb 2.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1du2 h SER 50 CO -0.42 1.44 0.00 0.79 -1.14 0.00 0.00 176.83 177.50 1du2 n TRP 51 N -3.42 0.00 -0.07 3.45 5.03 0.26 0.20 117.44 122.89 1du2 n TRP 51 Ca -0.18 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.26 1du2 n TRP 51 Cb 1.04 -0.40 -0.08 0.00 -1.03 0.00 0.00 31.31 30.85 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1du2 n PHE 52 N -1.40 0.00 0.92 -5.99 3.01 0.42 -4.52 117.46 109.91 1du2 n PHE 52 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 1du2 n PHE 52 Cb 0.17 -0.59 0.17 0.00 -0.01 0.00 0.00 39.48 39.22 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1du2 n ARG 53 N -2.78 2.29 -0.62 -1.08 0.63 -0.18 -4.45 116.66 110.47 1du2 n ARG 53 Ca -0.25 -1.89 0.47 0.00 -0.92 0.00 0.00 57.85 55.26 1du2 n ARG 53 Cb 0.82 -1.47 0.73 0.00 0.45 0.00 0.00 32.46 32.99 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1du2 n GLU 54 N 1.25 -0.00 -1.39 -0.14 0.00 0.54 -2.86 120.64 118.04 1du2 n GLU 54 Ca 0.16 0.99 -0.41 0.00 0.00 0.00 0.00 57.16 57.89 1du2 n GLU 54 Cb 0.57 -2.24 -0.05 0.00 0.00 0.00 0.00 31.44 29.72 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 55 N -3.80 1.68 -1.80 3.44 0.63 -1.26 -4.39 116.66 111.16 1du2 n ARG 55 Ca 0.40 -2.05 -0.01 0.00 -0.92 0.00 0.00 57.85 55.26 1du2 n ARG 55 Cb 1.78 -3.09 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1du2 n LEU 56 N 8.48 -3.84 0.00 6.15 0.00 -1.13 -5.09 117.00 121.57 1du2 n LEU 56 Ca 0.49 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.58 1du2 n LEU 56 Cb 0.41 -1.97 0.00 0.00 0.00 0.00 0.00 43.42 41.87 1du2 n LEU 56 CO 0.96 -1.53 0.00 0.00 0.00 0.00 0.00 177.39 176.83 1du2 n ILE 57 N 0.75 0.00 -2.62 1.96 0.13 -1.24 -4.99 119.36 113.35 1du2 n ILE 57 Ca -0.11 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.52 1du2 n ILE 57 Cb 0.17 0.00 0.05 0.00 -0.84 0.00 0.00 39.64 39.01 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1du2 n ALA 58 N -3.00 -0.41 -0.90 1.51 0.00 -1.26 -5.15 120.51 111.30 1du2 n ALA 58 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1du2 n ALA 58 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1du2 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1du2 n HIS 59 N -0.62 -1.84 -3.48 0.00 8.25 -1.26 -4.71 115.22 111.55 1du2 n HIS 59 Ca -0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.96 1du2 n HIS 59 Cb 0.69 0.27 -0.06 0.00 1.12 0.00 0.00 29.99 32.00 1du2 n HIS 59 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1du2 s ARG 60 N 0.00 4.10 -0.08 -0.41 3.00 -1.26 -5.04 118.95 119.25 1du2 s ARG 60 Ca 0.00 0.30 -0.32 0.00 -1.00 0.00 0.00 55.73 54.70 1du2 s ARG 60 Cb 0.00 -3.34 0.13 0.00 0.00 0.00 0.00 34.95 31.75 1du2 s ARG 60 CO 0.00 0.42 1.32 -1.17 0.00 0.00 0.00 175.30 175.87 1du2 s LEU 61 N -0.17 -0.05 0.00 -0.88 0.20 -1.26 -5.11 118.68 111.39 1du2 s LEU 61 Ca 0.22 -0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.96 1du2 s LEU 61 Cb -0.15 1.28 0.00 0.00 -0.43 0.00 0.00 46.19 46.89 1du2 s LEU 61 CO 0.09 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.95 1du2 n ALA 62 N -0.39 0.00 -1.16 5.97 0.00 -1.26 -5.02 120.51 118.65 1du2 n ALA 62 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1du2 n ALA 62 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 1du2 n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1du2 n SER 63 N -1.48 -3.92 0.00 0.00 7.64 -1.26 -4.97 113.62 109.63 1du2 n SER 63 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1du2 n SER 63 Cb 0.00 -1.90 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1du2 n VAL 64 N -2.76 0.00 0.03 0.44 0.31 -1.26 -4.95 118.33 110.14 1du2 n VAL 64 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 1du2 n VAL 64 Cb 0.22 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.14 1du2 n VAL 64 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1du2 h ASN 65 N 0.00 -0.10 -4.58 4.52 -0.73 -1.94 -3.50 115.58 109.26 1du2 h ASN 65 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1du2 h ASN 65 Cb 0.00 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1du2 h ASN 65 CO 0.00 0.10 -0.45 -0.11 -0.37 0.00 0.00 177.43 176.59 1du2 n LEU 66 N -3.27 -6.22 -4.95 0.34 7.94 -1.26 -5.03 117.00 104.55 1du2 n LEU 66 Ca -0.01 0.57 -0.23 0.00 -1.11 0.00 0.00 56.01 55.22 1du2 n LEU 66 Cb 0.05 -2.69 0.03 0.00 0.53 0.00 0.00 43.42 41.34 1du2 n LEU 66 CO 0.04 -1.85 0.38 -0.44 -1.11 0.00 0.00 177.39 174.41 1du2 s SER 67 N -1.85 5.51 -0.30 1.96 0.01 -1.26 -5.11 113.70 112.67 1du2 s SER 67 Ca 0.12 0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.49 1du2 s SER 67 Cb -0.03 -1.30 0.18 0.00 0.21 0.00 0.00 66.02 65.08 1du2 s SER 67 CO 0.55 -1.00 1.15 -0.60 0.41 0.00 0.00 173.24 173.75 1du2 s ARG 68 N -4.76 0.16 0.35 12.44 3.00 -1.26 -5.17 118.95 123.72 1du2 s ARG 68 Ca 0.53 0.34 -0.13 0.00 -1.00 0.00 0.00 55.73 55.48 1du2 s ARG 68 Cb -0.10 0.13 -0.08 0.00 0.00 0.00 0.00 34.95 34.90 1du2 s ARG 68 CO 0.40 -0.04 0.74 -0.48 0.00 0.00 0.00 175.30 175.92 1du2 s LEU 69 N 1.68 3.97 0.73 -0.88 2.34 -1.26 -5.06 118.68 120.19 1du2 s LEU 69 Ca -0.05 1.20 -0.11 0.00 0.06 0.00 0.00 54.13 55.23 1du2 s LEU 69 Cb -0.03 -4.03 0.03 0.00 -0.56 0.00 0.00 46.19 41.60 1du2 s LEU 69 CO -0.14 -0.28 1.07 -2.16 -1.06 0.00 0.00 176.35 173.78 1du2 s PRO 70 N -3.36 2.63 -0.18 1.48 0.04 -1.26 -5.08 135.00 129.28 1du2 s PRO 70 Ca 0.53 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1du2 s PRO 70 Cb -0.10 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.59 1du2 s PRO 70 CO 0.24 -1.28 0.95 -0.47 0.04 0.00 0.00 177.00 176.48 1du2 s TYR 71 N -3.08 -0.45 -0.31 0.56 5.04 -1.26 -5.14 117.35 112.71 1du2 s TYR 71 Ca 0.59 0.88 -0.12 0.00 -2.44 0.00 0.00 57.07 55.98 1du2 s TYR 71 Cb -0.14 0.42 0.19 0.00 0.35 0.00 0.00 41.96 42.77 1du2 s TYR 71 CO 0.55 -0.35 1.09 -2.00 -1.34 0.00 0.00 175.55 173.50 1du2 s GLU 72 N -0.72 0.11 1.04 4.97 -6.30 -1.26 -5.17 118.70 111.36 1du2 s GLU 72 Ca -0.02 0.03 -0.16 0.00 -2.50 0.00 0.00 54.97 52.32 1du2 s GLU 72 Cb -0.02 0.03 0.22 0.00 0.00 0.00 0.00 34.13 34.36 1du2 s GLU 72 CO 0.01 -0.17 1.20 -1.25 0.02 0.00 0.00 175.26 175.06 1du2 s PRO 73 N 2.53 0.06 -0.25 4.30 0.04 -1.26 -5.10 135.00 135.31 1du2 s PRO 73 Ca 0.23 -0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.86 1du2 s PRO 73 Cb 0.01 -1.75 0.18 0.00 0.04 0.00 0.00 34.50 32.98 1du2 s PRO 73 CO -0.19 -2.85 1.27 0.21 0.04 0.00 0.00 177.00 175.48 1du2 s LYS 74 N -5.56 0.19 0.00 4.56 2.36 -1.26 -5.14 119.74 114.88 1du2 s LYS 74 Ca 0.70 0.04 0.00 0.00 -2.55 0.00 0.00 55.97 54.16 1du2 s LYS 74 Cb -0.09 0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.78 1du2 s LYS 74 CO 0.54 -0.06 0.00 -0.11 1.55 0.00 0.00 175.35 177.27 1du2 n LEU 75 N 0.54 0.00 0.00 5.43 -0.00 -1.26 -5.37 117.00 116.34 1du2 n LEU 75 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1du2 n LEU 75 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1du2 n LEU 75 CO 0.09 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.65