#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 n LEU 2 N 0.00 -2.19 -3.61 -0.89 -0.00 -1.26 -5.15 117.00 103.90 1du2 n LEU 2 Ca 0.00 -2.49 -0.07 0.00 -0.00 0.00 0.00 56.01 53.45 1du2 n LEU 2 Cb 0.00 0.70 -0.02 0.00 -0.00 0.00 0.00 43.42 44.10 1du2 n LEU 2 CO 0.00 1.76 0.61 -0.75 -0.00 0.00 0.00 177.39 179.01 1du2 s LYS 3 N 0.49 1.16 -0.25 1.47 2.20 -1.26 -5.18 119.74 118.37 1du2 s LYS 3 Ca 0.29 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1du2 s LYS 3 Cb 0.20 0.46 0.18 0.00 -1.51 0.00 0.00 37.83 37.16 1du2 s LYS 3 CO -0.16 -0.52 1.27 -0.80 -0.36 0.00 0.00 175.35 174.78 1du2 s ASN 4 N -2.74 -0.12 1.03 1.43 0.01 -1.26 -5.16 114.94 108.13 1du2 s ASN 4 Ca 0.07 0.13 -0.16 0.00 -0.71 0.00 0.00 52.86 52.20 1du2 s ASN 4 Cb -0.02 0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.80 1du2 s ASN 4 CO -0.04 -0.11 0.16 0.00 -1.51 0.00 0.00 177.10 175.59 1du2 n LEU 5 N 0.57 -1.38 -2.45 0.60 -0.00 -1.26 -4.47 117.00 108.62 1du2 n LEU 5 Ca -0.03 0.12 -0.02 0.00 -0.00 0.00 0.00 56.01 56.09 1du2 n LEU 5 Cb 0.59 -1.07 -0.01 0.00 -0.00 0.00 0.00 43.42 42.92 1du2 n LEU 5 CO 0.09 -3.45 -0.45 0.00 -0.00 0.00 0.00 177.39 173.58 1du2 n ALA 6 N -3.93 -3.47 0.01 1.47 0.00 -1.26 -4.97 120.51 108.37 1du2 n ALA 6 Ca 0.04 0.93 -0.18 0.00 0.00 0.00 0.00 53.44 54.22 1du2 n ALA 6 Cb 0.58 -1.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 1du2 n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1du2 h LYS 7 N 2.74 0.20 0.00 0.00 3.64 -2.06 -3.48 116.57 117.62 1du2 h LYS 7 Ca -0.15 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1du2 h LYS 7 Cb 0.35 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1du2 h LYS 7 CO 0.06 1.17 0.00 1.47 -2.27 0.00 0.00 179.45 179.87 1du2 n LEU 8 N -4.26 0.00 -2.60 5.20 -0.00 -1.26 -5.09 117.00 108.99 1du2 n LEU 8 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.83 1du2 n LEU 8 Cb 0.72 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.17 1du2 n LEU 8 CO 0.44 0.00 0.58 0.47 -0.00 0.00 0.00 177.39 178.87 1du2 n ASP 9 N 0.00 -1.26 -0.02 1.45 8.00 -1.26 -4.98 116.55 118.49 1du2 n ASP 9 Ca 0.00 -1.81 0.05 0.00 0.71 0.00 0.00 54.79 53.74 1du2 n ASP 9 Cb 0.00 0.93 -0.12 0.00 -0.02 0.00 0.00 41.12 41.91 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1du2 n GLN 10 N -0.54 0.67 0.01 -1.24 7.27 -1.26 -4.38 117.38 117.90 1du2 n GLN 10 Ca -0.20 -0.12 0.22 0.00 0.07 0.00 0.00 57.00 56.97 1du2 n GLN 10 Cb 0.69 -1.37 0.73 0.00 2.41 0.00 0.00 30.24 32.70 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 0.50 0.00 1.69 2.02 -1.97 0.71 112.91 115.87 1du2 h THR 11 Ca -0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1du2 h THR 11 Cb 0.92 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1du2 h THR 11 CO 0.00 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 175.58 1du2 h GLU 12 N 0.00 0.00 -0.24 6.66 4.81 -1.96 -2.13 114.58 121.72 1du2 h GLU 12 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1du2 h GLU 12 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1du2 h GLU 12 CO -0.00 0.24 0.16 0.00 -0.73 0.00 0.00 179.01 178.67 1du2 h MET 13 N 0.00 0.31 0.00 1.92 -0.00 0.18 1.67 114.93 119.01 1du2 h MET 13 Ca -0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.70 59.52 1du2 h MET 13 Cb 0.47 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 31.98 1du2 h MET 13 CO 0.03 0.21 -1.07 0.22 -0.00 0.00 0.00 176.91 176.30 1du2 h ASP 14 N 0.32 0.00 0.29 -0.10 1.82 -1.48 -3.29 116.42 113.98 1du2 h ASP 14 Ca 0.09 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.39 1du2 h ASP 14 Cb -0.04 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.01 1du2 h ASP 14 CO -0.02 0.61 -1.49 0.11 -1.61 0.00 0.00 179.24 176.84 1du2 h LYS 15 N 0.00 0.51 0.00 0.28 6.56 -0.71 -3.09 116.57 120.12 1du2 h LYS 15 Ca -0.10 -0.88 0.00 0.00 -1.06 0.00 0.00 60.65 58.61 1du2 h LYS 15 Cb 1.55 0.33 0.00 0.00 -0.57 0.00 0.00 32.23 33.54 1du2 h LYS 15 CO 0.06 1.42 0.00 1.55 -2.06 0.00 0.00 179.45 180.42 1du2 n VAL 16 N -3.69 1.02 -0.04 0.50 3.14 0.55 0.55 118.33 120.36 1du2 n VAL 16 Ca -0.17 0.70 -0.01 0.00 -2.96 0.00 0.00 64.34 61.90 1du2 n VAL 16 Cb 1.10 -1.69 -0.00 0.00 -1.06 0.00 0.00 33.84 32.18 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1du2 h ASN 17 N 0.00 0.00 0.26 6.55 -1.24 -1.61 -3.34 115.58 116.21 1du2 h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1du2 h ASN 17 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1du2 h ASN 17 CO 0.00 0.39 0.00 0.52 -1.29 0.00 0.00 177.43 177.05 1du2 n VAL 18 N -3.81 1.11 0.07 2.57 0.31 -1.02 -1.67 118.33 115.88 1du2 n VAL 18 Ca -0.02 0.51 0.18 0.00 -0.01 0.00 0.00 64.34 65.01 1du2 n VAL 18 Cb 0.07 -1.48 0.71 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.94 4.52 1.82 -0.01 0.50 116.42 124.18 1du2 h ASP 19 Ca 0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 1du2 h ASP 19 Cb 0.13 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1du2 h ASP 19 CO 0.00 0.00 -1.14 0.25 -1.61 0.00 0.00 179.24 176.74 1du2 h LEU 20 N 0.00 0.00 0.00 2.28 5.85 -1.51 -3.39 115.31 118.54 1du2 h LEU 20 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1du2 h LEU 20 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1du2 h LEU 20 CO -0.00 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1du2 n ALA 21 N -2.37 -0.05 -2.54 1.25 0.00 0.17 -4.86 120.51 112.10 1du2 n ALA 21 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1du2 n ALA 21 Cb 0.88 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 20.28 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 s ALA 22 N -2.25 3.09 -1.22 0.00 0.00 -1.01 -5.03 121.76 115.33 1du2 s ALA 22 Ca 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 51.96 50.14 1du2 s ALA 22 Cb 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1du2 s ALA 22 CO 0.00 0.13 0.78 0.00 0.00 0.00 0.00 175.76 176.67 1du2 n ALA 23 N -0.87 2.58 0.00 0.00 0.00 -1.26 -4.59 120.51 116.37 1du2 n ALA 23 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1du2 n ALA 23 Cb 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.68 0.90 0.09 0.00 0.00 -1.26 -4.23 105.19 101.36 1du2 n GLY 24 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -0.44 1.61 0.31 -1.26 -3.62 118.33 114.93 1du2 n VAL 25 Ca 0.00 0.01 0.37 0.00 -0.01 0.00 0.00 64.34 64.70 1du2 n VAL 25 Cb 0.00 -0.61 0.67 0.00 -0.91 0.00 0.00 33.84 32.99 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 h ALA 26 N -0.24 2.90 0.23 3.52 0.00 -1.97 0.13 119.26 123.82 1du2 h ALA 26 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1du2 h ALA 26 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1du2 h ALA 26 CO 0.00 -1.43 -0.48 0.74 0.00 0.00 0.00 179.25 178.08 1du2 h PHE 27 N 0.11 -1.39 -0.23 0.00 0.04 -2.00 -3.37 116.94 110.10 1du2 h PHE 27 Ca 0.75 0.03 0.25 0.00 2.80 0.00 0.00 57.97 61.80 1du2 h PHE 27 Cb 2.52 0.57 -0.26 0.00 2.20 0.00 0.00 35.95 40.99 1du2 h PHE 27 CO -0.00 -0.58 0.44 -1.59 -0.60 0.00 0.00 178.31 175.98 1du2 s LYS 28 N -5.57 0.07 0.29 1.51 -2.85 0.44 -3.64 119.74 109.99 1du2 s LYS 28 Ca -0.16 0.18 0.20 0.00 -1.00 0.00 0.00 55.97 55.19 1du2 s LYS 28 Cb 0.05 0.11 1.01 0.00 -2.06 0.00 0.00 37.83 36.93 1du2 s LYS 28 CO 0.56 -0.04 1.08 -0.85 0.10 0.00 0.00 175.35 176.21 1du2 n GLU 29 N 4.79 -0.03 0.00 1.78 0.00 -1.23 -4.64 120.64 121.31 1du2 n GLU 29 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 57.16 57.98 1du2 n GLU 29 Cb 0.55 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 30 N -4.20 0.00 -0.38 3.44 0.63 -1.26 -3.44 116.66 111.45 1du2 n ARG 30 Ca 0.28 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.27 1du2 n ARG 30 Cb 1.04 0.00 0.19 0.00 0.45 0.00 0.00 32.46 34.13 1du2 n ARG 30 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1du2 n TYR 31 N 0.00 0.35 -2.86 -0.14 4.11 -1.26 -4.98 117.16 112.38 1du2 n TYR 31 Ca 0.00 -1.19 -0.07 0.00 -0.00 0.00 0.00 57.90 56.64 1du2 n TYR 31 Cb 0.00 -0.26 0.03 0.00 -0.00 0.00 0.00 39.34 39.12 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 -1.14 -6.17 -4.79 9.48 2.85 -1.22 -4.98 115.26 109.29 1du2 n ASN 32 Ca 0.20 -0.37 -0.35 0.00 -0.11 0.00 0.00 54.58 53.95 1du2 n ASN 32 Cb 0.76 -4.41 -0.05 0.00 1.24 0.00 0.00 39.78 37.32 1du2 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1du2 s MET 33 N -3.67 4.27 0.72 1.20 0.23 -1.25 -5.06 119.30 115.73 1du2 s MET 33 Ca 0.22 1.34 -0.12 0.00 -1.03 0.00 0.00 55.69 56.11 1du2 s MET 33 Cb -0.03 -2.48 0.17 0.00 -1.53 0.00 0.00 34.83 30.96 1du2 s MET 33 CO 0.60 -0.02 0.79 -0.35 -2.03 0.00 0.00 175.02 174.02 1du2 n PRO 34 N -0.12 -1.61 -0.46 3.16 -0.04 -1.26 -4.80 135.00 129.86 1du2 n PRO 34 Ca 0.05 -1.24 -0.12 0.00 -0.04 0.00 0.00 63.50 62.15 1du2 n PRO 34 Cb 0.51 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 1du2 n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1du2 n VAL 35 N -3.61 1.48 -3.78 0.52 0.31 -1.26 -4.68 118.33 107.31 1du2 n VAL 35 Ca 0.10 -0.85 -0.11 0.00 -0.01 0.00 0.00 64.34 63.48 1du2 n VAL 35 Cb 0.38 -1.85 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1du2 s ILE 36 N 3.43 0.10 -0.08 2.52 1.01 -1.26 -5.05 121.20 121.86 1du2 s ILE 36 Ca 0.26 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1du2 s ILE 36 Cb 0.08 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 1du2 s ILE 36 CO -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 174.94 174.49 1du2 n ALA 37 N 0.43 1.81 0.30 9.38 0.00 -1.26 -4.27 120.51 126.90 1du2 n ALA 37 Ca -0.18 -0.49 0.09 0.00 0.00 0.00 0.00 53.44 52.86 1du2 n ALA 37 Cb 0.60 0.12 0.42 0.00 0.00 0.00 0.00 19.45 20.59 1du2 n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1du2 n GLU 38 N -2.38 0.12 -0.00 0.00 2.13 -1.26 -1.07 120.64 118.17 1du2 n GLU 38 Ca -0.13 0.46 0.05 0.00 0.66 0.00 0.00 57.16 58.19 1du2 n GLU 38 Cb 0.74 -1.77 -0.13 0.00 0.27 0.00 0.00 31.44 30.54 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1du2 n ALA 39 N -1.69 2.37 0.06 4.31 0.00 -1.26 -2.91 120.51 121.38 1du2 n ALA 39 Ca 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 1du2 n ALA 39 Cb 0.14 -0.72 0.22 0.00 0.00 0.00 0.00 19.45 19.09 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 1.28 0.13 0.00 2.07 -1.28 0.96 116.25 119.41 1du2 h VAL 40 Ca -0.14 -1.36 -0.34 0.00 0.82 0.00 0.00 66.70 65.68 1du2 h VAL 40 Cb 1.34 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1du2 h VAL 40 CO 0.01 0.42 -1.80 -0.33 0.02 0.00 0.00 177.57 175.89 1du2 h GLU 41 N 0.31 0.27 -0.03 1.57 5.08 -1.66 -0.36 114.58 119.75 1du2 h GLU 41 Ca 0.04 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1du2 h GLU 41 Cb 0.73 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1du2 h GLU 41 CO 0.06 1.14 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.85 1du2 h ARG 42 N 0.07 0.05 0.00 2.33 2.43 -1.45 -3.37 114.38 114.44 1du2 h ARG 42 Ca -0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1du2 h ARG 42 Cb 2.05 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1du2 h ARG 42 CO 0.13 0.31 0.00 0.39 -1.51 0.00 0.00 179.97 179.29 1du2 n GLU 43 N -4.21 0.00 -3.22 0.20 -0.58 0.32 -5.01 120.64 108.15 1du2 n GLU 43 Ca -0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 57.16 56.75 1du2 n GLU 43 Cb 0.33 -0.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 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 -0.19 0.49 0.08 3.49 -0.44 -0.84 -5.07 119.66 117.18 1du2 s GLN 44 Ca 0.00 0.42 -0.30 0.00 -2.50 0.00 0.00 55.36 52.97 1du2 s GLN 44 Cb 0.00 0.02 -0.06 0.00 -1.64 0.00 0.00 33.01 31.33 1du2 s GLN 44 CO 0.00 -0.99 1.16 -1.25 0.50 0.00 0.00 175.29 174.71 1du2 s PRO 45 N 2.71 4.47 0.08 1.67 0.04 -0.21 -4.73 135.00 139.04 1du2 s PRO 45 Ca 0.11 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 1du2 s PRO 45 Cb -0.12 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 30.91 1du2 s PRO 45 CO -0.27 -0.18 1.64 1.49 0.04 0.00 0.00 177.00 179.72 1du2 h GLU 46 N 6.49 -0.74 -0.89 4.56 4.81 -1.73 -2.61 114.58 124.46 1du2 h GLU 46 Ca -0.42 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.07 1du2 h GLU 46 Cb 1.21 0.17 -0.16 0.00 0.63 0.00 0.00 28.75 30.60 1du2 h GLU 46 CO 0.79 -0.49 -0.05 1.12 -0.73 0.00 0.00 179.01 179.64 1du2 h HIS 47 N -0.77 -0.17 -1.36 0.92 2.07 -1.87 2.28 115.15 116.25 1du2 h HIS 47 Ca -0.07 0.07 0.40 0.00 -2.85 0.00 0.00 60.37 57.92 1du2 h HIS 47 Cb 0.61 0.22 -0.05 0.00 2.57 0.00 0.00 27.41 30.76 1du2 h HIS 47 CO -0.07 -0.36 1.04 -0.07 -3.07 0.00 0.00 177.93 175.41 1du2 h LEU 48 N 0.04 0.00 -1.05 6.12 -0.00 -1.78 1.79 115.31 120.42 1du2 h LEU 48 Ca 0.49 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.41 1du2 h LEU 48 Cb 0.90 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.50 1du2 h LEU 48 CO -0.84 0.00 0.64 0.08 -0.00 0.00 0.00 178.44 178.31 1du2 h ARG 49 N 0.00 1.17 0.00 1.13 0.11 0.38 0.91 114.38 118.09 1du2 h ARG 49 Ca 0.65 -0.07 -0.28 0.00 0.10 0.00 0.00 59.98 60.38 1du2 h ARG 49 Cb 2.73 -0.26 -0.05 0.00 1.11 0.00 0.00 29.97 33.49 1du2 h ARG 49 CO -0.01 0.77 -2.20 0.43 0.10 0.00 0.00 179.97 179.07 1du2 n SER 50 N -4.45 0.48 0.21 0.08 7.64 0.49 -1.98 113.62 116.09 1du2 n SER 50 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.09 1du2 n SER 50 Cb 0.12 1.11 0.42 0.00 -1.01 0.00 0.00 64.21 64.85 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1du2 h TRP 51 N 0.00 0.00 0.00 1.43 -0.00 0.20 1.67 115.95 119.26 1du2 h TRP 51 Ca -0.41 0.00 -0.34 0.00 -0.00 0.00 0.00 58.89 58.13 1du2 h TRP 51 Cb 1.93 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 31.02 1du2 h TRP 51 CO 0.00 0.31 -2.30 0.34 -0.00 0.00 0.00 178.44 176.79 1du2 n PHE 52 N -3.57 0.00 1.24 0.49 7.35 0.32 -4.36 117.46 118.91 1du2 n PHE 52 Ca -0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 1du2 n PHE 52 Cb 0.44 -0.89 0.38 0.00 0.35 0.00 0.00 39.48 39.76 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1du2 n ARG 53 N -3.05 1.89 -0.28 -4.13 0.00 -0.84 -4.40 116.66 105.86 1du2 n ARG 53 Ca -0.38 -1.31 0.25 0.00 -0.00 0.00 0.00 57.85 56.41 1du2 n ARG 53 Cb 0.98 -1.46 0.43 0.00 0.00 0.00 0.00 32.46 32.41 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1du2 n GLU 54 N 0.56 -0.03 -0.65 -0.14 0.28 0.57 0.19 120.64 121.42 1du2 n GLU 54 Ca 0.17 0.88 0.50 0.00 -0.16 0.00 0.00 57.16 58.55 1du2 n GLU 54 Cb 0.42 -1.67 0.78 0.00 1.43 0.00 0.00 31.44 32.40 1du2 n GLU 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1du2 n ARG 55 N -4.24 -0.01 -2.68 3.44 5.12 -1.26 -3.23 116.66 113.80 1du2 n ARG 55 Ca 0.27 1.09 -0.05 0.00 -1.93 0.00 0.00 57.85 57.23 1du2 n ARG 55 Cb 0.98 -2.44 0.07 0.00 -1.16 0.00 0.00 32.46 29.91 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1du2 n LEU 56 N -4.03 -1.56 -0.34 0.55 0.00 0.51 -5.04 117.00 107.09 1du2 n LEU 56 Ca 0.43 -2.05 -0.10 0.00 0.00 0.00 0.00 56.01 54.30 1du2 n LEU 56 Cb 1.90 0.63 -0.09 0.00 0.00 0.00 0.00 43.42 45.86 1du2 n LEU 56 CO 0.39 1.65 0.48 -0.29 0.00 0.00 0.00 177.39 179.62 1du2 h ILE 57 N 1.55 0.00 -3.04 1.96 2.10 -1.45 -3.47 117.51 115.15 1du2 h ILE 57 Ca -0.22 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.76 1du2 h ILE 57 Cb 1.18 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.88 1du2 h ILE 57 CO -0.10 0.00 -0.84 0.00 -1.08 0.00 0.00 178.15 176.13 1du2 n ALA 58 N -3.20 -1.93 -0.31 0.18 0.00 -1.26 -4.64 120.51 109.36 1du2 n ALA 58 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1du2 n ALA 58 Cb 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1du2 n ALA 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1du2 n HIS 59 N -2.66 0.00 -0.86 0.00 -0.00 -1.26 -4.91 115.22 105.53 1du2 n HIS 59 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.82 1du2 n HIS 59 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.37 1du2 n HIS 59 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1du2 n ARG 60 N 0.00 -1.87 -1.05 1.57 0.63 -1.26 -5.04 116.66 109.64 1du2 n ARG 60 Ca 0.00 1.41 0.11 0.00 -0.92 0.00 0.00 57.85 58.45 1du2 n ARG 60 Cb 0.00 -2.23 -0.06 0.00 0.45 0.00 0.00 32.46 30.62 1du2 n ARG 60 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1du2 n LEU 61 N -3.56 -0.82 0.05 6.15 4.77 -1.26 -5.06 117.00 117.27 1du2 n LEU 61 Ca -0.03 1.80 0.00 0.00 -0.03 0.00 0.00 56.01 57.75 1du2 n LEU 61 Cb 0.40 -2.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1du2 n LEU 61 CO 0.02 -1.40 0.00 0.00 -1.33 0.00 0.00 177.39 174.68 1du2 n ALA 62 N -3.49 0.01 -2.42 -1.18 0.00 -1.26 -5.13 120.51 107.04 1du2 n ALA 62 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1du2 n ALA 62 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.68 -0.71 0.00 0.00 7.64 -1.26 -5.03 113.62 111.58 1du2 n SER 63 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1du2 n SER 63 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 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 1.46 0.00 -0.09 0.44 0.31 -1.24 -4.79 118.33 114.42 1du2 n VAL 64 Ca -0.36 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 1du2 n VAL 64 Cb 0.55 -0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.77 1du2 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1du2 n ASN 65 N -2.43 1.94 -0.27 4.52 2.85 -1.26 -4.62 115.26 115.99 1du2 n ASN 65 Ca 0.00 0.34 -0.07 0.00 -0.11 0.00 0.00 54.58 54.74 1du2 n ASN 65 Cb 0.29 -0.75 -0.07 0.00 1.24 0.00 0.00 39.78 40.49 1du2 n ASN 65 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1du2 h LEU 66 N -1.00 -1.43 -1.53 1.20 5.85 -1.87 -3.47 115.31 113.06 1du2 h LEU 66 Ca -0.07 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1du2 h LEU 66 Cb 1.04 0.63 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1du2 h LEU 66 CO -0.04 -0.16 -0.98 -1.20 -0.34 0.00 0.00 178.44 175.72 1du2 n SER 67 N -4.49 -9.23 -4.20 1.25 7.64 -1.26 -5.07 113.62 98.26 1du2 n SER 67 Ca 0.01 1.49 -0.13 0.00 1.01 0.00 0.00 58.87 61.25 1du2 n SER 67 Cb 0.17 -5.20 -0.10 0.00 -1.01 0.00 0.00 64.21 58.08 1du2 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1du2 s ARG 68 N -0.59 1.24 -0.20 1.43 1.70 -1.26 -5.01 118.95 116.27 1du2 s ARG 68 Ca 0.00 -1.66 -0.06 0.00 -0.47 0.00 0.00 55.73 53.54 1du2 s ARG 68 Cb 0.00 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1du2 s ARG 68 CO 0.00 -0.38 0.21 -0.11 -1.08 0.00 0.00 175.30 173.94 1du2 n LEU 69 N -0.31 -5.05 0.00 -1.89 -0.00 -1.26 -5.06 117.00 103.44 1du2 n LEU 69 Ca 0.02 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1du2 n LEU 69 Cb 0.66 -2.22 0.00 0.00 -0.00 0.00 0.00 43.42 41.86 1du2 n LEU 69 CO 0.34 -1.34 0.00 -0.81 -0.00 0.00 0.00 177.39 175.57 1du2 n PRO 70 N -0.16 0.36 -2.09 1.96 -0.04 -1.26 -5.00 135.00 128.77 1du2 n PRO 70 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1du2 n PRO 70 Cb 0.16 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.64 1du2 n PRO 70 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1du2 n TYR 71 N -1.10 2.95 -1.09 0.54 0.18 -1.26 -5.08 117.16 112.30 1du2 n TYR 71 Ca 0.00 -2.49 -0.37 0.00 1.88 0.00 0.00 57.90 56.92 1du2 n TYR 71 Cb 0.00 -0.36 0.04 0.00 -0.38 0.00 0.00 39.34 38.64 1du2 n TYR 71 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1du2 n GLU 72 N -0.66 0.02 0.01 -3.48 0.28 -1.26 -4.89 120.64 110.66 1du2 n GLU 72 Ca 0.44 0.02 -0.19 0.00 -0.16 0.00 0.00 57.16 57.27 1du2 n GLU 72 Cb 0.86 -1.19 -0.09 0.00 1.43 0.00 0.00 31.44 32.45 1du2 n GLU 72 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1du2 h PRO 73 N -0.67 0.68 -3.40 3.44 0.13 -1.98 -3.50 132.00 126.69 1du2 h PRO 73 Ca -0.43 -0.66 0.08 0.00 -0.87 0.00 0.00 66.00 64.12 1du2 h PRO 73 Cb 1.35 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.60 1du2 h PRO 73 CO 0.32 1.26 -0.97 1.17 -0.23 0.00 0.00 178.00 179.54 1du2 n LYS 74 N -3.96 -3.63 -2.54 0.86 3.00 -1.26 -4.93 118.16 105.69 1du2 n LYS 74 Ca -0.10 2.86 -0.06 0.00 -0.00 0.00 0.00 58.31 61.01 1du2 n LYS 74 Cb 0.79 -3.68 0.03 0.00 0.00 0.00 0.00 35.03 32.16 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1du2 n LEU 75 N -2.95 -4.56 0.00 3.14 7.94 -1.26 -5.31 117.00 114.01 1du2 n LEU 75 Ca -0.02 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1du2 n LEU 75 Cb 0.50 -2.29 0.00 0.00 0.53 0.00 0.00 43.42 42.16 1du2 n LEU 75 CO 0.01 -0.24 0.00 2.29 -1.11 0.00 0.00 177.39 178.34