#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 s HIS 2 N 0.00 3.72 0.00 0.00 0.00 -1.26 -4.04 115.29 113.70 1iw4 s HIS 2 Ca 0.00 -1.97 0.00 0.00 -3.00 0.00 0.00 55.06 50.09 1iw4 s HIS 2 Cb 0.00 -3.88 0.00 0.00 -4.00 0.00 0.00 32.58 24.70 1iw4 s HIS 2 CO 0.00 -1.05 0.00 0.00 -1.00 0.00 0.00 174.74 172.69 1iw4 n MET 3 N 4.23 0.00 -1.64 -0.38 -0.00 -1.26 -4.88 117.12 113.18 1iw4 n MET 3 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.43 1iw4 n MET 3 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 33.22 33.69 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1iw4 n ASP 4 N -0.74 1.81 0.00 3.17 -0.08 -1.26 -4.96 116.55 114.48 1iw4 n ASP 4 Ca 0.00 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1iw4 n ASP 4 Cb 0.00 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.08 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iw4 n THR 6 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.74 114.28 107.24 1iw4 n THR 6 Ca 0.00 1.17 0.00 0.00 -2.04 0.00 0.00 64.05 63.18 1iw4 n THR 6 Cb 0.00 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 1iw4 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iw4 n GLU 7 N -1.91 0.00 0.00 -2.82 1.02 -1.26 -5.01 120.64 110.65 1iw4 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iw4 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1iw4 n GLU 7 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1iw4 n PHE 8 N 0.00 0.00 0.12 -0.32 7.35 -1.26 -5.06 117.46 118.29 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1iw4 n PHE 8 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1iw4 h ASN 9 N 0.00 -0.28 -0.08 -2.13 2.35 -2.05 -3.33 115.58 110.06 1iw4 h ASN 9 Ca 0.00 -0.24 -0.53 0.00 -0.55 0.00 0.00 56.30 54.98 1iw4 h ASN 9 Cb 0.00 0.07 0.06 0.00 0.05 0.00 0.00 38.32 38.50 1iw4 h ASN 9 CO 0.00 0.13 1.67 -0.81 -1.65 0.00 0.00 177.43 176.77 1iw4 n PRO 10 N -5.06 0.99 0.00 0.81 -0.04 -1.26 -4.88 135.00 125.56 1iw4 n PRO 10 Ca -0.09 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1iw4 n PRO 10 Cb 0.26 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 1iw4 n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iw4 n LEU 11 N 9.99 0.00 0.00 1.53 7.99 -1.25 -3.88 117.00 131.38 1iw4 n LEU 11 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 1iw4 n LEU 11 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1iw4 n LEU 11 CO 0.99 -0.41 0.00 0.00 -1.51 0.00 0.00 177.39 176.46 1iw4 n ARG 13 N 0.00 1.92 -3.89 0.00 3.00 -1.25 -4.69 116.66 111.75 1iw4 n ARG 13 Ca 0.00 -2.11 -0.30 0.00 -0.00 0.00 0.00 57.85 55.44 1iw4 n ARG 13 Cb 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 32.46 30.47 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 h ASN 15 N 8.03 0.00 0.00 0.00 -0.26 -2.01 -3.43 115.58 117.91 1iw4 h ASN 15 Ca -0.18 -0.60 0.00 0.00 -0.56 0.00 0.00 56.30 54.96 1iw4 h ASN 15 Cb 1.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1iw4 h ASN 15 CO 0.40 0.87 0.00 1.17 -1.06 0.00 0.00 177.43 178.80 1iw4 n LYS 16 N -4.65 0.00 -0.56 0.81 3.00 -1.26 -4.45 118.16 111.05 1iw4 n LYS 16 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.18 1iw4 n LYS 16 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.35 1iw4 n LYS 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1iw4 n MET 17 N 0.00 0.00 -2.68 1.64 2.81 -1.26 -3.66 117.12 113.97 1iw4 n MET 17 Ca 0.00 -0.19 -0.05 0.00 -1.81 0.00 0.00 57.70 55.65 1iw4 n MET 17 Cb 0.00 -1.33 0.09 0.00 -0.71 0.00 0.00 33.22 31.27 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1iw4 n LEU 18 N 3.89 -1.55 0.00 4.03 -0.00 -1.26 -4.94 117.00 117.18 1iw4 n LEU 18 Ca 0.05 -2.45 0.00 0.00 -0.00 0.00 0.00 56.01 53.61 1iw4 n LEU 18 Cb 0.12 0.87 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 1iw4 n LEU 18 CO 0.28 1.67 0.00 0.61 -0.00 0.00 0.00 177.39 179.95 1iw4 n GLY 19 N 0.19 -0.40 3.52 1.47 0.00 -1.16 -4.91 105.19 103.89 1iw4 n GLY 19 Ca -0.06 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1iw4 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iw4 s ASP 20 N -1.00 0.56 -1.17 1.61 1.11 -0.82 -4.64 116.67 112.31 1iw4 s ASP 20 Ca 0.00 0.82 -0.08 0.00 0.18 0.00 0.00 52.55 53.47 1iw4 s ASP 20 Cb 0.00 -1.19 0.24 0.00 1.07 0.00 0.00 42.92 43.03 1iw4 s ASP 20 CO 0.00 -4.36 1.53 0.00 1.18 0.00 0.00 175.17 173.52 1iw4 n LEU 21 N -4.95 6.13 -4.80 1.23 -0.00 -1.26 -3.69 117.00 109.65 1iw4 n LEU 21 Ca 0.11 -4.88 -0.35 0.00 -0.00 0.00 0.00 56.01 50.90 1iw4 n LEU 21 Cb 0.59 -1.43 -0.06 0.00 -0.00 0.00 0.00 43.42 42.51 1iw4 n LEU 21 CO 0.47 1.37 0.66 -0.51 -0.00 0.00 0.00 177.39 179.37 1iw4 s ILE 22 N -0.78 4.25 -0.64 1.47 -1.16 -0.38 -1.55 121.20 122.40 1iw4 s ILE 22 Ca 0.36 1.57 0.01 0.00 -0.51 0.00 0.00 60.65 62.08 1iw4 s ILE 22 Cb 0.02 -3.74 0.16 0.00 0.61 0.00 0.00 42.46 39.51 1iw4 s ILE 22 CO 0.02 -0.13 0.44 0.00 -2.81 0.00 0.00 174.94 172.46 1iw4 s ALA 24 N -0.56 3.00 -0.08 0.00 0.00 0.60 -0.51 121.76 124.21 1iw4 s ALA 24 Ca 0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1iw4 s ALA 24 Cb -0.18 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1iw4 s ALA 24 CO -0.06 -1.06 0.24 0.08 0.00 0.00 0.00 175.76 174.97 1iw4 s VAL 25 N -3.27 0.01 -0.72 0.00 1.01 0.17 0.26 120.40 117.85 1iw4 s VAL 25 Ca 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 1iw4 s VAL 25 Cb -0.11 -0.37 0.18 0.00 0.00 0.00 0.00 36.38 36.08 1iw4 s VAL 25 CO 0.50 -0.05 0.55 0.27 0.00 0.00 0.00 175.10 176.37 1iw4 s ILE 26 N -0.09 3.68 0.00 2.22 -0.00 0.66 -3.06 121.20 124.60 1iw4 s ILE 26 Ca -0.02 -3.56 0.00 0.00 -0.00 0.00 0.00 60.65 57.07 1iw4 s ILE 26 Cb -0.02 -3.37 0.00 0.00 -0.00 0.00 0.00 42.46 39.07 1iw4 s ILE 26 CO 0.01 -0.97 0.00 0.61 -0.00 0.00 0.00 174.94 174.59 1iw4 n GLY 27 N 2.76 0.81 0.64 6.27 0.00 -1.26 -2.26 105.19 112.16 1iw4 n GLY 27 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1iw4 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iw4 n ASP 28 N 1.99 -0.08 -3.81 1.61 5.75 -1.26 -5.06 116.55 115.69 1iw4 n ASP 28 Ca 0.00 -1.46 -0.30 0.00 -0.01 0.00 0.00 54.79 53.02 1iw4 n ASP 28 Cb 0.00 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 39.92 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iw4 s ALA 29 N 0.00 1.82 0.21 2.12 0.00 -0.96 -5.12 121.76 119.84 1iw4 s ALA 29 Ca 0.02 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 1iw4 s ALA 29 Cb 0.03 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.42 1iw4 s ALA 29 CO -0.01 -1.61 0.56 0.21 0.00 0.00 0.00 175.76 174.91 1iw4 s LYS 30 N 1.47 3.86 0.12 0.00 2.20 -1.26 -0.25 119.74 125.88 1iw4 s LYS 30 Ca 0.08 0.35 -0.24 0.00 -0.36 0.00 0.00 55.97 55.80 1iw4 s LYS 30 Cb -0.18 -2.71 0.07 0.00 -1.51 0.00 0.00 37.83 33.51 1iw4 s LYS 30 CO -0.19 0.35 0.62 -2.00 -0.36 0.00 0.00 175.35 173.77 1iw4 s GLU 31 N -2.60 1.23 0.16 4.03 -6.30 0.14 -4.95 118.70 110.41 1iw4 s GLU 31 Ca 0.45 -0.36 -0.09 0.00 -2.50 0.00 0.00 54.97 52.47 1iw4 s GLU 31 Cb -0.12 0.57 -0.06 0.00 0.00 0.00 0.00 34.13 34.51 1iw4 s GLU 31 CO 0.20 -0.52 0.48 -1.21 0.02 0.00 0.00 175.26 174.23 1iw4 s GLU 32 N -3.35 3.78 -0.02 4.30 2.02 -1.26 -0.29 118.70 123.89 1iw4 s GLU 32 Ca -0.01 0.21 -0.05 0.00 0.02 0.00 0.00 54.97 55.15 1iw4 s GLU 32 Cb -0.01 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1iw4 s GLU 32 CO -0.09 0.43 0.11 -1.01 0.02 0.00 0.00 175.26 174.72 1iw4 s HIS 33 N -1.62 -0.02 -0.03 1.61 3.76 0.88 -4.92 115.29 114.94 1iw4 s HIS 33 Ca 0.41 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.36 1iw4 s HIS 33 Cb -0.13 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.54 1iw4 s HIS 33 CO 0.21 -0.15 -0.03 0.00 -0.85 0.00 0.00 174.74 173.91 1iw4 h ARG 34 N 5.22 0.00 -4.52 1.40 -0.00 -1.84 -1.00 114.38 113.65 1iw4 h ARG 34 Ca -0.28 0.00 -0.69 0.00 -0.50 0.00 0.00 59.98 58.52 1iw4 h ARG 34 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.13 1iw4 h ARG 34 CO 0.42 0.00 2.79 0.09 0.00 0.00 0.00 179.97 183.27 1iw4 n ASN 35 N -2.86 3.98 -0.26 7.04 4.13 -1.26 -1.95 115.26 124.08 1iw4 n ASN 35 Ca -0.01 -2.84 0.33 0.00 1.68 0.00 0.00 54.58 53.74 1iw4 n ASN 35 Cb 0.05 -1.64 0.70 0.00 -1.54 0.00 0.00 39.78 37.35 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1iw4 h MET 36 N 6.64 0.00 0.88 3.52 1.85 -1.84 0.01 114.93 125.99 1iw4 h MET 36 Ca 0.52 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.57 1iw4 h MET 36 Cb 0.71 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.74 1iw4 h MET 36 CO 1.78 0.00 -0.42 0.00 -0.40 0.00 0.00 176.91 177.86 1iw4 h ALA 38 N -1.26 1.13 0.03 0.00 0.00 -1.28 -1.67 119.26 116.21 1iw4 h ALA 38 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iw4 h ALA 38 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1iw4 h ALA 38 CO 0.20 -0.13 -0.01 -0.07 0.00 0.00 0.00 179.25 179.23 1iw4 h LEU 39 N 0.00 -0.03 -0.79 0.00 -0.00 -0.80 -0.16 115.31 113.52 1iw4 h LEU 39 Ca 0.00 -0.65 -0.07 0.00 -0.00 0.00 0.00 57.88 57.16 1iw4 h LEU 39 Cb 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1iw4 h LEU 39 CO 0.00 0.66 -0.34 0.00 -0.00 0.00 0.00 178.44 178.76 1iw4 n GLU 42 N -3.39 0.65 -1.96 0.00 2.13 -0.07 -4.91 120.64 113.09 1iw4 n GLU 42 Ca -0.11 0.11 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1iw4 n GLU 42 Cb 1.01 -1.67 0.17 0.00 0.27 0.00 0.00 31.44 31.22 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1iw4 s HIS 43 N -2.75 1.83 -0.82 4.31 3.76 0.15 -4.86 115.29 116.91 1iw4 s HIS 43 Ca -0.06 0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 55.02 1iw4 s HIS 43 Cb 0.08 -3.97 -0.19 0.00 1.11 0.00 0.00 32.58 29.61 1iw4 s HIS 43 CO 0.83 -2.46 2.14 -2.30 -0.85 0.00 0.00 174.74 172.11 1iw4 n PRO 44 N -3.65 0.27 -2.84 8.40 -0.02 -1.26 -3.35 135.00 132.55 1iw4 n PRO 44 Ca 0.14 -0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 60.80 1iw4 n PRO 44 Cb 0.60 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 1iw4 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iw4 n GLY 45 N 6.12 -0.46 1.60 -1.23 0.00 -1.26 -1.40 105.19 108.55 1iw4 n GLY 45 Ca 0.46 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 1iw4 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iw4 n GLY 46 N -0.60 0.27 0.00 -0.02 0.00 -1.15 -5.05 105.19 98.65 1iw4 n GLY 46 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1iw4 n GLY 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iw4 n PHE 47 N -1.35 0.00 -4.10 1.61 1.16 -0.49 -4.67 117.46 109.62 1iw4 n PHE 47 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 1iw4 n PHE 47 Cb 0.50 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.26 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1iw4 s GLU 48 N 0.00 0.64 0.27 3.97 -1.05 -1.17 -4.33 118.70 117.04 1iw4 s GLU 48 Ca 0.00 -0.90 0.03 0.00 -0.15 0.00 0.00 54.97 53.94 1iw4 s GLU 48 Cb 0.00 -0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.27 1iw4 s GLU 48 CO 0.00 0.06 0.17 1.52 0.95 0.00 0.00 175.26 177.96 1iw4 s TYR 49 N -1.76 1.50 -0.47 4.83 1.13 -1.26 0.42 117.35 121.73 1iw4 s TYR 49 Ca -0.04 -1.41 0.06 0.00 -1.41 0.00 0.00 57.07 54.27 1iw4 s TYR 49 Cb -0.07 -0.75 0.18 0.00 -1.10 0.00 0.00 41.96 40.22 1iw4 s TYR 49 CO -0.00 -0.61 0.62 -1.12 -2.51 0.00 0.00 175.55 171.93 1iw4 s SER 50 N -3.31 -0.77 0.21 -0.18 0.01 0.33 -3.91 113.70 106.10 1iw4 s SER 50 Ca 0.38 -1.81 -0.32 0.00 1.31 0.00 0.00 55.95 55.50 1iw4 s SER 50 Cb 0.05 1.40 -0.13 0.00 0.21 0.00 0.00 66.02 67.55 1iw4 s SER 50 CO 0.17 -0.10 1.53 0.59 0.41 0.00 0.00 173.24 175.84 1iw4 n ASN 51 N 3.24 3.14 0.00 2.44 4.13 -1.26 -2.00 115.26 124.95 1iw4 n ASN 51 Ca 0.18 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.56 1iw4 n ASN 51 Cb 0.54 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iw4 n GLY 52 N 2.84 1.22 3.58 7.41 0.00 -0.60 -4.90 105.19 114.74 1iw4 n GLY 52 Ca 0.14 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1iw4 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iw4 s PRO 53 N -1.19 3.16 0.04 1.61 0.04 -1.26 -4.55 135.00 132.85 1iw4 s PRO 53 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1iw4 s PRO 53 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1iw4 s PRO 53 CO 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 177.00 174.95