#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 3.57 0.00 0.00 2.46 -1.26 0.67 115.29 120.72 1iw4 s HIS 2 Ca 0.00 -2.67 0.00 0.00 0.47 0.00 0.00 55.06 52.86 1iw4 s HIS 2 Cb 0.00 -2.60 0.00 0.00 -0.13 0.00 0.00 32.58 29.85 1iw4 s HIS 2 CO 0.00 -0.92 0.00 -1.33 -2.47 0.00 0.00 174.74 170.02 1iw4 n MET 3 N 4.36 0.00 -1.49 2.88 2.81 -1.26 -5.03 117.12 119.40 1iw4 n MET 3 Ca -0.03 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.69 1iw4 n MET 3 Cb 0.42 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.78 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1iw4 n ASP 4 N -0.84 -0.22 -2.26 7.83 -0.08 -1.26 -4.78 116.55 114.93 1iw4 n ASP 4 Ca 0.00 -1.03 -0.06 0.00 -1.51 0.00 0.00 54.79 52.19 1iw4 n ASP 4 Cb 0.00 -0.99 0.02 0.00 2.34 0.00 0.00 41.12 42.49 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iw4 h THR 6 N 1.68 0.54 0.00 0.00 1.35 -1.86 -3.44 112.91 111.18 1iw4 h THR 6 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1iw4 h THR 6 Cb 0.85 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1iw4 h THR 6 CO 0.29 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.94 1iw4 n GLU 7 N -3.92 0.00 0.00 4.72 1.02 -1.26 -4.62 120.64 116.58 1iw4 n GLU 7 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1iw4 n GLU 7 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 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 -0.01 -0.32 -0.00 -1.26 -5.06 117.46 110.81 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1iw4 n PHE 8 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.38 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1iw4 h ASN 9 N 0.00 0.00 -3.17 -2.13 4.21 -2.03 -3.38 115.58 109.08 1iw4 h ASN 9 Ca 0.00 -0.49 -0.74 0.00 1.21 0.00 0.00 56.30 56.28 1iw4 h ASN 9 Cb 0.00 -0.00 -0.22 0.00 -1.12 0.00 0.00 38.32 36.98 1iw4 h ASN 9 CO 0.00 0.49 0.37 -2.16 -1.29 0.00 0.00 177.43 174.84 1iw4 s PRO 10 N -4.24 3.52 1.12 0.81 0.04 -1.26 -5.05 135.00 129.94 1iw4 s PRO 10 Ca -0.16 -2.05 -0.17 0.00 0.04 0.00 0.00 61.00 58.66 1iw4 s PRO 10 Cb 0.02 -4.59 0.19 0.00 0.04 0.00 0.00 34.50 30.16 1iw4 s PRO 10 CO 0.67 -1.50 0.34 1.28 0.04 0.00 0.00 177.00 177.84 1iw4 n LEU 11 N 5.23 -1.47 0.00 -3.56 4.77 -1.26 -3.85 117.00 116.86 1iw4 n LEU 11 Ca 0.14 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1iw4 n LEU 11 Cb 0.47 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1iw4 n LEU 11 CO 0.43 -3.43 0.00 0.00 -1.33 0.00 0.00 177.39 173.06 1iw4 n ARG 13 N 0.00 1.44 -3.79 0.00 0.63 -1.25 -4.62 116.66 109.07 1iw4 n ARG 13 Ca 0.00 -0.95 -0.26 0.00 -0.92 0.00 0.00 57.85 55.72 1iw4 n ARG 13 Cb 0.00 -1.37 -0.17 0.00 0.45 0.00 0.00 32.46 31.37 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iw4 h ASN 15 N 8.23 0.00 0.00 0.00 -0.26 -2.01 -3.42 115.58 118.13 1iw4 h ASN 15 Ca -0.20 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1iw4 h ASN 15 Cb 1.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1iw4 h ASN 15 CO 0.33 0.86 0.00 1.17 -1.06 0.00 0.00 177.43 178.73 1iw4 n LYS 16 N -4.63 0.00 -0.08 0.81 4.81 -1.26 -4.52 118.16 113.28 1iw4 n LYS 16 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.32 1iw4 n LYS 16 Cb 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.34 1iw4 n LYS 16 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1iw4 n MET 17 N 0.00 0.20 -2.68 1.64 2.81 -1.26 -3.32 117.12 114.51 1iw4 n MET 17 Ca 0.00 -0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 55.47 1iw4 n MET 17 Cb 0.00 -1.82 0.09 0.00 -0.71 0.00 0.00 33.22 30.78 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 4.04 -1.56 0.00 4.03 -0.00 -1.26 -4.82 117.00 117.42 1iw4 n LEU 18 Ca 0.04 -2.46 0.00 0.00 -0.00 0.00 0.00 56.01 53.59 1iw4 n LEU 18 Cb 0.04 0.91 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 1iw4 n LEU 18 CO 0.40 1.70 0.00 0.61 -0.00 0.00 0.00 177.39 180.10 1iw4 n GLY 19 N 0.27 2.94 2.54 1.47 0.00 -1.21 -5.07 105.19 106.14 1iw4 n GLY 19 Ca -0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1iw4 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 20 N 0.00 -2.79 -3.76 1.61 8.00 -1.24 -4.89 116.55 113.48 1iw4 n ASP 20 Ca 0.00 -0.37 -0.30 0.00 0.71 0.00 0.00 54.79 54.83 1iw4 n ASP 20 Cb 0.00 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.31 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1iw4 s LEU 21 N 0.00 2.20 -0.13 0.64 0.20 -1.26 -4.15 118.68 116.18 1iw4 s LEU 21 Ca 0.28 -1.51 -0.05 0.00 0.69 0.00 0.00 54.13 53.54 1iw4 s LEU 21 Cb -0.05 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 1iw4 s LEU 21 CO 0.24 -0.39 0.06 -0.51 -0.29 0.00 0.00 176.35 175.46 1iw4 s ILE 22 N 1.61 4.77 -0.89 6.68 -1.16 0.85 0.25 121.20 133.31 1iw4 s ILE 22 Ca 0.07 -0.06 -0.10 0.00 -0.51 0.00 0.00 60.65 60.05 1iw4 s ILE 22 Cb -0.17 -3.07 0.23 0.00 0.61 0.00 0.00 42.46 40.05 1iw4 s ILE 22 CO -0.21 0.56 0.82 0.00 -2.81 0.00 0.00 174.94 173.30 1iw4 s ALA 24 N -0.45 3.28 0.01 0.00 0.00 0.10 -0.36 121.76 124.33 1iw4 s ALA 24 Ca 0.22 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1iw4 s ALA 24 Cb -0.11 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1iw4 s ALA 24 CO -0.08 0.08 -0.03 0.08 0.00 0.00 0.00 175.76 175.80 1iw4 s VAL 25 N -1.37 0.24 0.38 0.00 1.01 0.11 0.26 120.40 121.02 1iw4 s VAL 25 Ca 0.47 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1iw4 s VAL 25 Cb -0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1iw4 s VAL 25 CO 0.31 -0.05 0.05 2.30 0.00 0.00 0.00 175.10 177.71 1iw4 n ILE 26 N 2.69 0.00 -0.36 2.22 -0.00 0.10 -2.27 119.36 121.74 1iw4 n ILE 26 Ca -0.15 -1.94 0.29 0.00 -0.00 0.00 0.00 62.75 60.95 1iw4 n ILE 26 Cb 0.58 0.52 0.47 0.00 -0.00 0.00 0.00 39.64 41.21 1iw4 n ILE 26 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1iw4 n GLY 27 N -0.04 -0.58 0.81 3.28 0.00 -1.26 -2.53 105.19 104.87 1iw4 n GLY 27 Ca -0.12 0.48 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 1iw4 n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iw4 n ASP 28 N -3.76 -0.65 -3.71 1.61 2.03 -1.26 -5.10 116.55 105.71 1iw4 n ASP 28 Ca 0.27 -1.41 -0.29 0.00 0.52 0.00 0.00 54.79 53.89 1iw4 n ASP 28 Cb 1.12 0.19 -0.16 0.00 -0.72 0.00 0.00 41.12 41.56 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 s ALA 29 N 0.00 1.23 -0.44 -1.67 0.00 -1.05 -5.09 121.76 114.74 1iw4 s ALA 29 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1iw4 s ALA 29 Cb 0.00 -1.42 0.09 0.00 0.00 0.00 0.00 23.12 21.79 1iw4 s ALA 29 CO 0.00 -1.47 0.31 -1.59 0.00 0.00 0.00 175.76 173.01 1iw4 s LYS 30 N 1.76 2.66 0.42 0.00 0.00 -1.26 -0.72 119.74 122.60 1iw4 s LYS 30 Ca 0.05 -1.52 0.04 0.00 0.00 0.00 0.00 55.97 54.55 1iw4 s LYS 30 Cb -0.17 -3.89 -0.05 0.00 0.00 0.00 0.00 37.83 33.71 1iw4 s LYS 30 CO -0.20 -1.03 0.03 -1.21 0.00 0.00 0.00 175.35 172.94 1iw4 s GLU 31 N 1.46 1.95 0.27 1.78 8.01 0.14 -4.96 118.70 127.34 1iw4 s GLU 31 Ca 0.04 -2.15 0.08 0.00 0.01 0.00 0.00 54.97 52.95 1iw4 s GLU 31 Cb -0.24 -1.33 -0.04 0.00 -4.31 0.00 0.00 34.13 28.21 1iw4 s GLU 31 CO 0.02 -0.21 0.09 -1.21 0.01 0.00 0.00 175.26 173.97 1iw4 s GLU 32 N -3.79 2.55 -0.06 1.61 0.41 -1.26 0.02 118.70 118.18 1iw4 s GLU 32 Ca 0.27 -1.29 -0.29 0.00 -0.41 0.00 0.00 54.97 53.24 1iw4 s GLU 32 Cb 0.07 -2.32 0.07 0.00 -1.78 0.00 0.00 34.13 30.16 1iw4 s GLU 32 CO 0.13 0.34 0.65 -1.01 -0.49 0.00 0.00 175.26 174.88 1iw4 s HIS 33 N -2.26 -0.62 -0.24 1.61 3.76 0.12 -4.89 115.29 112.77 1iw4 s HIS 33 Ca 0.33 1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 56.18 1iw4 s HIS 33 Cb -0.07 0.37 -0.17 0.00 1.11 0.00 0.00 32.58 33.83 1iw4 s HIS 33 CO 0.22 -0.57 -0.05 0.54 -0.85 0.00 0.00 174.74 174.03 1iw4 n ARG 34 N 1.06 0.60 -1.47 1.40 1.74 -1.26 -0.10 116.66 118.62 1iw4 n ARG 34 Ca -0.19 0.39 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 1iw4 n ARG 34 Cb 0.57 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 1iw4 n ARG 34 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1iw4 n ASN 35 N -4.20 6.68 0.09 0.55 4.05 -1.26 -3.67 115.26 117.51 1iw4 n ASN 35 Ca -0.43 -2.68 0.19 0.00 0.45 0.00 0.00 54.58 52.11 1iw4 n ASN 35 Cb 0.82 -1.59 0.57 0.00 1.23 0.00 0.00 39.78 40.81 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1iw4 h MET 36 N 5.45 0.00 0.40 1.20 1.85 -1.89 -0.99 114.93 120.95 1iw4 h MET 36 Ca 0.74 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.82 1iw4 h MET 36 Cb 0.43 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.46 1iw4 h MET 36 CO 1.83 0.00 -0.19 0.00 -0.40 0.00 0.00 176.91 178.15 1iw4 h ALA 38 N -1.59 2.32 0.02 0.00 0.00 -1.43 0.16 119.26 118.74 1iw4 h ALA 38 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1iw4 h ALA 38 Cb 0.41 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iw4 h ALA 38 CO 0.09 -0.95 -0.28 -0.07 0.00 0.00 0.00 179.25 178.04 1iw4 h LEU 39 N 0.00 0.22 -1.65 0.00 3.38 -1.35 0.43 115.31 116.34 1iw4 h LEU 39 Ca 0.27 -0.83 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1iw4 h LEU 39 Cb 1.58 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1iw4 h LEU 39 CO -0.00 1.02 -0.20 0.00 0.09 0.00 0.00 178.44 179.35 1iw4 n GLU 42 N -3.37 1.96 -1.88 0.00 2.13 0.15 -5.00 120.64 114.65 1iw4 n GLU 42 Ca -0.28 -3.17 -0.30 0.00 0.66 0.00 0.00 57.16 54.06 1iw4 n GLU 42 Cb 1.05 -1.92 0.04 0.00 0.27 0.00 0.00 31.44 30.89 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1iw4 s HIS 43 N -3.28 3.33 0.42 4.31 -3.43 0.19 -4.85 115.29 111.98 1iw4 s HIS 43 Ca 0.48 1.07 0.13 0.00 -0.80 0.00 0.00 55.06 55.93 1iw4 s HIS 43 Cb 0.43 -3.05 0.98 0.00 -1.43 0.00 0.00 32.58 29.51 1iw4 s HIS 43 CO 0.02 -1.16 1.95 -1.35 -2.00 0.00 0.00 174.74 172.20 1iw4 h PRO 44 N -0.64 0.47 0.00 -0.38 0.11 -1.96 -3.40 132.00 126.20 1iw4 h PRO 44 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1iw4 h PRO 44 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iw4 h PRO 44 CO 0.64 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 1iw4 n GLY 45 N -1.50 -1.29 3.56 -0.55 0.00 -1.26 -4.98 105.19 99.17 1iw4 n GLY 45 Ca 0.12 0.55 -0.20 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 0.00 -0.38 0.00 -0.02 0.00 -1.26 -5.00 105.19 98.53 1iw4 n GLY 46 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.35 0.00 -3.72 1.61 1.16 -1.26 -4.98 117.46 105.92 1iw4 n PHE 47 Ca -0.22 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.28 1iw4 n PHE 47 Cb 0.64 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.49 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 1.56 0.15 3.97 -1.05 -0.96 -4.49 118.70 117.88 1iw4 s GLU 48 Ca 0.00 -0.79 -0.20 0.00 -0.15 0.00 0.00 54.97 53.83 1iw4 s GLU 48 Cb 0.00 0.58 0.05 0.00 -0.44 0.00 0.00 34.13 34.32 1iw4 s GLU 48 CO 0.00 -0.71 0.52 1.52 0.95 0.00 0.00 175.26 177.54 1iw4 s TYR 49 N -3.79 -0.35 -0.31 4.83 -0.85 0.21 0.05 117.35 117.14 1iw4 s TYR 49 Ca 0.08 0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.69 1iw4 s TYR 49 Cb -0.04 0.43 0.12 0.00 0.38 0.00 0.00 41.96 42.85 1iw4 s TYR 49 CO 0.01 -0.81 0.16 -1.54 -1.52 0.00 0.00 175.55 171.84 1iw4 s SER 50 N -2.79 3.29 0.16 -0.18 1.04 0.51 -4.50 113.70 111.23 1iw4 s SER 50 Ca 0.03 -1.65 -0.33 0.00 0.48 0.00 0.00 55.95 54.49 1iw4 s SER 50 Cb -0.00 -0.36 -0.16 0.00 0.10 0.00 0.00 66.02 65.60 1iw4 s SER 50 CO -0.11 -0.39 1.04 0.59 0.98 0.00 0.00 173.24 175.36 1iw4 n ASN 51 N 4.77 0.79 0.00 7.02 4.13 -1.26 -2.04 115.26 128.67 1iw4 n ASN 51 Ca 0.01 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.42 1iw4 n ASN 51 Cb 0.40 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.49 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 1.88 3.80 3.64 7.41 0.00 0.70 -4.85 105.19 117.77 1iw4 n GLY 52 Ca 0.16 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.22 3.86 0.00 1.61 0.04 -1.26 -4.37 135.00 131.67 1iw4 s PRO 53 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1iw4 s PRO 53 Cb 0.00 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1iw4 s PRO 53 CO 0.00 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.82