#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 n HIS 2 N 0.00 -0.25 -1.10 0.00 -0.00 -1.19 -4.67 115.22 108.01 1iw4 n HIS 2 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 1iw4 n HIS 2 Cb 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.21 1iw4 n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iw4 s MET 3 N -0.79 -0.66 0.00 1.57 0.00 -1.26 -3.83 119.30 114.33 1iw4 s MET 3 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 55.69 55.84 1iw4 s MET 3 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 34.83 33.19 1iw4 s MET 3 CO 0.00 -3.38 0.00 -3.47 0.00 0.00 0.00 175.02 168.17 1iw4 n ASP 4 N -4.57 0.00 -4.23 -1.18 2.03 -1.26 -4.99 116.55 102.35 1iw4 n ASP 4 Ca 0.10 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 1iw4 n ASP 4 Cb 0.59 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.16 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 n THR 6 N -3.75 0.00 0.00 0.00 5.66 -1.26 -5.01 114.28 109.92 1iw4 n THR 6 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1iw4 n THR 6 Cb 0.60 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1iw4 n THR 6 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1iw4 n GLU 7 N 0.00 0.00 -1.46 1.09 -0.00 -1.26 -5.16 120.64 113.85 1iw4 n GLU 7 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.10 1iw4 n GLU 7 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.46 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1iw4 n PHE 8 N 0.00 -2.92 0.09 -1.84 3.72 -1.26 -5.04 117.46 110.20 1iw4 n PHE 8 Ca 0.00 -0.58 -0.12 0.00 -0.05 0.00 0.00 57.45 56.70 1iw4 n PHE 8 Cb 0.00 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.29 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1iw4 h ASN 9 N -0.03 -0.22 -0.04 4.37 2.35 -2.06 -3.34 115.58 116.61 1iw4 h ASN 9 Ca -0.08 -0.28 -0.60 0.00 -0.55 0.00 0.00 56.30 54.78 1iw4 h ASN 9 Cb 0.35 0.06 0.07 0.00 0.05 0.00 0.00 38.32 38.85 1iw4 h ASN 9 CO 0.11 0.21 1.95 -0.81 -1.65 0.00 0.00 177.43 177.24 1iw4 n PRO 10 N -5.01 1.13 0.00 0.81 -0.04 -1.26 -4.89 135.00 125.73 1iw4 n PRO 10 Ca -0.09 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1iw4 n PRO 10 Cb 0.25 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1iw4 n PRO 10 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1iw4 n LEU 11 N 8.58 0.00 0.00 1.53 -0.00 -1.26 -3.91 117.00 121.95 1iw4 n LEU 11 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 1iw4 n LEU 11 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1iw4 n LEU 11 CO 1.04 -0.52 0.00 0.00 -0.00 0.00 0.00 177.39 177.92 1iw4 n ARG 13 N 0.00 2.13 -3.96 0.00 1.85 -1.25 -4.60 116.66 110.83 1iw4 n ARG 13 Ca 0.00 -2.61 -0.31 0.00 -1.00 0.00 0.00 57.85 53.94 1iw4 n ARG 13 Cb 0.00 -2.02 -0.15 0.00 -1.05 0.00 0.00 32.46 29.24 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iw4 n ASN 15 N 3.96 1.19 -3.00 0.00 5.03 -1.26 -4.54 115.26 116.64 1iw4 n ASN 15 Ca 0.04 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1iw4 n ASN 15 Cb 0.39 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 1iw4 n ASN 15 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1iw4 n LYS 16 N -3.14 0.00 -1.49 3.52 0.00 -1.26 -4.73 118.16 111.05 1iw4 n LYS 16 Ca -0.26 -0.16 -0.19 0.00 -0.00 0.00 0.00 58.31 57.69 1iw4 n LYS 16 Cb 1.06 -1.36 -0.19 0.00 -0.00 0.00 0.00 35.03 34.55 1iw4 n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iw4 n MET 17 N 3.26 0.12 -2.68 -1.58 0.00 -1.26 -4.42 117.12 110.56 1iw4 n MET 17 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 57.70 57.45 1iw4 n MET 17 Cb 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 33.22 31.67 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1iw4 n LEU 18 N 8.42 -1.48 0.00 3.17 -0.00 -1.26 -4.97 117.00 120.88 1iw4 n LEU 18 Ca 0.61 -2.46 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 1iw4 n LEU 18 Cb 0.22 0.63 0.00 0.00 -0.00 0.00 0.00 43.42 44.27 1iw4 n LEU 18 CO 0.95 1.51 0.00 0.61 -0.00 0.00 0.00 177.39 180.46 1iw4 n GLY 19 N -0.32 5.26 3.40 1.47 0.00 -1.26 -5.14 105.19 108.60 1iw4 n GLY 19 Ca -0.14 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.07 -3.95 1.61 8.00 -1.26 -5.01 116.55 113.87 1iw4 n ASP 20 Ca 0.00 -1.15 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 1iw4 n ASP 20 Cb 0.00 -0.98 -0.15 0.00 -0.02 0.00 0.00 41.12 39.97 1iw4 n ASP 20 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1iw4 s LEU 21 N 0.00 3.65 0.32 0.64 0.05 -1.26 -4.37 118.68 117.70 1iw4 s LEU 21 Ca 0.69 -1.77 -0.08 0.00 0.05 0.00 0.00 54.13 53.02 1iw4 s LEU 21 Cb -0.07 -1.37 -0.06 0.00 -2.05 0.00 0.00 46.19 42.65 1iw4 s LEU 21 CO 0.53 -0.34 0.63 -0.51 -0.55 0.00 0.00 176.35 176.11 1iw4 s ILE 22 N 1.18 4.92 -0.69 1.48 -1.16 -0.67 -1.12 121.20 125.14 1iw4 s ILE 22 Ca 0.05 0.32 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 1iw4 s ILE 22 Cb -0.19 -3.71 0.17 0.00 0.61 0.00 0.00 42.46 39.34 1iw4 s ILE 22 CO -0.11 -0.35 0.51 0.00 -2.81 0.00 0.00 174.94 172.18 1iw4 s ALA 24 N -0.61 3.27 -0.03 0.00 0.00 -0.08 -2.33 121.76 121.98 1iw4 s ALA 24 Ca 0.21 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1iw4 s ALA 24 Cb -0.16 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1iw4 s ALA 24 CO -0.07 0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1iw4 s VAL 25 N -0.36 1.03 -0.41 0.00 1.01 -0.19 -0.28 120.40 121.21 1iw4 s VAL 25 Ca 0.45 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1iw4 s VAL 25 Cb -0.24 -0.90 0.15 0.00 0.00 0.00 0.00 36.38 35.39 1iw4 s VAL 25 CO 0.31 0.31 0.26 0.27 0.00 0.00 0.00 175.10 176.24 1iw4 s ILE 26 N 0.05 0.69 0.00 2.22 -0.00 -0.96 -2.70 121.20 120.50 1iw4 s ILE 26 Ca -0.02 -2.28 0.00 0.00 -0.00 0.00 0.00 60.65 58.36 1iw4 s ILE 26 Cb -0.09 -1.49 0.00 0.00 -0.00 0.00 0.00 42.46 40.89 1iw4 s ILE 26 CO 0.01 -1.01 0.00 0.61 -0.00 0.00 0.00 174.94 174.54 1iw4 n GLY 27 N 3.55 0.79 0.76 6.27 0.00 -1.26 -2.13 105.19 113.17 1iw4 n GLY 27 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 1.96 -0.18 -3.66 1.61 2.03 -1.26 -5.01 116.55 112.04 1iw4 n ASP 28 Ca 0.00 -1.57 -0.27 0.00 0.52 0.00 0.00 54.79 53.46 1iw4 n ASP 28 Cb 0.00 0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 n ALA 29 N 0.06 3.33 -2.99 -1.67 0.00 -0.90 -5.05 120.51 113.28 1iw4 n ALA 29 Ca -0.08 -4.17 -0.44 0.00 0.00 0.00 0.00 53.44 48.76 1iw4 n ALA 29 Cb 0.67 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 1iw4 n ALA 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iw4 s LYS 30 N -1.26 3.08 0.31 0.00 2.20 -1.26 -2.25 119.74 120.56 1iw4 s LYS 30 Ca 0.30 -1.12 0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1iw4 s LYS 30 Cb 0.02 -4.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.06 1iw4 s LYS 30 CO -0.15 -1.53 0.05 -1.21 -0.36 0.00 0.00 175.35 172.14 1iw4 s GLU 31 N 2.96 1.61 0.28 4.03 2.02 0.62 -4.97 118.70 125.25 1iw4 s GLU 31 Ca 0.15 -1.88 -0.03 0.00 0.02 0.00 0.00 54.97 53.22 1iw4 s GLU 31 Cb -0.22 -0.85 -0.05 0.00 0.10 0.00 0.00 34.13 33.11 1iw4 s GLU 31 CO 0.08 -0.17 0.51 -2.00 0.02 0.00 0.00 175.26 173.71 1iw4 s GLU 32 N -3.88 3.59 -0.16 1.61 -6.30 -1.26 -0.91 118.70 111.38 1iw4 s GLU 32 Ca 0.35 -0.12 -0.07 0.00 -2.50 0.00 0.00 54.97 52.64 1iw4 s GLU 32 Cb 0.08 -2.69 0.07 0.00 0.00 0.00 0.00 34.13 31.59 1iw4 s GLU 32 CO 0.15 0.25 0.37 -1.01 0.02 0.00 0.00 175.26 175.03 1iw4 s HIS 33 N -2.06 -0.61 -0.13 5.30 3.76 -0.40 -4.89 115.29 116.26 1iw4 s HIS 33 Ca 0.42 1.26 -0.20 0.00 -0.15 0.00 0.00 55.06 56.39 1iw4 s HIS 33 Cb -0.11 0.20 -0.18 0.00 1.11 0.00 0.00 32.58 33.61 1iw4 s HIS 33 CO 0.30 -0.38 0.53 0.00 -0.85 0.00 0.00 174.74 174.34 1iw4 h ARG 34 N 7.69 -0.00 -3.57 1.40 2.47 -1.87 -1.78 114.38 118.71 1iw4 h ARG 34 Ca -0.26 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.77 1iw4 h ARG 34 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1iw4 h ARG 34 CO 0.22 0.67 3.43 -1.71 0.56 0.00 0.00 179.97 183.14 1iw4 n ASN 35 N -4.67 5.96 0.01 7.04 2.85 -1.26 -4.40 115.26 120.79 1iw4 n ASN 35 Ca -0.07 -2.72 0.22 0.00 -0.11 0.00 0.00 54.58 51.90 1iw4 n ASN 35 Cb 0.32 -1.60 0.60 0.00 1.24 0.00 0.00 39.78 40.34 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1iw4 h MET 36 N 5.60 0.00 0.25 1.20 1.85 -1.88 -1.68 114.93 120.27 1iw4 h MET 36 Ca 0.70 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.78 1iw4 h MET 36 Cb 0.48 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.51 1iw4 h MET 36 CO 1.84 0.00 -0.12 0.00 -0.40 0.00 0.00 176.91 178.23 1iw4 h ALA 38 N -1.81 3.11 0.02 0.00 0.00 -1.54 0.46 119.26 119.49 1iw4 h ALA 38 Ca -0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1iw4 h ALA 38 Cb 0.26 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1iw4 h ALA 38 CO 0.05 -1.47 -0.71 1.25 0.00 0.00 0.00 179.25 178.38 1iw4 h LEU 39 N 0.00 0.59 -1.73 0.00 5.85 -1.31 0.44 115.31 119.15 1iw4 h LEU 39 Ca 0.56 -0.78 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1iw4 h LEU 39 Cb 2.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.12 1iw4 h LEU 39 CO -0.01 1.30 -0.07 0.00 -0.34 0.00 0.00 178.44 179.32 1iw4 n GLU 42 N -3.38 2.54 -1.88 0.00 2.13 0.15 -4.99 120.64 115.22 1iw4 n GLU 42 Ca -0.30 -3.70 -0.30 0.00 0.66 0.00 0.00 57.16 53.52 1iw4 n GLU 42 Cb 1.05 -1.94 0.06 0.00 0.27 0.00 0.00 31.44 30.88 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 -3.41 3.22 -0.89 4.31 -3.43 0.24 -4.82 115.29 110.51 1iw4 s HIS 43 Ca 0.44 0.98 -0.25 0.00 -0.80 0.00 0.00 55.06 55.44 1iw4 s HIS 43 Cb 0.39 -3.17 -0.05 0.00 -1.43 0.00 0.00 32.58 28.32 1iw4 s HIS 43 CO -0.02 -1.34 1.96 -2.14 -2.00 0.00 0.00 174.74 171.21 1iw4 s PRO 44 N -5.40 2.52 -1.48 -0.38 0.02 -1.26 -3.93 135.00 125.10 1iw4 s PRO 44 Ca 0.59 -0.24 -0.06 0.00 0.02 0.00 0.00 61.00 61.32 1iw4 s PRO 44 Cb -0.11 -5.03 0.04 0.00 0.02 0.00 0.00 34.50 29.42 1iw4 s PRO 44 CO 0.51 -3.40 0.59 0.41 -0.33 0.00 0.00 177.00 174.78 1iw4 n GLY 45 N 6.82 -0.31 3.18 0.52 0.00 -1.26 -2.64 105.19 111.51 1iw4 n GLY 45 Ca 0.40 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.79 -1.17 0.00 -0.02 0.00 -1.25 -5.02 105.19 95.93 1iw4 n GLY 46 Ca -0.19 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.83 0.00 -3.60 1.61 -1.74 -1.08 -4.90 117.46 104.92 1iw4 n PHE 47 Ca -0.05 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.58 1iw4 n PHE 47 Cb 0.59 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.42 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1iw4 s GLU 48 N 0.00 0.08 0.25 3.97 -1.05 -1.10 -4.23 118.70 116.62 1iw4 s GLU 48 Ca 0.00 -0.12 0.09 0.00 -0.15 0.00 0.00 54.97 54.79 1iw4 s GLU 48 Cb 0.00 -1.75 -0.04 0.00 -0.44 0.00 0.00 34.13 31.90 1iw4 s GLU 48 CO 0.00 -0.70 0.03 1.52 0.95 0.00 0.00 175.26 177.06 1iw4 s TYR 49 N 2.14 2.78 -0.34 4.83 -0.85 -1.25 -1.02 117.35 123.64 1iw4 s TYR 49 Ca 0.03 -0.19 -0.01 0.00 -0.52 0.00 0.00 57.07 56.37 1iw4 s TYR 49 Cb -0.16 -1.25 0.11 0.00 0.38 0.00 0.00 41.96 41.05 1iw4 s TYR 49 CO -0.12 0.59 0.15 -1.54 -1.52 0.00 0.00 175.55 173.12 1iw4 s SER 50 N -3.63 3.60 0.16 -0.18 1.04 -0.98 -3.15 113.70 110.55 1iw4 s SER 50 Ca 0.31 -1.83 -0.34 0.00 0.48 0.00 0.00 55.95 54.57 1iw4 s SER 50 Cb -0.07 -0.65 -0.15 0.00 0.10 0.00 0.00 66.02 65.25 1iw4 s SER 50 CO 0.21 -0.37 1.45 0.59 0.98 0.00 0.00 173.24 176.10 1iw4 n ASN 51 N 4.56 2.52 0.00 7.02 4.13 -1.26 -2.38 115.26 129.85 1iw4 n ASN 51 Ca 0.02 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.38 1iw4 n ASN 51 Cb 0.40 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 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 2.86 3.79 3.55 7.41 0.00 -0.28 -4.91 105.19 117.61 1iw4 n GLY 52 Ca 0.16 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.68 2.32 0.00 1.61 0.04 -1.25 -4.40 135.00 130.63 1iw4 s PRO 53 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1iw4 s PRO 53 Cb 0.00 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1iw4 s PRO 53 CO 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 177.00 173.83