#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6g s ASP 2 N 0.00 1.96 0.00 -5.58 1.01 -1.26 0.93 116.67 113.72 1i6g s ASP 2 Ca 0.00 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 51.88 1i6g s ASP 2 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 42.92 43.93 1i6g s ASP 2 CO 0.00 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1i6g n GLY 3 N -0.61 -0.58 3.21 0.21 0.00 -0.87 -4.94 105.19 101.61 1i6g n GLY 3 Ca -0.01 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1i6g n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6g s TYR 4 N -3.00 2.76 0.28 1.61 1.51 -1.25 -1.74 117.35 117.53 1i6g s TYR 4 Ca 0.00 -1.26 -0.29 0.00 -1.01 0.00 0.00 57.07 54.51 1i6g s TYR 4 Cb 0.00 -1.89 -0.10 0.00 -0.11 0.00 0.00 41.96 39.86 1i6g s TYR 4 CO 0.00 -0.60 1.19 -1.25 -1.11 0.00 0.00 175.55 173.78 1i6g s PRO 5 N 0.98 4.52 0.57 -1.71 0.04 -1.25 0.14 135.00 138.29 1i6g s PRO 5 Ca -0.02 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.06 1i6g s PRO 5 Cb -0.15 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.33 1i6g s PRO 5 CO -0.04 0.03 0.78 1.33 0.04 0.00 0.00 177.00 179.13 1i6g n VAL 6 N 1.33 0.00 -3.25 -0.36 0.24 -1.02 -2.15 118.33 113.13 1i6g n VAL 6 Ca 0.00 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.38 1i6g n VAL 6 Cb 0.44 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1i6g n VAL 6 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i6g n ASP 7 N -2.31 0.84 0.11 -1.34 5.68 -0.66 -4.77 116.55 114.10 1i6g n ASP 7 Ca 0.15 -0.82 0.07 0.00 -0.50 0.00 0.00 54.79 53.69 1i6g n ASP 7 Cb 0.59 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.95 1i6g n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1i6g n SER 8 N -1.77 0.36 -0.00 -1.12 3.41 -1.26 -1.23 113.62 112.00 1i6g n SER 8 Ca 0.00 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1i6g n SER 8 Cb 0.00 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.15 1i6g n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i6g n LYS 9 N -1.98 1.06 0.00 4.33 4.81 -1.26 -4.98 118.16 120.14 1i6g n LYS 9 Ca -0.01 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1i6g n LYS 9 Cb 0.05 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1i6g n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i6g n GLY 10 N 1.53 0.59 3.77 3.14 0.00 -0.36 -5.07 105.19 108.80 1i6g n GLY 10 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g n LYS 12 N 0.96 2.31 -2.58 0.00 5.02 -1.26 -1.66 118.16 120.95 1i6g n LYS 12 Ca -0.00 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.67 1i6g n LYS 12 Cb 0.49 -2.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.01 1i6g n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i6g s LEU 13 N -0.85 3.62 0.36 -0.35 2.96 -0.91 -4.85 118.68 118.67 1i6g s LEU 13 Ca 0.59 0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 54.71 1i6g s LEU 13 Cb -0.56 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.47 1i6g s LEU 13 CO 0.57 -1.28 1.52 -1.20 -1.32 0.00 0.00 176.35 174.65 1i6g n SER 14 N 7.95 3.84 -4.69 3.68 7.64 -1.26 0.50 113.62 131.28 1i6g n SER 14 Ca 0.12 1.21 -0.35 0.00 1.01 0.00 0.00 58.87 60.86 1i6g n SER 14 Cb 0.49 -1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 61.98 1i6g n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6g n VAL 16 N 2.59 0.00 -3.70 0.00 3.14 -1.26 -4.63 118.33 114.46 1i6g n VAL 16 Ca -0.18 -0.21 -0.11 0.00 -2.96 0.00 0.00 64.34 60.88 1i6g n VAL 16 Cb 0.53 0.53 -0.11 0.00 -1.06 0.00 0.00 33.84 33.74 1i6g n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i6g s ALA 17 N -2.22 -1.01 0.54 1.55 0.00 -1.26 -5.01 121.76 114.34 1i6g s ALA 17 Ca -0.01 1.44 0.26 0.00 0.00 0.00 0.00 51.96 53.65 1i6g s ALA 17 Cb 0.04 -0.87 1.42 0.00 0.00 0.00 0.00 23.12 23.72 1i6g s ALA 17 CO 0.27 -0.25 1.98 -0.91 0.00 0.00 0.00 175.76 176.85 1i6g h ASN 18 N 6.87 0.00 -0.32 0.00 2.35 -1.94 -0.40 115.58 122.14 1i6g h ASN 18 Ca -0.35 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.25 1i6g h ASN 18 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 1i6g h ASN 18 CO 0.29 0.00 -0.38 -0.55 -1.65 0.00 0.00 177.43 175.15 1i6g h ASN 19 N 0.00 0.88 0.12 5.81 7.08 -1.95 -1.69 115.58 125.84 1i6g h ASN 19 Ca 0.27 -0.49 -0.00 0.00 -3.08 0.00 0.00 56.30 53.00 1i6g h ASN 19 Cb 1.10 -0.25 -0.00 0.00 -2.08 0.00 0.00 38.32 37.08 1i6g h ASN 19 CO -0.00 1.19 -0.09 0.22 -2.08 0.00 0.00 177.43 176.67 1i6g h TYR 20 N 0.59 -0.22 -0.30 4.14 3.20 -1.48 -1.94 116.97 120.96 1i6g h TYR 20 Ca 0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1i6g h TYR 20 Cb 0.96 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1i6g h TYR 20 CO 0.07 -0.13 0.09 0.00 -1.64 0.00 0.00 178.16 176.55 1i6g h ASP 22 N 0.42 -1.16 -0.67 0.00 3.58 -0.55 1.22 116.42 119.26 1i6g h ASP 22 Ca 0.10 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1i6g h ASP 22 Cb 0.13 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1i6g h ASP 22 CO -0.01 -0.70 0.33 -1.13 -2.88 0.00 0.00 179.24 174.85 1i6g h ASN 23 N -1.12 0.88 0.48 2.28 -1.24 -1.27 -1.59 115.58 114.00 1i6g h ASN 23 Ca -0.09 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1i6g h ASN 23 Cb 0.90 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1i6g h ASN 23 CO 0.09 0.75 -0.23 -0.61 -1.29 0.00 0.00 177.43 176.14 1i6g h GLN 24 N 0.97 -0.61 -0.79 6.67 5.75 -0.86 -1.79 115.11 124.44 1i6g h GLN 24 Ca 0.24 0.04 0.18 0.00 -0.15 0.00 0.00 58.65 58.96 1i6g h GLN 24 Cb 0.10 0.14 -0.14 0.00 1.07 0.00 0.00 27.48 28.65 1i6g h GLN 24 CO -0.03 -0.41 -0.02 0.00 -2.65 0.00 0.00 178.83 175.72 1i6g h LYS 26 N 0.08 0.94 -0.13 0.00 3.64 -1.29 0.13 116.57 119.94 1i6g h LYS 26 Ca 0.43 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1i6g h LYS 26 Cb 0.77 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1i6g h LYS 26 CO -0.72 0.62 -0.03 0.52 -2.27 0.00 0.00 179.45 177.57 1i6g h MET 27 N 0.97 0.18 -0.57 1.90 2.86 0.11 -0.04 114.93 120.34 1i6g h MET 27 Ca 0.36 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1i6g h MET 27 Cb 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1i6g h MET 27 CO -0.16 0.23 0.00 1.63 1.06 0.00 0.00 176.91 179.67 1i6g n LYS 28 N -4.40 2.08 -2.62 1.72 4.76 -0.11 -4.88 118.16 114.71 1i6g n LYS 28 Ca -0.01 -1.11 -0.09 0.00 -2.87 0.00 0.00 58.31 54.24 1i6g n LYS 28 Cb 0.17 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1i6g n LYS 29 N 0.28 -2.57 -4.45 1.97 4.81 -0.03 -4.45 118.16 113.73 1i6g n LYS 29 Ca 0.10 0.45 -0.24 0.00 -0.87 0.00 0.00 58.31 57.75 1i6g n LYS 29 Cb 0.43 -4.08 -0.10 0.00 0.02 0.00 0.00 35.03 31.30 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6g s ALA 30 N -3.20 2.86 -0.07 3.14 0.00 -0.39 -3.13 121.76 120.98 1i6g s ALA 30 Ca 0.10 -1.89 0.09 0.00 0.00 0.00 0.00 51.96 50.25 1i6g s ALA 30 Cb -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 23.12 22.69 1i6g s ALA 30 CO 0.39 0.23 0.08 0.43 0.00 0.00 0.00 175.76 176.89 1i6g n SER 31 N -0.70 2.77 -3.72 0.00 7.64 0.52 -4.36 113.62 115.78 1i6g n SER 31 Ca -0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 1i6g n SER 31 Cb 0.61 0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 64.62 1i6g n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i6g n GLY 32 N 2.31 3.89 3.65 0.23 0.00 0.11 -4.87 105.19 110.49 1i6g n GLY 32 Ca -0.11 -2.42 -0.40 0.00 0.00 0.00 0.00 46.02 43.09 1i6g n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i6g s GLY 33 N -1.45 1.98 0.05 -0.02 0.00 -1.26 -0.32 107.32 106.29 1i6g s GLY 33 Ca 0.29 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 44.32 1i6g s GLY 33 CO -0.14 1.21 0.61 -2.38 0.00 0.00 0.00 173.10 172.40 1i6g s HIS 34 N 1.97 -0.56 0.19 1.90 -3.43 -0.44 -3.94 115.29 110.98 1i6g s HIS 34 Ca 0.25 0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 54.88 1i6g s HIS 34 Cb -0.16 0.44 -0.08 0.00 -1.43 0.00 0.00 32.58 31.36 1i6g s HIS 34 CO 0.09 -0.70 0.96 0.00 -2.00 0.00 0.00 174.74 173.09 1i6g s TYR 36 N -0.67 -0.52 -1.54 0.00 5.04 -0.33 -4.90 117.35 114.43 1i6g s TYR 36 Ca 0.44 1.28 -0.14 0.00 -2.44 0.00 0.00 57.07 56.20 1i6g s TYR 36 Cb -0.25 0.18 0.09 0.00 0.35 0.00 0.00 41.96 42.33 1i6g s TYR 36 CO 0.31 -0.25 0.95 0.00 -1.34 0.00 0.00 175.55 175.22 1i6g n ALA 37 N 2.84 -1.26 -1.23 3.97 0.00 -1.26 0.56 120.51 124.13 1i6g n ALA 37 Ca -0.13 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1i6g n ALA 37 Cb 0.57 -4.38 -0.04 0.00 0.00 0.00 0.00 19.45 15.60 1i6g n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1i6g n MET 38 N -4.62 -1.76 -4.38 0.00 1.56 -1.26 -4.92 117.12 101.74 1i6g n MET 38 Ca 0.04 0.79 -0.20 0.00 -0.27 0.00 0.00 57.70 58.06 1i6g n MET 38 Cb 0.52 -5.19 -0.15 0.00 2.15 0.00 0.00 33.22 30.55 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1i6g s SER 39 N -2.27 1.15 0.24 6.12 0.01 0.19 -2.13 113.70 117.02 1i6g s SER 39 Ca 0.00 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 1i6g s SER 39 Cb 0.00 -0.25 -0.10 0.00 0.21 0.00 0.00 66.02 65.88 1i6g s SER 39 CO 0.00 0.08 1.43 0.00 0.41 0.00 0.00 173.24 175.16 1i6g s TYR 41 N 0.04 1.12 -0.08 0.00 5.04 -0.64 -3.97 117.35 118.86 1i6g s TYR 41 Ca 0.59 -0.44 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1i6g s TYR 41 Cb -0.41 -0.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.91 1i6g s TYR 41 CO 0.42 -0.34 -0.13 0.00 -1.34 0.00 0.00 175.55 174.16 1i6g s GLU 43 N -0.35 2.64 0.00 0.00 2.12 0.56 -2.05 118.70 121.61 1i6g s GLU 43 Ca 0.04 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 53.98 1i6g s GLU 43 Cb -0.12 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1i6g s GLU 43 CO 0.02 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 1i6g n GLY 44 N 4.92 -0.39 3.25 -1.50 0.00 0.12 0.20 105.19 111.79 1i6g n GLY 44 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1i6g n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6g n LEU 45 N 0.00 -2.24 -4.77 0.99 4.77 0.26 -4.20 117.00 111.80 1i6g n LEU 45 Ca 0.00 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 1i6g n LEU 45 Cb 0.00 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 1i6g n LEU 45 CO 0.00 -3.94 0.81 -2.16 -1.33 0.00 0.00 177.39 170.77 1i6g s PRO 46 N -3.08 4.19 0.60 3.23 0.04 -1.26 -1.32 135.00 137.40 1i6g s PRO 46 Ca 0.51 1.76 0.29 0.00 0.04 0.00 0.00 61.00 63.60 1i6g s PRO 46 Cb -0.15 -2.74 1.22 0.00 0.04 0.00 0.00 34.50 32.86 1i6g s PRO 46 CO 0.70 -0.18 1.58 1.49 0.04 0.00 0.00 177.00 180.64 1i6g h GLU 47 N 2.83 0.00 -0.49 4.56 4.81 -1.92 1.04 114.58 125.41 1i6g h GLU 47 Ca -0.48 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.46 1i6g h GLU 47 Cb 1.23 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.43 1i6g h GLU 47 CO 0.63 0.00 -0.03 0.27 -0.73 0.00 0.00 179.01 179.15 1i6g n ASN 48 N -3.49 3.17 -4.76 1.04 0.23 -1.26 -5.03 115.26 105.17 1i6g n ASN 48 Ca 0.18 -3.78 -0.32 0.00 -0.53 0.00 0.00 54.58 50.13 1i6g n ASN 48 Cb 1.17 -0.65 0.09 0.00 -2.08 0.00 0.00 39.78 38.31 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g s ALA 49 N -3.34 2.21 -1.19 -2.53 0.00 0.36 -4.93 121.76 112.34 1i6g s ALA 49 Ca 0.48 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1i6g s ALA 49 Cb 0.42 -3.31 0.23 0.00 0.00 0.00 0.00 23.12 20.46 1i6g s ALA 49 CO 0.01 -1.79 1.64 1.17 0.00 0.00 0.00 175.76 176.79 1i6g n LYS 50 N -3.35 3.94 -4.64 0.00 4.81 -1.26 -4.97 118.16 112.68 1i6g n LYS 50 Ca 0.10 -4.01 -0.29 0.00 -0.87 0.00 0.00 58.31 53.24 1i6g n LYS 50 Cb 0.53 -2.75 -0.10 0.00 0.02 0.00 0.00 35.03 32.73 1i6g n LYS 50 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1i6g s VAL 51 N -0.88 1.69 0.05 3.15 -7.23 -1.26 -2.43 120.40 113.49 1i6g s VAL 51 Ca 0.36 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.30 1i6g s VAL 51 Cb 0.06 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 1i6g s VAL 51 CO 0.04 0.00 0.68 -0.55 -0.31 0.00 0.00 175.10 174.96 1i6g s SER 52 N -3.73 7.15 -0.09 4.85 0.15 0.38 -4.85 113.70 117.55 1i6g s SER 52 Ca 0.27 1.36 0.03 0.00 0.70 0.00 0.00 55.95 58.32 1i6g s SER 52 Cb 0.08 -2.42 0.23 0.00 -1.71 0.00 0.00 66.02 62.19 1i6g s SER 52 CO 0.14 0.12 1.00 -0.90 1.20 0.00 0.00 173.24 174.80 1i6g n ASP 53 N 2.41 2.67 -3.70 5.45 5.75 -1.26 -3.80 116.55 124.07 1i6g n ASP 53 Ca -0.06 -2.34 -0.12 0.00 -0.01 0.00 0.00 54.79 52.27 1i6g n ASP 53 Cb 0.50 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1i6g s SER 54 N -0.04 -0.56 0.00 -1.12 1.04 -1.26 -5.00 113.70 106.76 1i6g s SER 54 Ca 0.16 1.01 0.15 0.00 0.48 0.00 0.00 55.95 57.75 1i6g s SER 54 Cb 0.13 0.96 0.75 0.00 0.10 0.00 0.00 66.02 67.96 1i6g s SER 54 CO 0.04 -0.19 1.39 0.00 0.98 0.00 0.00 173.24 175.46 1i6g n ALA 55 N 3.48 1.84 -3.55 5.32 0.00 -1.26 -4.38 120.51 121.96 1i6g n ALA 55 Ca -0.18 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1i6g n ALA 55 Cb 0.56 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 1i6g n ALA 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i6g s THR 56 N -2.52 -0.17 0.28 0.00 2.01 -1.26 -5.09 115.64 108.89 1i6g s THR 56 Ca 0.14 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1i6g s THR 56 Cb 0.10 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1i6g s THR 56 CO 0.22 -0.37 0.31 0.54 -0.69 0.00 0.00 174.62 174.63 1i6g s ASN 57 N 2.20 0.73 0.04 3.53 4.22 -1.26 -5.13 114.94 119.26 1i6g s ASN 57 Ca 0.05 -1.45 0.01 0.00 -2.14 0.00 0.00 52.86 49.33 1i6g s ASN 57 Cb -0.16 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 42.88 1i6g s ASN 57 CO -0.17 -1.06 -0.05 -0.63 -2.04 0.00 0.00 177.10 173.15 1i6g s ILE 58 N -3.66 0.31 -0.39 0.54 1.01 -1.26 -4.98 121.20 112.77 1i6g s ILE 58 Ca 0.35 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1i6g s ILE 58 Cb 0.03 -0.75 0.16 0.00 0.01 0.00 0.00 42.46 41.90 1i6g s ILE 58 CO 0.18 -0.61 0.31 0.00 0.00 0.00 0.00 174.94 174.82