#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 4.65 0.00 -5.58 1.01 -1.26 0.11 116.67 115.60 1i6g s ASP 2 Ca 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.77 1i6g s ASP 2 Cb 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 43.00 1i6g s ASP 2 CO 0.00 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1i6g n GLY 3 N -0.34 -0.74 3.26 0.21 0.00 -1.04 -4.97 105.19 101.57 1i6g n GLY 3 Ca -0.09 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 2.83 0.32 1.61 1.51 -1.24 -1.80 117.35 117.57 1i6g s TYR 4 Ca 0.00 -1.10 -0.29 0.00 -1.01 0.00 0.00 57.07 54.67 1i6g s TYR 4 Cb 0.00 -1.94 -0.10 0.00 -0.11 0.00 0.00 41.96 39.81 1i6g s TYR 4 CO 0.00 -0.54 1.18 -1.25 -1.11 0.00 0.00 175.55 173.83 1i6g s PRO 5 N 1.03 4.46 0.41 -1.71 0.04 -1.26 0.14 135.00 138.11 1i6g s PRO 5 Ca -0.01 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1i6g s PRO 5 Cb -0.15 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1i6g s PRO 5 CO -0.03 -0.00 0.36 0.14 0.04 0.00 0.00 177.00 177.51 1i6g s VAL 6 N -1.20 2.71 0.61 -0.36 -7.23 -1.00 -1.08 120.40 112.85 1i6g s VAL 6 Ca 0.48 -1.37 0.07 0.00 -1.81 0.00 0.00 61.98 59.35 1i6g s VAL 6 Cb -0.34 -3.01 0.11 0.00 0.56 0.00 0.00 36.38 33.69 1i6g s VAL 6 CO 0.45 -0.01 0.85 -0.90 -0.31 0.00 0.00 175.10 175.17 1i6g n ASP 7 N -1.51 1.89 0.32 4.85 5.68 -0.92 -4.82 116.55 122.03 1i6g n ASP 7 Ca 0.03 -2.42 0.15 0.00 -0.50 0.00 0.00 54.79 52.05 1i6g n ASP 7 Cb 0.62 -0.48 0.75 0.00 -1.14 0.00 0.00 41.12 40.87 1i6g n ASP 7 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1i6g h SER 8 N -0.09 0.00 0.35 -1.12 4.64 -2.01 0.12 113.55 115.44 1i6g h SER 8 Ca -0.28 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.71 1i6g h SER 8 Cb 1.23 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1i6g h SER 8 CO 0.37 0.00 -1.44 0.50 -0.87 0.00 0.00 176.83 175.39 1i6g h LYS 9 N 0.00 0.48 0.00 4.77 3.64 -2.01 -3.48 116.57 119.97 1i6g h LYS 9 Ca 0.01 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 1i6g h LYS 9 Cb 0.80 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1i6g h LYS 9 CO -0.00 1.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.98 1i6g n GLY 10 N 1.68 1.80 3.38 5.01 0.00 0.41 -5.12 105.19 112.34 1i6g n GLY 10 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 1.86 0.54 -2.57 0.00 5.02 -1.26 -2.16 118.16 119.58 1i6g n LYS 12 Ca -0.17 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1i6g n LYS 12 Cb 0.52 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 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 2.06 3.42 0.22 -0.35 2.96 -0.24 -4.76 118.68 121.99 1i6g s LEU 13 Ca 0.62 -1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.21 1i6g s LEU 13 Cb -0.71 -2.56 -0.16 0.00 0.50 0.00 0.00 46.19 43.26 1i6g s LEU 13 CO 0.58 -1.64 0.75 -1.20 -1.32 0.00 0.00 176.35 173.53 1i6g n SER 14 N 9.01 -0.17 -4.31 3.68 7.64 -1.26 -0.57 113.62 127.64 1i6g n SER 14 Ca 0.19 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.92 1i6g n SER 14 Cb 0.50 -1.08 -0.16 0.00 -1.01 0.00 0.00 64.21 62.46 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 2.35 0.00 -3.98 0.00 3.14 -1.26 -4.66 118.33 113.91 1i6g n VAL 16 Ca -0.16 -0.40 -0.10 0.00 -2.96 0.00 0.00 64.34 60.72 1i6g n VAL 16 Cb 0.51 1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 34.32 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 -1.27 -0.25 -0.16 1.55 0.00 -1.26 -5.09 121.76 115.28 1i6g s ALA 17 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1i6g s ALA 17 Cb 0.06 1.02 -0.12 0.00 0.00 0.00 0.00 23.12 24.08 1i6g s ALA 17 CO 0.21 -0.88 0.12 -0.91 0.00 0.00 0.00 175.76 174.31 1i6g h ASN 18 N 2.19 0.00 -0.94 0.00 2.35 -1.96 -3.34 115.58 113.88 1i6g h ASN 18 Ca -0.26 -0.33 0.24 0.00 -0.55 0.00 0.00 56.30 55.39 1i6g h ASN 18 Cb 1.25 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.49 1i6g h ASN 18 CO 0.35 1.05 0.47 -0.55 -1.65 0.00 0.00 177.43 177.10 1i6g h ASN 19 N -1.00 0.46 0.20 5.81 -1.07 -1.98 -1.12 115.58 116.87 1i6g h ASN 19 Ca -0.14 0.15 -0.00 0.00 0.07 0.00 0.00 56.30 56.38 1i6g h ASN 19 Cb 0.83 0.10 -0.02 0.00 -2.07 0.00 0.00 38.32 37.16 1i6g h ASN 19 CO -0.09 0.03 -0.32 0.22 0.07 0.00 0.00 177.43 177.34 1i6g h TYR 20 N 0.46 -0.92 -0.71 4.14 3.20 -1.96 -1.82 116.97 119.36 1i6g h TYR 20 Ca 0.60 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.60 1i6g h TYR 20 Cb 1.15 0.37 -0.08 0.00 1.54 0.00 0.00 36.73 39.72 1i6g h TYR 20 CO -0.09 -0.40 0.32 0.00 -1.64 0.00 0.00 178.16 176.36 1i6g h ASP 22 N 0.52 -1.09 0.34 0.00 1.82 -0.66 0.52 116.42 117.87 1i6g h ASP 22 Ca 0.37 0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 57.21 1i6g h ASP 22 Cb 0.46 0.55 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1i6g h ASP 22 CO -0.32 -0.30 -0.16 -1.13 -1.61 0.00 0.00 179.24 175.72 1i6g h ASN 23 N -0.16 -0.39 -0.28 2.28 -0.73 -0.51 -1.83 115.58 113.96 1i6g h ASN 23 Ca 0.23 -0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.29 1i6g h ASN 23 Cb 0.54 0.10 -0.07 0.00 0.27 0.00 0.00 38.32 39.16 1i6g h ASN 23 CO -0.65 -0.03 -0.53 -0.61 -0.37 0.00 0.00 177.43 175.24 1i6g h GLN 24 N -0.78 -0.46 -0.52 6.67 5.75 -0.51 0.05 115.11 125.32 1i6g h GLN 24 Ca -0.05 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1i6g h GLN 24 Cb 0.51 0.10 -0.10 0.00 1.07 0.00 0.00 27.48 29.06 1i6g h GLN 24 CO 0.08 -0.30 -0.19 0.00 -2.65 0.00 0.00 178.83 175.76 1i6g h LYS 26 N -0.07 0.15 -0.46 0.00 3.64 -0.16 0.64 116.57 120.31 1i6g h LYS 26 Ca 0.24 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1i6g h LYS 26 Cb 0.45 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1i6g h LYS 26 CO -0.57 0.10 0.31 0.52 -2.27 0.00 0.00 179.45 177.54 1i6g h MET 27 N 0.16 0.31 -0.57 1.90 2.86 0.77 0.35 114.93 120.71 1i6g h MET 27 Ca 0.38 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1i6g h MET 27 Cb 0.64 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1i6g h MET 27 CO -0.56 0.20 0.00 1.63 1.06 0.00 0.00 176.91 179.24 1i6g n LYS 28 N -4.47 2.20 -2.93 1.72 4.76 0.21 -4.88 118.16 114.78 1i6g n LYS 28 Ca 0.06 -1.25 -0.11 0.00 -2.87 0.00 0.00 58.31 54.15 1i6g n LYS 28 Cb 0.30 -1.54 0.06 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.35 -4.19 -3.96 1.97 0.00 0.12 -4.14 118.16 108.32 1i6g n LYS 29 Ca 0.11 0.56 -0.26 0.00 0.00 0.00 0.00 58.31 58.72 1i6g n LYS 29 Cb 0.46 -4.70 -0.02 0.00 0.00 0.00 0.00 35.03 30.77 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i6g s ALA 30 N -3.24 4.33 0.00 3.14 0.00 -0.66 -4.00 121.76 121.33 1i6g s ALA 30 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1i6g s ALA 30 Cb -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1i6g s ALA 30 CO 0.48 -0.38 0.00 0.43 0.00 0.00 0.00 175.76 176.29 1i6g n SER 31 N -1.68 2.72 -4.10 0.00 7.64 -0.30 -4.50 113.62 113.40 1i6g n SER 31 Ca -0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.49 1i6g n SER 31 Cb 0.64 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.78 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1i6g s GLY 32 N -3.66 2.95 -0.29 0.23 0.00 -0.22 -4.82 107.32 101.51 1i6g s GLY 32 Ca 0.00 -3.72 -0.11 0.00 0.00 0.00 0.00 44.72 40.89 1i6g s GLY 32 CO 0.00 1.17 0.20 -0.32 0.00 0.00 0.00 173.10 174.15 1i6g s GLY 33 N 0.02 1.93 0.20 0.20 0.00 -1.26 0.66 107.32 109.07 1i6g s GLY 33 Ca 0.25 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.64 1i6g s GLY 33 CO -0.11 0.67 0.53 -2.38 0.00 0.00 0.00 173.10 171.81 1i6g s HIS 34 N 1.75 -0.12 -0.12 1.90 -3.43 -0.07 -2.73 115.29 112.46 1i6g s HIS 34 Ca 0.07 -0.22 -0.18 0.00 -0.80 0.00 0.00 55.06 53.92 1i6g s HIS 34 Cb -0.16 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 1i6g s HIS 34 CO 0.11 -0.92 0.47 0.00 -2.00 0.00 0.00 174.74 172.40 1i6g s TYR 36 N 0.65 -0.12 -1.14 0.00 5.04 -0.83 -4.85 117.35 116.10 1i6g s TYR 36 Ca 0.26 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1i6g s TYR 36 Cb -0.15 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1i6g s TYR 36 CO 0.10 -0.30 0.00 0.00 -1.34 0.00 0.00 175.55 174.01 1i6g n ALA 37 N 1.70 -0.69 -0.87 3.97 0.00 -1.26 0.59 120.51 123.96 1i6g n ALA 37 Ca -0.20 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1i6g n ALA 37 Cb 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.68 -0.47 -5.13 0.00 1.56 -1.26 -4.97 117.12 104.17 1i6g n MET 38 Ca -0.15 0.12 -0.30 0.00 -0.27 0.00 0.00 57.70 57.10 1i6g n MET 38 Cb 0.59 -3.74 -0.16 0.00 2.15 0.00 0.00 33.22 32.06 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 -2.26 2.77 0.35 6.12 0.01 0.20 -2.42 113.70 118.47 1i6g s SER 39 Ca 0.00 -0.46 -0.28 0.00 1.31 0.00 0.00 55.95 56.52 1i6g s SER 39 Cb 0.00 -0.73 -0.10 0.00 0.21 0.00 0.00 66.02 65.40 1i6g s SER 39 CO 0.00 0.22 1.33 0.00 0.41 0.00 0.00 173.24 175.20 1i6g s TYR 41 N -1.16 0.10 0.11 0.00 6.14 -0.59 -4.12 117.35 117.82 1i6g s TYR 41 Ca 0.51 -0.20 0.08 0.00 0.64 0.00 0.00 57.07 58.10 1i6g s TYR 41 Cb -0.40 -0.08 -0.04 0.00 0.42 0.00 0.00 41.96 41.86 1i6g s TYR 41 CO 0.54 -0.15 -0.19 0.00 0.64 0.00 0.00 175.55 176.39 1i6g s GLU 43 N -2.10 1.64 0.00 0.00 2.12 0.21 -2.49 118.70 118.09 1i6g s GLU 43 Ca 0.07 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 53.48 1i6g s GLU 43 Cb -0.09 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1i6g s GLU 43 CO 0.04 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1i6g n GLY 44 N 4.25 1.45 3.66 -1.50 0.00 -1.20 -1.06 105.19 110.78 1i6g n GLY 44 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1i6g n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6g s LEU 45 N 0.00 1.92 0.42 0.99 1.43 0.30 -4.18 118.68 119.55 1i6g s LEU 45 Ca 0.00 1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 54.38 1i6g s LEU 45 Cb 0.00 -3.78 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 1i6g s LEU 45 CO 0.00 -3.08 1.04 -2.16 0.23 0.00 0.00 176.35 172.38 1i6g s PRO 46 N -4.82 4.10 0.08 1.29 0.04 -1.26 0.16 135.00 134.60 1i6g s PRO 46 Ca 0.65 1.45 0.08 0.00 0.04 0.00 0.00 61.00 63.22 1i6g s PRO 46 Cb -0.20 -2.43 0.38 0.00 0.04 0.00 0.00 34.50 32.29 1i6g s PRO 46 CO 0.59 -0.18 1.23 -1.91 0.04 0.00 0.00 177.00 176.77 1i6g n GLU 47 N -0.28 0.04 -0.37 4.56 2.13 -1.26 -1.08 120.64 124.38 1i6g n GLU 47 Ca 0.06 0.50 0.09 0.00 0.66 0.00 0.00 57.16 58.47 1i6g n GLU 47 Cb 0.50 -1.62 0.27 0.00 0.27 0.00 0.00 31.44 30.87 1i6g n GLU 47 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1i6g n ASN 48 N -1.70 3.80 -4.88 4.31 0.23 -1.26 -4.98 115.26 110.77 1i6g n ASN 48 Ca 0.00 -2.18 -0.30 0.00 -0.53 0.00 0.00 54.58 51.58 1i6g n ASN 48 Cb 0.04 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.30 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 -1.33 3.28 -0.45 -2.53 0.00 -0.25 -5.03 121.76 115.46 1i6g s ALA 49 Ca 0.40 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1i6g s ALA 49 Cb 0.23 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1i6g s ALA 49 CO 0.24 -0.30 0.35 0.21 0.00 0.00 0.00 175.76 176.26 1i6g s LYS 50 N -4.47 2.97 0.26 0.00 2.20 -1.26 -5.00 119.74 114.43 1i6g s LYS 50 Ca 0.52 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1i6g s LYS 50 Cb -0.10 -4.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 1i6g s LYS 50 CO 0.41 -0.91 0.12 0.14 -0.36 0.00 0.00 175.35 174.75 1i6g s VAL 51 N 1.65 0.37 0.56 4.02 -7.23 -1.26 -2.38 120.40 116.14 1i6g s VAL 51 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1i6g s VAL 51 Cb -0.22 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1i6g s VAL 51 CO 0.08 0.00 0.83 -0.55 -0.31 0.00 0.00 175.10 175.14 1i6g s SER 52 N -3.29 5.43 -0.06 4.85 0.15 0.38 -4.82 113.70 116.34 1i6g s SER 52 Ca 0.38 0.36 0.18 0.00 0.70 0.00 0.00 55.95 57.56 1i6g s SER 52 Cb 0.07 -1.33 0.35 0.00 -1.71 0.00 0.00 66.02 63.40 1i6g s SER 52 CO 0.14 -1.09 1.15 -0.90 1.20 0.00 0.00 173.24 173.75 1i6g n ASP 53 N -2.45 1.09 -3.78 5.45 5.68 -1.26 -3.63 116.55 117.65 1i6g n ASP 53 Ca 0.05 -2.51 -0.15 0.00 -0.50 0.00 0.00 54.79 51.69 1i6g n ASP 53 Cb 0.59 -0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 40.06 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1i6g s SER 54 N -2.18 0.06 0.00 -1.12 1.04 -1.26 -5.01 113.70 105.22 1i6g s SER 54 Ca 0.29 0.04 0.14 0.00 0.48 0.00 0.00 55.95 56.91 1i6g s SER 54 Cb 0.32 -0.06 0.45 0.00 0.10 0.00 0.00 66.02 66.83 1i6g s SER 54 CO -0.11 -0.11 1.35 0.00 0.98 0.00 0.00 173.24 175.36 1i6g n ALA 55 N 4.02 2.46 -2.88 5.32 0.00 -1.26 -4.27 120.51 123.90 1i6g n ALA 55 Ca -0.26 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 1i6g n ALA 55 Cb 0.52 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.99 1i6g n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1i6g n THR 56 N 0.59 0.38 -4.17 0.00 5.66 -1.26 -5.10 114.28 110.38 1i6g n THR 56 Ca 0.14 -3.45 -0.16 0.00 -3.05 0.00 0.00 64.05 57.54 1i6g n THR 56 Cb 0.34 0.38 -0.11 0.00 -1.55 0.00 0.00 70.33 69.38 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1i6g s ASN 57 N -2.57 1.49 -0.10 1.09 4.22 -1.26 -5.15 114.94 112.67 1i6g s ASN 57 Ca 0.32 -0.72 0.04 0.00 -2.14 0.00 0.00 52.86 50.35 1i6g s ASN 57 Cb 0.40 -0.01 -0.00 0.00 1.28 0.00 0.00 41.25 42.91 1i6g s ASN 57 CO -0.02 -0.19 -0.23 0.27 -2.04 0.00 0.00 177.10 174.89 1i6g s ILE 58 N -1.94 2.19 -0.29 0.54 -4.36 -1.26 -5.06 121.20 111.02 1i6g s ILE 58 Ca 0.02 -0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1i6g s ILE 58 Cb -0.06 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.82 1i6g s ILE 58 CO 0.01 0.56 0.06 0.00 0.24 0.00 0.00 174.94 175.81