#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 5.04 0.04 -5.58 1.01 -1.26 0.15 116.67 116.07 1i6g s ASP 2 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 52.55 53.16 1i6g s ASP 2 Cb 0.00 -1.31 0.03 0.00 1.01 0.00 0.00 42.92 42.65 1i6g s ASP 2 CO 0.00 0.31 0.47 0.61 0.21 0.00 0.00 175.17 176.76 1i6g n GLY 3 N 1.63 0.80 3.47 0.21 0.00 -1.02 -4.99 105.19 105.29 1i6g n GLY 3 Ca -0.16 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.73 3.12 0.32 1.61 1.51 -1.26 -2.05 117.35 116.87 1i6g s TYR 4 Ca 0.11 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 1i6g s TYR 4 Cb -0.01 -2.28 -0.10 0.00 -0.11 0.00 0.00 41.96 39.47 1i6g s TYR 4 CO 0.01 -0.35 1.23 -1.25 -1.11 0.00 0.00 175.55 174.08 1i6g s PRO 5 N 1.64 4.43 0.45 -1.71 0.04 -1.26 0.18 135.00 138.77 1i6g s PRO 5 Ca 0.06 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1i6g s PRO 5 Cb -0.16 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1i6g s PRO 5 CO 0.05 -0.06 0.09 0.14 0.04 0.00 0.00 177.00 177.26 1i6g s VAL 6 N -1.17 1.84 0.00 -0.36 -7.23 -0.95 0.26 120.40 112.79 1i6g s VAL 6 Ca 0.48 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1i6g s VAL 6 Cb -0.36 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1i6g s VAL 6 CO 0.48 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.37 1i6g n ASP 7 N -1.19 0.00 0.00 4.85 5.68 -0.83 -4.80 116.55 120.25 1i6g n ASP 7 Ca -0.07 -0.15 0.06 0.00 -0.50 0.00 0.00 54.79 54.12 1i6g n ASP 7 Cb 0.66 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.92 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 -0.46 0.00 -0.01 -1.12 3.41 -1.26 -2.01 113.62 112.17 1i6g n SER 8 Ca 0.00 0.18 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 1i6g n SER 8 Cb 0.00 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 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 -1.32 0.59 0.00 4.33 4.81 -1.26 -4.98 118.16 120.34 1i6g n LYS 9 Ca 0.05 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1i6g n LYS 9 Cb 0.10 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.73 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 1.48 1.01 3.81 3.14 0.00 -0.85 -5.02 105.19 108.76 1i6g n GLY 10 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 2.40 0.18 -2.66 0.00 4.76 -1.26 -1.96 118.16 119.61 1i6g n LYS 12 Ca -0.14 0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 1i6g n LYS 12 Cb 0.53 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.47 1i6g n LYS 12 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1i6g s LEU 13 N 3.56 3.81 -0.11 -0.35 2.96 0.14 -4.68 118.68 124.01 1i6g s LEU 13 Ca 0.61 -1.27 -0.39 0.00 -0.22 0.00 0.00 54.13 52.85 1i6g s LEU 13 Cb -0.51 -2.52 -0.17 0.00 0.50 0.00 0.00 46.19 43.49 1i6g s LEU 13 CO 0.62 -1.50 1.51 -1.20 -1.32 0.00 0.00 176.35 174.46 1i6g n SER 14 N 8.43 1.82 -4.36 3.68 7.64 -1.26 -1.84 113.62 127.73 1i6g n SER 14 Ca 0.20 1.11 -0.32 0.00 1.01 0.00 0.00 58.87 60.87 1i6g n SER 14 Cb 0.50 -1.13 -0.15 0.00 -1.01 0.00 0.00 64.21 62.41 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 2.76 0.00 -3.91 0.00 3.14 -1.26 -4.70 118.33 114.36 1i6g n VAL 16 Ca -0.17 -0.31 -0.09 0.00 -2.96 0.00 0.00 64.34 60.81 1i6g n VAL 16 Cb 0.52 1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 34.33 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 -1.78 -0.66 -0.07 1.55 0.00 -1.26 -5.07 121.76 114.47 1i6g s ALA 17 Ca 0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1i6g s ALA 17 Cb 0.09 0.96 -0.29 0.00 0.00 0.00 0.00 23.12 23.88 1i6g s ALA 17 CO 0.38 -0.90 0.68 -0.91 0.00 0.00 0.00 175.76 175.01 1i6g h ASN 18 N 2.17 0.48 -0.26 0.00 4.21 -1.93 -3.31 115.58 116.94 1i6g h ASN 18 Ca -0.24 -0.89 0.08 0.00 1.21 0.00 0.00 56.30 56.45 1i6g h ASN 18 Cb 1.25 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.28 1i6g h ASN 18 CO 0.32 1.62 0.23 -0.55 -1.29 0.00 0.00 177.43 177.77 1i6g h ASN 19 N -0.20 0.00 0.05 5.81 -1.07 -1.98 0.16 115.58 118.36 1i6g h ASN 19 Ca -0.28 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.09 1i6g h ASN 19 Cb 1.84 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.09 1i6g h ASN 19 CO 0.12 0.00 -0.02 0.22 0.07 0.00 0.00 177.43 177.81 1i6g h TYR 20 N 0.00 -0.06 -0.32 4.14 5.03 -1.94 -2.69 116.97 121.13 1i6g h TYR 20 Ca 0.13 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.27 1i6g h TYR 20 Cb 0.59 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 1i6g h TYR 20 CO 0.00 0.32 -0.46 0.00 -1.32 0.00 0.00 178.16 176.70 1i6g h ASP 22 N 0.68 -0.78 -0.27 0.00 3.58 0.02 1.14 116.42 120.80 1i6g h ASP 22 Ca 0.04 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 1i6g h ASP 22 Cb 1.04 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 1i6g h ASP 22 CO 0.10 -0.26 0.06 -1.13 -2.88 0.00 0.00 179.24 175.14 1i6g h ASN 23 N -0.16 0.41 0.93 2.28 -1.24 -1.46 -0.07 115.58 116.28 1i6g h ASN 23 Ca 0.19 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 1i6g h ASN 23 Cb 0.46 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.41 1i6g h ASN 23 CO -0.49 0.54 -0.47 -0.61 -1.29 0.00 0.00 177.43 175.11 1i6g h GLN 24 N 0.26 -1.24 -0.42 6.67 5.75 -0.73 -2.35 115.11 123.07 1i6g h GLN 24 Ca 0.08 0.08 0.09 0.00 -0.15 0.00 0.00 58.65 58.75 1i6g h GLN 24 Cb 0.29 0.28 -0.09 0.00 1.07 0.00 0.00 27.48 29.04 1i6g h GLN 24 CO 0.00 -0.83 -0.18 0.00 -2.65 0.00 0.00 178.83 175.17 1i6g h LYS 26 N -0.10 -0.18 -1.12 0.00 1.63 -0.84 1.03 116.57 116.98 1i6g h LYS 26 Ca 0.20 0.01 0.32 0.00 -0.85 0.00 0.00 60.65 60.34 1i6g h LYS 26 Cb 0.41 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 31.98 1i6g h LYS 26 CO -0.48 -0.12 0.72 0.52 -3.45 0.00 0.00 179.45 176.64 1i6g h MET 27 N -0.19 0.28 -1.85 1.90 2.86 -0.81 0.25 114.93 117.37 1i6g h MET 27 Ca 0.11 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.54 1i6g h MET 27 Cb 0.47 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 1i6g h MET 27 CO -0.70 0.19 0.11 1.63 1.06 0.00 0.00 176.91 179.19 1i6g n LYS 28 N -4.67 1.59 -2.99 1.72 4.76 0.35 -4.76 118.16 114.16 1i6g n LYS 28 Ca 0.29 -0.93 -0.11 0.00 -2.87 0.00 0.00 58.31 54.68 1i6g n LYS 28 Cb 1.06 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.73 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 1.24 -2.49 -2.88 1.97 4.81 0.87 -4.36 118.16 117.31 1i6g n LYS 29 Ca 0.22 0.10 -0.22 0.00 -0.87 0.00 0.00 58.31 57.54 1i6g n LYS 29 Cb 0.60 -4.63 0.02 0.00 0.02 0.00 0.00 35.03 31.04 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 -2.36 3.86 -0.03 3.14 0.00 -0.82 -4.20 121.76 121.35 1i6g s ALA 30 Ca 0.20 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1i6g s ALA 30 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1i6g s ALA 30 CO 0.25 -0.50 -0.02 -1.13 0.00 0.00 0.00 175.76 174.36 1i6g n SER 31 N -2.15 3.83 -4.07 0.00 3.41 0.50 -4.36 113.62 110.78 1i6g n SER 31 Ca 0.04 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 1i6g n SER 31 Cb 0.58 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i6g s GLY 32 N -4.20 2.76 -0.35 5.00 0.00 -0.98 -4.86 107.32 104.68 1i6g s GLY 32 Ca -0.03 -3.54 -0.12 0.00 0.00 0.00 0.00 44.72 41.02 1i6g s GLY 32 CO 0.06 1.13 0.22 -0.32 0.00 0.00 0.00 173.10 174.19 1i6g s GLY 33 N 0.11 1.93 0.19 0.20 0.00 -1.26 -1.38 107.32 107.11 1i6g s GLY 33 Ca 0.22 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1i6g s GLY 33 CO -0.08 0.79 0.24 -2.39 0.00 0.00 0.00 173.10 171.66 1i6g n HIS 34 N 5.05 -0.86 -3.86 1.90 1.44 -1.03 -1.88 115.22 115.98 1i6g n HIS 34 Ca -0.13 -1.35 -0.36 0.00 -2.01 0.00 0.00 57.72 53.88 1i6g n HIS 34 Cb 0.48 0.27 -0.13 0.00 0.12 0.00 0.00 29.99 30.73 1i6g n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1i6g s TYR 36 N 1.37 1.72 -1.41 0.00 5.04 -0.67 -4.70 117.35 118.69 1i6g s TYR 36 Ca -0.01 -0.33 -0.09 0.00 -2.44 0.00 0.00 57.07 54.20 1i6g s TYR 36 Cb -0.18 -1.09 0.05 0.00 0.35 0.00 0.00 41.96 41.10 1i6g s TYR 36 CO -0.01 -0.01 0.62 0.00 -1.34 0.00 0.00 175.55 174.81 1i6g n ALA 37 N 2.45 -1.08 -1.05 3.97 0.00 -1.26 0.38 120.51 123.92 1i6g n ALA 37 Ca -0.15 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1i6g n ALA 37 Cb 0.53 -3.43 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 1i6g n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6g n MET 38 N -4.00 -1.90 -5.11 0.00 2.81 -1.26 -4.94 117.12 102.73 1i6g n MET 38 Ca -0.03 0.55 -0.29 0.00 -1.81 0.00 0.00 57.70 56.12 1i6g n MET 38 Cb 0.56 -5.00 -0.16 0.00 -0.71 0.00 0.00 33.22 27.91 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6g s SER 39 N -2.07 2.70 0.48 7.83 0.01 0.16 -2.61 113.70 120.20 1i6g s SER 39 Ca 0.00 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 56.59 1i6g s SER 39 Cb 0.00 -0.58 -0.07 0.00 0.21 0.00 0.00 66.02 65.58 1i6g s SER 39 CO 0.00 0.24 1.25 0.00 0.41 0.00 0.00 173.24 175.13 1i6g s TYR 41 N -1.42 -0.33 -0.09 0.00 5.04 -0.88 -4.01 117.35 115.66 1i6g s TYR 41 Ca 0.65 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1i6g s TYR 41 Cb -0.34 -0.19 -0.03 0.00 0.35 0.00 0.00 41.96 41.75 1i6g s TYR 41 CO 0.41 -0.42 0.02 0.00 -1.34 0.00 0.00 175.55 174.22 1i6g s GLU 43 N -0.88 2.63 0.00 0.00 2.12 -0.48 -2.43 118.70 119.64 1i6g s GLU 43 Ca 0.13 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.21 1i6g s GLU 43 Cb -0.11 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1i6g s GLU 43 CO 0.02 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 1i6g n GLY 44 N 4.86 1.78 3.65 -1.50 0.00 -1.06 0.19 105.19 113.11 1i6g n GLY 44 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.93 0.63 0.99 1.43 0.40 -4.00 118.68 120.06 1i6g s LEU 45 Ca 0.00 1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 54.51 1i6g s LEU 45 Cb 0.00 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 1i6g s LEU 45 CO 0.00 -3.13 1.07 -2.16 0.23 0.00 0.00 176.35 172.36 1i6g s PRO 46 N -4.79 3.10 0.61 1.29 0.04 -1.26 0.28 135.00 134.28 1i6g s PRO 46 Ca 0.65 1.23 0.33 0.00 0.04 0.00 0.00 61.00 63.26 1i6g s PRO 46 Cb -0.20 -2.00 1.93 0.00 0.04 0.00 0.00 34.50 34.27 1i6g s PRO 46 CO 0.59 -0.99 2.24 1.49 0.04 0.00 0.00 177.00 180.37 1i6g h GLU 47 N 0.17 0.00 -0.32 4.56 4.57 -1.94 -1.70 114.58 119.92 1i6g h GLU 47 Ca -0.46 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.53 1i6g h GLU 47 Cb 1.23 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.70 1i6g h GLU 47 CO 0.56 0.00 -0.21 0.27 -1.18 0.00 0.00 179.01 178.45 1i6g n ASN 48 N -3.61 2.59 -4.74 1.04 0.23 -1.26 -5.04 115.26 104.46 1i6g n ASN 48 Ca -0.02 -3.82 -0.30 0.00 -0.53 0.00 0.00 54.58 49.90 1i6g n ASN 48 Cb 0.14 -0.60 0.11 0.00 -2.08 0.00 0.00 39.78 37.36 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 -3.30 1.92 -0.99 -2.53 0.00 -0.64 -4.94 121.76 111.29 1i6g s ALA 49 Ca 0.44 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 1i6g s ALA 49 Cb 0.40 -3.25 0.15 0.00 0.00 0.00 0.00 23.12 20.43 1i6g s ALA 49 CO -0.02 -2.05 1.16 0.21 0.00 0.00 0.00 175.76 175.06 1i6g s LYS 50 N -4.90 3.73 0.26 0.00 2.47 -1.26 -4.97 119.74 115.06 1i6g s LYS 50 Ca 0.62 -2.07 0.01 0.00 -1.56 0.00 0.00 55.97 52.98 1i6g s LYS 50 Cb -0.18 -4.89 -0.04 0.00 -1.46 0.00 0.00 37.83 31.26 1i6g s LYS 50 CO 0.57 -1.71 0.13 0.14 0.16 0.00 0.00 175.35 174.64 1i6g s VAL 51 N 2.05 0.32 -0.20 4.02 -7.23 -1.26 -2.23 120.40 115.87 1i6g s VAL 51 Ca 0.33 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1i6g s VAL 51 Cb -0.05 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1i6g s VAL 51 CO -0.07 0.00 0.59 -0.55 -0.31 0.00 0.00 175.10 174.76 1i6g s SER 52 N -3.29 6.63 0.00 4.85 0.15 0.13 -4.87 113.70 117.30 1i6g s SER 52 Ca 0.38 0.76 0.16 0.00 0.70 0.00 0.00 55.95 57.95 1i6g s SER 52 Cb 0.07 -2.33 0.90 0.00 -1.71 0.00 0.00 66.02 62.95 1i6g s SER 52 CO 0.15 -0.25 1.59 -0.90 1.20 0.00 0.00 173.24 175.02 1i6g n ASP 53 N 5.03 0.16 -4.24 5.45 5.68 -1.26 -4.13 116.55 123.24 1i6g n ASP 53 Ca -0.02 -1.54 -0.33 0.00 -0.50 0.00 0.00 54.79 52.40 1i6g n ASP 53 Cb 0.50 -0.01 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 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 -1.48 3.44 0.00 -1.12 1.04 -1.26 -4.98 113.70 109.34 1i6g s SER 54 Ca 0.24 -0.51 0.32 0.00 0.48 0.00 0.00 55.95 56.47 1i6g s SER 54 Cb 0.11 -1.51 1.82 0.00 0.10 0.00 0.00 66.02 66.54 1i6g s SER 54 CO 0.19 0.10 2.18 0.00 0.98 0.00 0.00 173.24 176.68 1i6g n ALA 55 N 3.97 2.67 -2.83 5.32 0.00 -1.26 -3.93 120.51 124.45 1i6g n ALA 55 Ca -0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1i6g n ALA 55 Cb 0.52 -1.49 0.03 0.00 0.00 0.00 0.00 19.45 18.51 1i6g n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i6g n THR 56 N -0.92 0.45 -3.78 0.00 -2.24 -1.26 -5.12 114.28 101.41 1i6g n THR 56 Ca 0.23 -3.19 -0.24 0.00 -2.27 0.00 0.00 64.05 58.59 1i6g n THR 56 Cb 0.14 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i6g s ASN 57 N -2.53 4.75 -0.02 3.42 4.22 -1.25 -5.14 114.94 118.40 1i6g s ASN 57 Ca 0.30 -1.04 0.01 0.00 -2.14 0.00 0.00 52.86 49.99 1i6g s ASN 57 Cb 0.41 -0.04 0.01 0.00 1.28 0.00 0.00 41.25 42.90 1i6g s ASN 57 CO -0.02 -0.88 -0.03 -0.63 -2.04 0.00 0.00 177.10 173.50 1i6g s ILE 58 N -2.64 0.30 0.00 0.54 1.09 -1.26 -5.06 121.20 114.16 1i6g s ILE 58 Ca 0.41 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1i6g s ILE 58 Cb -0.02 -0.31 0.00 0.00 -1.06 0.00 0.00 42.46 41.07 1i6g s ILE 58 CO 0.24 0.13 0.00 0.00 -0.10 0.00 0.00 174.94 175.21