#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 6.07 0.00 -5.58 1.01 -1.26 -0.42 116.67 116.49 1i6g s ASP 2 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1i6g s ASP 2 Cb 0.00 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 42.13 1i6g s ASP 2 CO 0.00 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1i6g n GLY 3 N 0.35 -0.83 3.53 0.21 0.00 -0.99 -4.99 105.19 102.48 1i6g n GLY 3 Ca -0.06 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 3.03 0.28 1.61 2.02 -1.26 -1.90 117.35 118.13 1i6g s TYR 4 Ca 0.00 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 1i6g s TYR 4 Cb 0.00 -1.90 -0.10 0.00 -0.40 0.00 0.00 41.96 39.56 1i6g s TYR 4 CO 0.00 0.08 1.18 -1.25 -1.57 0.00 0.00 175.55 173.99 1i6g s PRO 5 N 0.05 4.53 0.41 -1.71 0.04 -1.25 -1.31 135.00 135.76 1i6g s PRO 5 Ca 0.00 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1i6g s PRO 5 Cb -0.13 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1i6g s PRO 5 CO 0.03 0.04 0.01 0.14 0.04 0.00 0.00 177.00 177.26 1i6g s VAL 6 N -0.98 1.99 0.00 -0.36 -7.23 -0.97 -1.65 120.40 111.20 1i6g s VAL 6 Ca 0.47 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1i6g s VAL 6 Cb -0.35 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1i6g s VAL 6 CO 0.44 -0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.33 1i6g n ASP 7 N -0.96 0.00 0.32 4.85 5.68 -0.84 -4.79 116.55 120.80 1i6g n ASP 7 Ca -0.05 -0.78 0.20 0.00 -0.50 0.00 0.00 54.79 53.66 1i6g n ASP 7 Cb 0.67 0.00 1.08 0.00 -1.14 0.00 0.00 41.12 41.73 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 0.00 0.00 0.30 -1.12 4.64 -2.01 0.81 113.55 116.17 1i6g h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i6g h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i6g h SER 8 CO 0.00 0.00 -0.98 1.17 -0.87 0.00 0.00 176.83 176.15 1i6g n LYS 9 N -3.15 0.18 -0.34 4.77 3.00 -1.26 -4.94 118.16 116.41 1i6g n LYS 9 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1i6g n LYS 9 Cb 0.17 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1i6g n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i6g n GLY 10 N 1.42 0.80 3.77 3.14 0.00 0.28 -5.06 105.19 109.54 1i6g n GLY 10 Ca 0.03 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 1.95 1.57 -3.00 0.00 5.02 -1.26 -1.99 118.16 120.44 1i6g n LYS 12 Ca -0.05 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 1i6g n LYS 12 Cb 0.49 -2.46 -0.06 0.00 -0.02 0.00 0.00 35.03 32.98 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 -2.90 4.21 0.29 -0.35 2.96 -0.66 -4.86 118.68 117.38 1i6g s LEU 13 Ca 0.71 0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 54.47 1i6g s LEU 13 Cb -0.43 -2.94 -0.12 0.00 0.50 0.00 0.00 46.19 43.20 1i6g s LEU 13 CO 0.50 -0.75 1.55 -1.20 -1.32 0.00 0.00 176.35 175.13 1i6g n SER 14 N 6.39 3.64 -4.21 3.68 7.64 -1.26 -1.23 113.62 128.26 1i6g n SER 14 Ca 0.02 1.16 -0.27 0.00 1.01 0.00 0.00 58.87 60.78 1i6g n SER 14 Cb 0.48 -1.57 -0.16 0.00 -1.01 0.00 0.00 64.21 61.96 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 2.67 0.00 -3.70 0.00 3.14 -1.26 -4.53 118.33 114.65 1i6g n VAL 16 Ca -0.16 -0.23 -0.22 0.00 -2.96 0.00 0.00 64.34 60.78 1i6g n VAL 16 Cb 0.53 0.94 -0.18 0.00 -1.06 0.00 0.00 33.84 34.07 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 -0.54 0.42 0.28 1.55 0.00 -1.26 -5.02 121.76 117.19 1i6g s ALA 17 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1i6g s ALA 17 Cb 0.00 -0.71 0.67 0.00 0.00 0.00 0.00 23.12 23.08 1i6g s ALA 17 CO 0.00 -0.55 1.73 -0.91 0.00 0.00 0.00 175.76 176.03 1i6g h ASN 18 N 8.40 0.49 -0.23 0.00 2.35 -1.94 0.32 115.58 124.97 1i6g h ASN 18 Ca -0.15 0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1i6g h ASN 18 Cb 1.12 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1i6g h ASN 18 CO 0.20 0.13 0.23 -0.55 -1.65 0.00 0.00 177.43 175.79 1i6g h ASN 19 N 0.55 0.00 0.33 5.81 7.08 -1.95 0.22 115.58 127.62 1i6g h ASN 19 Ca 0.53 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.74 1i6g h ASN 19 Cb 0.90 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 1i6g h ASN 19 CO -0.44 0.00 -0.16 0.22 -2.08 0.00 0.00 177.43 174.97 1i6g h TYR 20 N 0.00 -0.41 0.00 4.14 3.20 -0.75 -2.76 116.97 120.39 1i6g h TYR 20 Ca 0.11 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1i6g h TYR 20 Cb 0.57 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1i6g h TYR 20 CO 0.00 -0.26 -0.17 0.00 -1.64 0.00 0.00 178.16 176.09 1i6g h ASP 22 N 0.00 -0.61 -0.96 0.00 1.82 -0.24 0.16 116.42 116.58 1i6g h ASP 22 Ca -0.00 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.72 1i6g h ASP 22 Cb 0.31 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.42 1i6g h ASP 22 CO 0.02 -0.42 0.63 -1.13 -1.61 0.00 0.00 179.24 176.73 1i6g h ASN 23 N -0.76 1.00 0.53 2.28 -0.73 -1.47 -2.29 115.58 114.15 1i6g h ASN 23 Ca -0.07 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 1i6g h ASN 23 Cb 0.55 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.93 1i6g h ASN 23 CO 0.12 0.66 -0.26 -0.61 -0.37 0.00 0.00 177.43 176.97 1i6g h GLN 24 N 1.14 -0.69 -0.82 6.67 5.75 -1.34 -2.70 115.11 123.12 1i6g h GLN 24 Ca 0.40 0.05 0.14 0.00 -0.15 0.00 0.00 58.65 59.10 1i6g h GLN 24 Cb 0.13 0.16 -0.15 0.00 1.07 0.00 0.00 27.48 28.69 1i6g h GLN 24 CO -0.15 -0.46 -0.32 0.00 -2.65 0.00 0.00 178.83 175.25 1i6g h LYS 26 N -0.05 -0.05 -0.02 0.00 1.63 -1.39 2.05 116.57 118.74 1i6g h LYS 26 Ca 0.33 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1i6g h LYS 26 Cb 0.59 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1i6g h LYS 26 CO -0.86 -0.03 0.08 0.52 -3.45 0.00 0.00 179.45 175.71 1i6g h MET 27 N -0.05 0.00 -1.10 1.90 2.86 0.16 -0.47 114.93 118.24 1i6g h MET 27 Ca 0.31 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.50 1i6g h MET 27 Cb 0.53 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.95 1i6g h MET 27 CO -0.71 0.00 0.57 1.63 1.06 0.00 0.00 176.91 179.46 1i6g n LYS 28 N -3.23 2.09 -1.28 1.72 5.02 0.69 -4.83 118.16 118.33 1i6g n LYS 28 Ca -0.02 -2.39 -0.10 0.00 -2.02 0.00 0.00 58.31 53.78 1i6g n LYS 28 Cb 0.15 -1.94 -0.04 0.00 -0.02 0.00 0.00 35.03 33.18 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i6g n LYS 29 N -0.59 -1.71 -3.69 1.97 3.00 -0.19 -4.30 118.16 112.65 1i6g n LYS 29 Ca 0.47 0.84 -0.25 0.00 -0.00 0.00 0.00 58.31 59.37 1i6g n LYS 29 Cb 1.08 -5.27 -0.02 0.00 0.00 0.00 0.00 35.03 30.82 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 -1.85 3.82 -0.01 3.14 0.00 -0.75 -4.19 121.76 121.92 1i6g s ALA 30 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1i6g s ALA 30 Cb 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.11 1i6g s ALA 30 CO 0.00 0.25 0.07 0.45 0.00 0.00 0.00 175.76 176.53 1i6g n SER 31 N -1.19 4.08 -3.98 0.00 2.88 0.34 -3.51 113.62 112.24 1i6g n SER 31 Ca -0.06 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 1i6g n SER 31 Cb 0.55 1.07 -0.11 0.00 -0.75 0.00 0.00 64.21 64.98 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1i6g s GLY 32 N -2.66 2.87 -0.20 0.46 0.00 -0.87 -4.86 107.32 102.05 1i6g s GLY 32 Ca -0.02 -3.71 -0.03 0.00 0.00 0.00 0.00 44.72 40.97 1i6g s GLY 32 CO 0.16 1.10 -0.06 -0.32 0.00 0.00 0.00 173.10 173.98 1i6g s GLY 33 N -0.73 1.60 0.22 0.20 0.00 -1.26 0.44 107.32 107.79 1i6g s GLY 33 Ca 0.24 -1.09 -0.21 0.00 0.00 0.00 0.00 44.72 43.65 1i6g s GLY 33 CO -0.12 0.28 0.63 -2.38 0.00 0.00 0.00 173.10 171.51 1i6g s HIS 34 N 1.19 -0.28 -0.55 1.90 -3.43 -0.76 -2.49 115.29 110.88 1i6g s HIS 34 Ca 0.02 -0.07 -0.25 0.00 -0.80 0.00 0.00 55.06 53.97 1i6g s HIS 34 Cb -0.14 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.62 1i6g s HIS 34 CO -0.02 -1.03 0.96 0.00 -2.00 0.00 0.00 174.74 172.66 1i6g s TYR 36 N 4.03 2.40 -1.68 0.00 5.04 -0.89 -4.61 117.35 121.65 1i6g s TYR 36 Ca 0.32 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1i6g s TYR 36 Cb -0.12 -1.54 0.00 0.00 0.35 0.00 0.00 41.96 40.65 1i6g s TYR 36 CO 0.20 -0.07 0.00 0.00 -1.34 0.00 0.00 175.55 174.34 1i6g n ALA 37 N 2.59 -0.51 -1.09 3.97 0.00 -1.26 -0.05 120.51 124.16 1i6g n ALA 37 Ca -0.17 0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1i6g n ALA 37 Cb 0.51 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.62 -0.96 -4.82 0.00 1.56 -1.26 -4.98 117.12 104.04 1i6g n MET 38 Ca -0.20 0.43 -0.26 0.00 -0.27 0.00 0.00 57.70 57.41 1i6g n MET 38 Cb 0.63 -4.26 -0.16 0.00 2.15 0.00 0.00 33.22 31.58 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 -2.25 2.10 0.34 6.12 0.01 0.92 -2.11 113.70 118.83 1i6g s SER 39 Ca 0.00 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1i6g s SER 39 Cb 0.00 -0.54 -0.11 0.00 0.21 0.00 0.00 66.02 65.58 1i6g s SER 39 CO 0.00 0.16 1.54 0.00 0.41 0.00 0.00 173.24 175.35 1i6g s TYR 41 N -0.62 0.08 0.14 0.00 5.04 -0.84 -3.86 117.35 117.30 1i6g s TYR 41 Ca 0.58 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 55.11 1i6g s TYR 41 Cb -0.48 -0.60 -0.04 0.00 0.35 0.00 0.00 41.96 41.20 1i6g s TYR 41 CO 0.57 -0.48 0.27 0.00 -1.34 0.00 0.00 175.55 174.57 1i6g s GLU 43 N -3.18 1.67 0.00 0.00 2.12 0.17 -2.34 118.70 117.14 1i6g s GLU 43 Ca 0.34 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1i6g s GLU 43 Cb -0.11 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1i6g s GLU 43 CO 0.28 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 1i6g n GLY 44 N 4.58 1.85 3.70 -1.50 0.00 -1.18 0.13 105.19 112.77 1i6g n GLY 44 Ca -0.10 0.00 -0.31 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 2.93 0.83 0.99 1.43 0.44 -3.97 118.68 121.33 1i6g s LEU 45 Ca 0.00 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1i6g s LEU 45 Cb 0.00 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.75 1i6g s LEU 45 CO 0.00 -2.81 1.09 -2.16 0.23 0.00 0.00 176.35 172.71 1i6g s PRO 46 N -4.65 1.80 0.00 1.29 0.04 -1.26 0.32 135.00 132.54 1i6g s PRO 46 Ca 0.66 0.72 0.17 0.00 0.04 0.00 0.00 61.00 62.59 1i6g s PRO 46 Cb -0.22 -1.88 0.81 0.00 0.04 0.00 0.00 34.50 33.25 1i6g s PRO 46 CO 0.57 -1.84 1.50 -1.91 0.04 0.00 0.00 177.00 175.35 1i6g n GLU 47 N -3.60 0.18 -0.21 4.56 2.13 -1.26 -2.37 120.64 120.07 1i6g n GLU 47 Ca 0.07 0.15 0.06 0.00 0.66 0.00 0.00 57.16 58.10 1i6g n GLU 47 Cb 0.56 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 30.92 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 -1.34 2.98 -4.82 4.31 6.94 -1.26 -5.02 115.26 117.05 1i6g n ASN 48 Ca 0.07 -2.46 -0.32 0.00 -0.02 0.00 0.00 54.58 51.85 1i6g n ASN 48 Cb 0.15 -0.31 0.02 0.00 -2.36 0.00 0.00 39.78 37.27 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i6g s ALA 49 N -1.81 2.81 -0.42 -2.53 0.00 -1.00 -5.01 121.76 113.80 1i6g s ALA 49 Ca 0.26 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 1i6g s ALA 49 Cb 0.19 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1i6g s ALA 49 CO 0.09 -0.87 0.39 0.21 0.00 0.00 0.00 175.76 175.58 1i6g s LYS 50 N -4.57 3.05 0.19 0.00 2.47 -1.26 -5.01 119.74 114.60 1i6g s LYS 50 Ca 0.60 -0.88 -0.04 0.00 -1.56 0.00 0.00 55.97 54.09 1i6g s LYS 50 Cb -0.14 -3.98 -0.03 0.00 -1.46 0.00 0.00 37.83 32.22 1i6g s LYS 50 CO 0.45 -0.83 0.19 0.14 0.16 0.00 0.00 175.35 175.46 1i6g s VAL 51 N 1.97 0.03 0.11 4.02 -7.23 -1.26 -2.28 120.40 115.76 1i6g s VAL 51 Ca 0.09 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 1i6g s VAL 51 Cb -0.18 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 1i6g s VAL 51 CO 0.12 -0.15 0.53 -0.55 -0.31 0.00 0.00 175.10 174.74 1i6g s SER 52 N -3.08 6.86 -0.47 4.85 0.15 -0.43 -4.89 113.70 116.69 1i6g s SER 52 Ca 0.30 1.08 0.03 0.00 0.70 0.00 0.00 55.95 58.06 1i6g s SER 52 Cb 0.05 -2.29 0.45 0.00 -1.71 0.00 0.00 66.02 62.52 1i6g s SER 52 CO 0.08 0.17 1.55 -0.90 1.20 0.00 0.00 173.24 175.33 1i6g n ASP 53 N 1.11 6.10 -3.68 5.45 5.75 -1.26 -4.18 116.55 125.85 1i6g n ASP 53 Ca -0.08 -3.77 -0.09 0.00 -0.01 0.00 0.00 54.79 50.84 1i6g n ASP 53 Cb 0.52 -0.62 -0.10 0.00 -1.03 0.00 0.00 41.12 39.89 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 -2.82 -0.62 0.00 -1.12 1.04 -1.26 -5.01 113.70 103.91 1i6g s SER 54 Ca 0.56 1.06 0.14 0.00 0.48 0.00 0.00 55.95 58.19 1i6g s SER 54 Cb 0.45 0.96 0.67 0.00 0.10 0.00 0.00 66.02 68.20 1i6g s SER 54 CO -0.01 -0.21 1.45 0.00 0.98 0.00 0.00 173.24 175.46 1i6g n ALA 55 N 4.34 2.54 -3.18 5.32 0.00 -1.26 -4.32 120.51 123.96 1i6g n ALA 55 Ca -0.22 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 1i6g n ALA 55 Cb 0.56 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.32 -0.77 -3.65 0.00 -2.24 -1.26 -5.09 114.28 100.95 1i6g n THR 56 Ca 0.11 -3.10 -0.02 0.00 -2.27 0.00 0.00 64.05 58.77 1i6g n THR 56 Cb 0.13 -1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 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 -0.40 -1.04 0.06 3.42 4.22 -1.26 -5.16 114.94 114.78 1i6g s ASN 57 Ca 0.33 1.51 0.08 0.00 -2.14 0.00 0.00 52.86 52.64 1i6g s ASN 57 Cb 0.10 2.18 -0.03 0.00 1.28 0.00 0.00 41.25 44.78 1i6g s ASN 57 CO -0.16 -0.22 -0.20 -0.63 -2.04 0.00 0.00 177.10 173.85 1i6g s ILE 58 N 2.85 2.65 0.02 0.54 1.01 -1.26 -4.91 121.20 122.10 1i6g s ILE 58 Ca -0.06 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.29 1i6g s ILE 58 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1i6g s ILE 58 CO -0.18 0.27 -0.04 0.00 0.00 0.00 0.00 174.94 174.99