#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6x s PRO 2 N 0.00 4.25 0.36 2.89 0.02 -1.26 -4.89 135.00 136.36 1g6x s PRO 2 Ca 0.00 2.36 0.07 0.00 0.02 0.00 0.00 61.00 63.46 1g6x s PRO 2 Cb 0.00 -3.06 0.78 0.00 0.02 0.00 0.00 34.50 32.24 1g6x s PRO 2 CO 0.00 -0.40 1.93 -0.44 -0.33 0.00 0.00 177.00 177.76 1g6x h ASP 3 N 4.11 0.64 0.63 2.53 3.32 -2.02 -1.51 116.42 124.13 1g6x h ASP 3 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1g6x h ASP 3 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1g6x h ASP 3 CO 0.71 0.39 0.00 2.19 -1.72 0.00 0.00 179.24 180.81 1g6x h PHE 4 N 0.71 0.00 0.00 4.55 -5.15 -1.99 -1.05 116.94 114.01 1g6x h PHE 4 Ca 0.36 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.13 1g6x h PHE 4 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.60 1g6x h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1g6x n LEU 6 N -2.64 0.65 -4.79 0.00 4.77 -0.40 -4.60 117.00 109.99 1g6x n LEU 6 Ca 0.01 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 1g6x n LEU 6 Cb 0.21 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1g6x n LEU 6 CO 0.21 0.15 0.72 -1.61 -1.33 0.00 0.00 177.39 175.53 1g6x s GLU 7 N -2.90 3.93 0.70 3.23 0.41 -1.10 -4.93 118.70 118.05 1g6x s GLU 7 Ca 0.13 1.41 -0.16 0.00 -0.41 0.00 0.00 54.97 55.95 1g6x s GLU 7 Cb 0.18 -2.25 0.02 0.00 -1.78 0.00 0.00 34.13 30.30 1g6x s GLU 7 CO 0.67 -0.32 1.19 -1.25 -0.49 0.00 0.00 175.26 175.07 1g6x s PRO 8 N -2.97 2.37 0.56 0.39 0.04 -1.26 -4.93 135.00 129.20 1g6x s PRO 8 Ca 0.64 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 63.20 1g6x s PRO 8 Cb -0.18 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1g6x s PRO 8 CO 0.22 -1.65 1.24 -1.25 0.04 0.00 0.00 177.00 175.61 1g6x s PRO 9 N -3.84 3.11 -0.28 0.56 0.04 -1.26 -4.97 135.00 128.36 1g6x s PRO 9 Ca 0.74 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1g6x s PRO 9 Cb -0.28 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.26 1g6x s PRO 9 CO 0.43 -1.12 0.03 -0.47 0.04 0.00 0.00 177.00 175.90 1g6x s TYR 10 N -1.50 2.45 0.19 0.56 5.04 -1.26 -4.98 117.35 117.85 1g6x s TYR 10 Ca 0.74 -2.02 -0.04 0.00 -2.44 0.00 0.00 57.07 53.31 1g6x s TYR 10 Cb -0.33 -1.94 0.12 0.00 0.35 0.00 0.00 41.96 40.16 1g6x s TYR 10 CO 0.37 -0.85 1.53 0.00 -1.34 0.00 0.00 175.55 175.27 1g6x h ALA 11 N 7.93 0.73 -1.06 3.97 0.00 -1.95 -3.44 119.26 125.44 1g6x h ALA 11 Ca -0.13 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1g6x h ALA 11 Cb 1.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1g6x h ALA 11 CO 0.46 0.67 -0.13 0.41 0.00 0.00 0.00 179.25 180.66 1g6x n GLY 12 N 0.13 -1.95 0.10 0.00 0.00 -1.26 -0.86 105.19 101.33 1g6x n GLY 12 Ca -0.02 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1g6x n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g6x h ALA 13 N -0.47 0.53 -2.47 4.61 0.00 -1.93 -3.44 119.26 116.10 1g6x h ALA 13 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.45 1g6x h ALA 13 Cb 0.32 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.23 1g6x h ALA 13 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.57 1g6x n ARG 15 N -3.60 2.95 -1.85 0.00 1.74 -1.16 -4.42 116.66 110.32 1g6x n ARG 15 Ca 0.07 -2.77 -0.30 0.00 -0.77 0.00 0.00 57.85 54.08 1g6x n ARG 15 Cb 0.58 -1.79 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1g6x n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g6x s ALA 16 N -2.64 2.88 -0.45 7.54 0.00 -0.51 -5.03 121.76 123.55 1g6x s ALA 16 Ca 0.40 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1g6x s ALA 16 Cb 0.32 -3.04 0.12 0.00 0.00 0.00 0.00 23.12 20.52 1g6x s ALA 16 CO 0.10 -1.11 0.20 1.03 0.00 0.00 0.00 175.76 175.98 1g6x s ARG 17 N -5.31 1.60 -0.18 0.00 0.52 -1.26 -4.04 118.95 110.28 1g6x s ARG 17 Ca 0.58 -2.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1g6x s ARG 17 Cb -0.11 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.42 1g6x s ARG 17 CO 0.52 -1.08 -0.17 0.42 0.02 0.00 0.00 175.30 175.02 1g6x s ILE 18 N 0.27 2.33 -0.13 1.52 1.01 -0.57 -4.95 121.20 120.68 1g6x s ILE 18 Ca 0.15 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1g6x s ILE 18 Cb -0.23 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1g6x s ILE 18 CO -0.04 0.52 0.99 -0.63 0.00 0.00 0.00 174.94 175.78 1g6x s ILE 19 N 1.23 4.78 0.33 2.92 -1.09 -1.26 -0.60 121.20 127.51 1g6x s ILE 19 Ca 0.03 1.99 0.03 0.00 -2.23 0.00 0.00 60.65 60.47 1g6x s ILE 19 Cb -0.14 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 1g6x s ILE 19 CO -0.09 -0.02 0.09 -0.13 -1.23 0.00 0.00 174.94 173.56 1g6x s ARG 20 N 2.19 1.65 0.06 2.79 1.81 -0.45 -4.95 118.95 122.04 1g6x s ARG 20 Ca 0.46 -1.94 0.06 0.00 -1.72 0.00 0.00 55.73 52.60 1g6x s ARG 20 Cb -0.18 -0.64 -0.04 0.00 -0.45 0.00 0.00 34.95 33.65 1g6x s ARG 20 CO 0.16 -0.29 -0.12 0.71 -0.68 0.00 0.00 175.30 175.08 1g6x s TYR 21 N -3.40 2.71 0.06 -0.53 1.51 -0.02 -0.72 117.35 116.95 1g6x s TYR 21 Ca 0.34 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1g6x s TYR 21 Cb 0.07 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1g6x s TYR 21 CO 0.15 0.35 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.28 1g6x s PHE 22 N -1.06 0.72 -0.19 2.71 -0.71 -0.05 -0.55 117.98 118.86 1g6x s PHE 22 Ca 0.18 -0.61 -0.27 0.00 -1.04 0.00 0.00 56.93 55.19 1g6x s PHE 22 Cb -0.11 -0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 41.27 1g6x s PHE 22 CO 0.09 -0.11 0.92 -0.47 -1.34 0.00 0.00 175.22 174.31 1g6x s TYR 23 N -1.98 3.39 -0.55 3.49 5.04 -1.26 -0.86 117.35 124.63 1g6x s TYR 23 Ca -0.04 1.34 -0.19 0.00 -2.44 0.00 0.00 57.07 55.74 1g6x s TYR 23 Cb -0.06 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 39.21 1g6x s TYR 23 CO -0.01 -0.34 0.64 1.21 -1.34 0.00 0.00 175.55 175.71 1g6x s ASN 24 N 1.20 6.20 0.35 4.32 3.84 0.10 -4.78 114.94 126.16 1g6x s ASN 24 Ca 0.41 -1.22 0.18 0.00 0.21 0.00 0.00 52.86 52.44 1g6x s ASN 24 Cb -0.16 -2.29 0.50 0.00 -0.55 0.00 0.00 41.25 38.75 1g6x s ASN 24 CO 0.10 -0.98 1.64 0.00 -2.79 0.00 0.00 177.10 175.08 1g6x h ALA 25 N 9.07 0.88 -0.16 1.71 0.00 -1.84 0.20 119.26 129.12 1g6x h ALA 25 Ca -0.29 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1g6x h ALA 25 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1g6x h ALA 25 CO 1.03 0.52 -0.02 -0.22 0.00 0.00 0.00 179.25 180.56 1g6x h LYS 26 N 0.00 0.29 0.00 0.00 3.11 -1.95 -3.19 116.57 114.83 1g6x h LYS 26 Ca -0.00 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.64 1g6x h LYS 26 Cb 1.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 1g6x h LYS 26 CO 0.05 0.55 -0.43 0.00 -2.81 0.00 0.00 179.45 176.81 1g6x h ALA 27 N 0.74 0.86 -1.56 5.00 0.00 -1.94 -3.47 119.26 118.89 1g6x h ALA 27 Ca 0.04 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 1g6x h ALA 27 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1g6x h ALA 27 CO 0.01 0.54 -0.30 0.41 0.00 0.00 0.00 179.25 179.91 1g6x n GLY 28 N 0.59 0.11 3.09 0.00 0.00 0.68 -5.04 105.19 104.63 1g6x n GLY 28 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1g6x n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g6x s LEU 29 N -3.42 1.94 0.00 0.99 1.43 -1.13 -5.00 118.68 113.50 1g6x s LEU 29 Ca 0.00 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1g6x s LEU 29 Cb 0.00 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1g6x s LEU 29 CO 0.00 0.14 0.90 0.00 0.23 0.00 0.00 176.35 177.62 1g6x s GLN 31 N 0.73 1.55 0.40 0.00 -0.21 -0.04 -4.92 119.66 117.17 1g6x s GLN 31 Ca 0.47 -1.73 -0.10 0.00 0.02 0.00 0.00 55.36 54.03 1g6x s GLN 31 Cb -0.21 -1.42 -0.06 0.00 1.00 0.00 0.00 33.01 32.32 1g6x s GLN 31 CO 0.26 0.21 0.75 0.95 -2.12 0.00 0.00 175.29 175.34 1g6x s THR 32 N -2.77 4.81 0.18 -0.19 -4.23 -1.26 -0.87 115.64 111.30 1g6x s THR 32 Ca 0.27 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 1g6x s THR 32 Cb -0.01 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1g6x s THR 32 CO 0.12 -0.51 0.40 0.72 -0.54 0.00 0.00 174.62 174.80 1g6x s PHE 33 N -2.36 0.14 -0.28 3.99 -0.71 0.10 -4.89 117.98 113.97 1g6x s PHE 33 Ca 0.51 -0.49 -0.14 0.00 -1.04 0.00 0.00 56.93 55.76 1g6x s PHE 33 Cb -0.10 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1g6x s PHE 33 CO 0.31 -0.81 0.34 0.08 -1.34 0.00 0.00 175.22 173.80 1g6x s VAL 34 N -3.92 5.20 -0.13 -2.49 1.01 -1.26 -1.34 120.40 117.47 1g6x s VAL 34 Ca 0.13 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1g6x s VAL 34 Cb 0.01 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1g6x s VAL 34 CO -0.02 0.15 0.12 -0.47 0.00 0.00 0.00 175.10 174.88 1g6x s TYR 35 N 2.01 3.49 -1.81 5.22 5.04 0.23 -4.53 117.35 127.01 1g6x s TYR 35 Ca 0.13 0.43 0.28 0.00 -2.44 0.00 0.00 57.07 55.47 1g6x s TYR 35 Cb -0.16 -1.96 1.12 0.00 0.35 0.00 0.00 41.96 41.31 1g6x s TYR 35 CO 0.10 0.60 1.79 0.41 -1.34 0.00 0.00 175.55 177.11 1g6x n GLY 36 N 2.34 -0.74 0.24 8.97 0.00 -0.04 -1.51 105.19 114.45 1g6x n GLY 36 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1g6x n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6x n GLY 37 N 1.27 0.54 3.07 -0.02 0.00 -1.26 -1.43 105.19 107.35 1g6x n GLY 37 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1g6x n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g6x n ARG 39 N 1.29 -2.19 -1.61 0.00 5.12 -1.26 -4.59 116.66 113.41 1g6x n ARG 39 Ca -0.22 0.61 -0.44 0.00 -1.93 0.00 0.00 57.85 55.87 1g6x n ARG 39 Cb 0.55 -4.81 -0.01 0.00 -1.16 0.00 0.00 32.46 27.03 1g6x n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1g6x n ALA 40 N -2.34 0.06 -2.02 7.54 0.00 -1.26 -4.91 120.51 117.58 1g6x n ALA 40 Ca -0.11 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 1g6x n ALA 40 Cb 0.60 -2.06 0.10 0.00 0.00 0.00 0.00 19.45 18.08 1g6x n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1g6x s LYS 41 N -1.61 1.79 0.24 0.00 1.02 -1.26 -5.04 119.74 114.89 1g6x s LYS 41 Ca 0.58 -1.44 0.13 0.00 0.02 0.00 0.00 55.97 55.26 1g6x s LYS 41 Cb -0.68 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.24 1g6x s LYS 41 CO 0.60 -1.34 1.43 0.00 -0.92 0.00 0.00 175.35 175.13 1g6x h ARG 42 N -0.33 0.00 -3.57 1.68 3.08 -1.95 -3.34 114.38 109.96 1g6x h ARG 42 Ca -0.32 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.01 1g6x h ARG 42 Cb 1.27 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.25 1g6x h ARG 42 CO 0.38 0.63 2.80 -1.71 -1.07 0.00 0.00 179.97 181.01 1g6x n ASN 43 N -3.31 5.32 -3.15 7.04 5.15 -1.26 -4.67 115.26 120.39 1g6x n ASN 43 Ca 0.01 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 51.11 1g6x n ASN 43 Cb 0.77 -1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.45 1g6x n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1g6x s ASN 44 N 2.01 -1.35 0.15 1.20 3.84 -1.24 -4.51 114.94 115.04 1g6x s ASN 44 Ca 0.48 0.57 0.08 0.00 0.21 0.00 0.00 52.86 54.21 1g6x s ASN 44 Cb 0.14 2.02 -0.04 0.00 -0.55 0.00 0.00 41.25 42.82 1g6x s ASN 44 CO -0.05 -0.25 -0.19 -0.36 -2.79 0.00 0.00 177.10 173.45 1g6x s PHE 45 N 2.86 1.82 -0.84 0.43 0.08 0.29 -4.93 117.98 117.70 1g6x s PHE 45 Ca 0.16 -0.45 0.27 0.00 0.12 0.00 0.00 56.93 57.02 1g6x s PHE 45 Cb -0.12 -0.93 0.84 0.00 -0.57 0.00 0.00 43.02 42.23 1g6x s PHE 45 CO -0.22 0.30 1.71 1.63 -0.10 0.00 0.00 175.22 178.54 1g6x n LYS 46 N 0.52 0.15 -3.76 0.44 5.02 -1.26 -0.84 118.16 118.43 1g6x n LYS 46 Ca -0.15 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1g6x n LYS 46 Cb 0.56 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 1g6x n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1g6x s SER 47 N -3.81 -0.06 0.23 4.39 1.04 -1.26 -4.87 113.70 109.35 1g6x s SER 47 Ca 0.11 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 1g6x s SER 47 Cb 0.15 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.85 1g6x s SER 47 CO 0.61 -0.71 1.86 0.00 0.98 0.00 0.00 173.24 175.98 1g6x h ALA 48 N 2.88 1.11 -0.38 5.32 0.00 -1.97 -2.26 119.26 123.96 1g6x h ALA 48 Ca -0.33 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1g6x h ALA 48 Cb 1.21 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1g6x h ALA 48 CO 0.50 0.60 0.22 1.49 0.00 0.00 0.00 179.25 182.05 1g6x h GLU 49 N 1.21 0.44 -0.57 0.00 4.81 -1.99 0.16 114.58 118.64 1g6x h GLU 49 Ca 0.31 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1g6x h GLU 49 Cb -0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1g6x h GLU 49 CO -0.05 0.29 0.06 0.22 -0.73 0.00 0.00 179.01 178.79 1g6x h ASP 50 N 0.45 0.94 -0.22 1.04 3.58 -1.93 0.03 116.42 120.31 1g6x h ASP 50 Ca 0.15 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.33 1g6x h ASP 50 Cb 0.00 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 1g6x h ASP 50 CO -0.07 0.98 0.12 0.00 -2.88 0.00 0.00 179.24 177.39 1g6x h LEU 52 N 0.25 0.92 -0.97 0.00 3.38 -0.78 0.33 115.31 118.44 1g6x h LEU 52 Ca 0.09 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1g6x h LEU 52 Cb 0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 1g6x h LEU 52 CO -0.05 1.19 0.63 -0.09 0.09 0.00 0.00 178.44 180.20 1g6x h ARG 53 N 0.66 1.13 0.06 1.13 2.43 -0.91 0.10 114.38 118.98 1g6x h ARG 53 Ca 0.06 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1g6x h ARG 53 Cb 0.92 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1g6x h ARG 53 CO 0.08 0.75 -0.62 1.15 -1.51 0.00 0.00 179.97 179.82 1g6x h THR 54 N 1.17 1.49 0.00 0.20 2.02 -1.15 -3.42 112.91 113.22 1g6x h THR 54 Ca 0.41 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1g6x h THR 54 Cb 0.10 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1g6x h THR 54 CO -0.15 0.64 -1.33 0.00 0.37 0.00 0.00 175.52 175.04 1g6x n GLY 56 N 1.96 2.42 0.00 0.00 0.00 0.36 -4.86 105.19 105.07 1g6x n GLY 56 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1g6x n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g6x n GLY 57 N 0.47 -1.08 0.28 -0.02 0.00 -1.26 -4.98 105.19 98.60 1g6x n GLY 57 Ca 0.18 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1g6x n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32