#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6u s PRO 2 N 0.00 2.69 0.46 2.89 0.04 -1.24 -4.81 135.00 135.03 1k6u s PRO 2 Ca 0.00 1.39 0.15 0.00 0.04 0.00 0.00 61.00 62.58 1k6u s PRO 2 Cb 0.00 -1.94 1.11 0.00 0.04 0.00 0.00 34.50 33.72 1k6u s PRO 2 CO 0.00 -1.34 2.02 -0.44 0.04 0.00 0.00 177.00 177.28 1k6u h ASP 3 N -0.13 0.25 0.19 6.66 3.32 -2.00 -1.40 116.42 123.32 1k6u h ASP 3 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1k6u h ASP 3 Cb 1.25 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1k6u h ASP 3 CO 0.53 0.16 -0.03 2.19 -1.72 0.00 0.00 179.24 180.37 1k6u h PHE 4 N 0.29 0.00 0.00 4.55 -5.15 -1.99 -0.79 116.94 113.84 1k6u h PHE 4 Ca 0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.98 1k6u h PHE 4 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 1k6u h PHE 4 CO -0.00 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 176.34 1k6u n LEU 6 N -2.07 1.06 -4.79 0.00 4.77 -0.30 -4.58 117.00 111.08 1k6u n LEU 6 Ca 0.01 -0.31 -0.35 0.00 -0.03 0.00 0.00 56.01 55.33 1k6u n LEU 6 Cb 0.16 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1k6u n LEU 6 CO 0.15 0.22 0.72 -1.61 -1.33 0.00 0.00 177.39 175.54 1k6u s GLU 7 N -2.70 3.87 0.73 3.23 0.41 -1.05 -4.93 118.70 118.25 1k6u s GLU 7 Ca 0.17 1.41 -0.14 0.00 -0.41 0.00 0.00 54.97 56.00 1k6u s GLU 7 Cb 0.18 -2.19 0.04 0.00 -1.78 0.00 0.00 34.13 30.38 1k6u s GLU 7 CO 0.63 -0.38 1.17 -1.25 -0.49 0.00 0.00 175.26 174.93 1k6u s PRO 8 N -3.07 2.22 0.55 0.39 0.04 -1.26 -4.93 135.00 128.95 1k6u s PRO 8 Ca 0.65 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 1k6u s PRO 8 Cb -0.18 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1k6u s PRO 8 CO 0.22 -1.74 1.23 -1.25 0.04 0.00 0.00 177.00 175.51 1k6u s PRO 9 N -4.08 3.20 -0.30 0.56 0.04 -1.26 -4.97 135.00 128.19 1k6u s PRO 9 Ca 0.71 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.68 1k6u s PRO 9 Cb -0.26 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.25 1k6u s PRO 9 CO 0.46 -1.04 0.03 -0.47 0.04 0.00 0.00 177.00 176.02 1k6u s TYR 10 N -1.51 2.81 0.27 0.56 5.04 -1.26 -4.97 117.35 118.29 1k6u s TYR 10 Ca 0.73 -2.31 0.02 0.00 -2.44 0.00 0.00 57.07 53.07 1k6u s TYR 10 Cb -0.32 -2.21 0.37 0.00 0.35 0.00 0.00 41.96 40.15 1k6u s TYR 10 CO 0.37 -0.88 1.70 0.00 -1.34 0.00 0.00 175.55 175.39 1k6u h ALA 11 N 7.84 1.05 -1.15 3.97 0.00 -1.95 -3.44 119.26 125.59 1k6u h ALA 11 Ca -0.11 -0.36 0.12 0.00 0.00 0.00 0.00 54.91 54.56 1k6u h ALA 11 Cb 1.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1k6u h ALA 11 CO 0.48 0.58 -0.16 0.41 0.00 0.00 0.00 179.25 180.56 1k6u n GLY 12 N -0.31 -2.01 0.05 0.00 0.00 -1.26 -0.98 105.19 100.68 1k6u n GLY 12 Ca -0.01 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.78 1k6u n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6u n ALA 13 N -1.13 3.08 -1.55 4.61 0.00 -1.26 -4.72 120.51 119.53 1k6u n ALA 13 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1k6u n ALA 13 Cb 0.20 -1.10 0.12 0.00 0.00 0.00 0.00 19.45 18.67 1k6u n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k6u n ARG 15 N -3.66 2.16 -1.20 0.00 1.74 -1.15 -4.40 116.66 110.15 1k6u n ARG 15 Ca 0.07 -1.96 -0.30 0.00 -0.77 0.00 0.00 57.85 54.89 1k6u n ARG 15 Cb 0.58 -1.36 0.14 0.00 -1.02 0.00 0.00 32.46 30.80 1k6u n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k6u s ALA 16 N -1.16 1.45 -0.43 7.54 0.00 -0.49 -5.02 121.76 123.65 1k6u s ALA 16 Ca 0.28 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1k6u s ALA 16 Cb 0.16 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 20.23 1k6u s ALA 16 CO 0.22 -2.43 0.20 1.03 0.00 0.00 0.00 175.76 174.78 1k6u s ARG 17 N -4.94 1.44 -0.19 0.00 0.52 -1.26 -4.02 118.95 110.50 1k6u s ARG 17 Ca 0.64 -2.05 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 1k6u s ARG 17 Cb -0.18 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1k6u s ARG 17 CO 0.57 -1.09 -0.14 0.42 0.02 0.00 0.00 175.30 175.08 1k6u s ILE 18 N 0.40 2.65 -0.16 1.52 1.01 -0.44 -4.95 121.20 121.24 1k6u s ILE 18 Ca 0.15 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 1k6u s ILE 18 Cb -0.23 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1k6u s ILE 18 CO -0.04 0.50 0.94 -0.63 0.00 0.00 0.00 174.94 175.70 1k6u s ILE 19 N 1.22 4.80 0.35 2.92 -1.09 -1.26 -0.63 121.20 127.51 1k6u s ILE 19 Ca 0.02 1.85 0.04 0.00 -2.23 0.00 0.00 60.65 60.33 1k6u s ILE 19 Cb -0.14 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1k6u s ILE 19 CO -0.06 -0.03 0.07 -0.13 -1.23 0.00 0.00 174.94 173.56 1k6u s ARG 20 N 2.36 1.72 0.05 2.79 1.81 -0.38 -4.95 118.95 122.35 1k6u s ARG 20 Ca 0.43 -1.98 0.07 0.00 -1.72 0.00 0.00 55.73 52.52 1k6u s ARG 20 Cb -0.17 -0.82 -0.03 0.00 -0.45 0.00 0.00 34.95 33.48 1k6u s ARG 20 CO 0.13 -0.25 -0.16 0.71 -0.68 0.00 0.00 175.30 175.04 1k6u s TYR 21 N -3.28 2.62 0.06 -0.53 1.51 -0.00 -0.67 117.35 117.05 1k6u s TYR 21 Ca 0.33 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1k6u s TYR 21 Cb 0.07 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1k6u s TYR 21 CO 0.15 0.30 -0.08 -0.59 -1.11 0.00 0.00 175.55 174.21 1k6u s PHE 22 N -0.98 0.76 -0.15 2.71 -0.71 -0.12 -0.59 117.98 118.90 1k6u s PHE 22 Ca 0.16 -0.59 -0.27 0.00 -1.04 0.00 0.00 56.93 55.19 1k6u s PHE 22 Cb -0.11 -0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1k6u s PHE 22 CO 0.07 -0.09 0.92 -0.47 -1.34 0.00 0.00 175.22 174.31 1k6u s TYR 23 N -1.86 3.46 -0.45 3.49 5.04 -1.26 -0.85 117.35 124.91 1k6u s TYR 23 Ca -0.05 1.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.85 1k6u s TYR 23 Cb -0.07 -3.10 0.05 0.00 0.35 0.00 0.00 41.96 39.19 1k6u s TYR 23 CO -0.01 -0.25 0.36 1.21 -1.34 0.00 0.00 175.55 175.53 1k6u s ASN 24 N 1.13 6.13 0.19 4.32 3.84 -0.12 -4.76 114.94 125.66 1k6u s ASN 24 Ca 0.43 -1.18 0.08 0.00 0.21 0.00 0.00 52.86 52.40 1k6u s ASN 24 Cb -0.17 -2.17 0.05 0.00 -0.55 0.00 0.00 41.25 38.41 1k6u s ASN 24 CO 0.14 -0.58 1.43 0.00 -2.79 0.00 0.00 177.10 175.31 1k6u h ALA 25 N 8.71 0.64 -0.28 1.71 0.00 -1.84 0.30 119.26 128.50 1k6u h ALA 25 Ca -0.28 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1k6u h ALA 25 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k6u h ALA 25 CO 0.83 1.03 0.04 -0.22 0.00 0.00 0.00 179.25 180.92 1k6u h LYS 26 N 0.00 0.46 0.00 0.00 3.11 -1.96 -3.10 116.57 115.09 1k6u h LYS 26 Ca -0.01 -0.13 -0.07 0.00 -2.81 0.00 0.00 60.65 57.63 1k6u h LYS 26 Cb 1.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.63 1k6u h LYS 26 CO 0.11 0.58 -0.33 0.00 -2.81 0.00 0.00 179.45 177.00 1k6u h ALA 27 N 0.86 0.91 -1.85 5.00 0.00 -1.93 -3.47 119.26 118.79 1k6u h ALA 27 Ca 0.08 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1k6u h ALA 27 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1k6u h ALA 27 CO 0.01 0.41 -0.32 0.41 0.00 0.00 0.00 179.25 179.76 1k6u n GLY 28 N 0.53 -0.13 2.94 0.00 0.00 0.10 -5.03 105.19 103.61 1k6u n GLY 28 Ca 0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1k6u n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k6u s LEU 29 N -3.58 1.77 0.06 0.99 1.43 -1.10 -5.00 118.68 113.25 1k6u s LEU 29 Ca 0.02 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 1k6u s LEU 29 Cb -0.01 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.83 1k6u s LEU 29 CO 0.02 0.03 0.91 0.00 0.23 0.00 0.00 176.35 177.54 1k6u s GLN 31 N 0.28 1.69 0.37 0.00 -0.21 -0.03 -4.92 119.66 116.84 1k6u s GLN 31 Ca 0.46 -1.83 -0.11 0.00 0.02 0.00 0.00 55.36 53.90 1k6u s GLN 31 Cb -0.22 -1.61 -0.07 0.00 1.00 0.00 0.00 33.01 32.11 1k6u s GLN 31 CO 0.27 0.20 0.74 0.95 -2.12 0.00 0.00 175.29 175.33 1k6u s THR 32 N -2.65 4.78 0.18 -0.19 -4.23 -1.26 -0.95 115.64 111.32 1k6u s THR 32 Ca 0.30 0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 1k6u s THR 32 Cb -0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1k6u s THR 32 CO 0.15 -0.41 0.37 0.72 -0.54 0.00 0.00 174.62 174.91 1k6u s PHE 33 N -2.24 0.22 -0.32 3.99 -0.71 0.15 -4.89 117.98 114.19 1k6u s PHE 33 Ca 0.51 -0.58 -0.16 0.00 -1.04 0.00 0.00 56.93 55.66 1k6u s PHE 33 Cb -0.10 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1k6u s PHE 33 CO 0.27 -0.80 0.41 0.08 -1.34 0.00 0.00 175.22 173.84 1k6u s VAL 34 N -3.94 5.13 -0.13 -2.49 1.01 -1.26 -1.25 120.40 117.46 1k6u s VAL 34 Ca 0.15 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1k6u s VAL 34 Cb 0.02 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1k6u s VAL 34 CO -0.01 -0.03 0.11 -0.47 0.00 0.00 0.00 175.10 174.71 1k6u s TYR 35 N 2.14 3.47 -1.59 5.22 5.04 0.20 -4.51 117.35 127.33 1k6u s TYR 35 Ca 0.15 0.40 0.28 0.00 -2.44 0.00 0.00 57.07 55.46 1k6u s TYR 35 Cb -0.16 -1.97 1.06 0.00 0.35 0.00 0.00 41.96 41.24 1k6u s TYR 35 CO 0.11 0.57 1.76 0.41 -1.34 0.00 0.00 175.55 177.06 1k6u n GLY 36 N 2.41 -0.92 0.00 8.97 0.00 -0.15 -1.33 105.19 114.17 1k6u n GLY 36 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1k6u n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6u n GLY 37 N 1.32 0.34 3.07 -0.02 0.00 -1.26 -1.39 105.19 107.24 1k6u n GLY 37 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1k6u n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6u n ARG 39 N 1.34 -3.67 -1.65 0.00 5.12 -1.26 -4.56 116.66 111.98 1k6u n ARG 39 Ca -0.22 0.65 -0.43 0.00 -1.93 0.00 0.00 57.85 55.92 1k6u n ARG 39 Cb 0.55 -4.98 -0.01 0.00 -1.16 0.00 0.00 32.46 26.87 1k6u n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k6u n ALA 40 N -3.13 0.63 -2.01 7.54 0.00 -1.26 -4.90 120.51 117.38 1k6u n ALA 40 Ca -0.08 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 1k6u n ALA 40 Cb 0.58 -2.15 0.11 0.00 0.00 0.00 0.00 19.45 17.99 1k6u n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k6u s LYS 41 N -1.81 1.69 0.21 0.00 1.02 -1.26 -5.03 119.74 114.57 1k6u s LYS 41 Ca 0.58 -1.37 0.11 0.00 0.02 0.00 0.00 55.97 55.31 1k6u s LYS 41 Cb -0.61 -2.40 0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1k6u s LYS 41 CO 0.61 -1.42 1.43 0.00 -0.92 0.00 0.00 175.35 175.04 1k6u h ARG 42 N -0.43 0.00 -3.55 1.68 3.08 -1.95 -3.34 114.38 109.88 1k6u h ARG 42 Ca -0.33 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.03 1k6u h ARG 42 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1k6u h ARG 42 CO 0.38 0.75 3.42 -1.71 -1.07 0.00 0.00 179.97 181.74 1k6u n ASN 43 N -3.42 6.04 -3.15 7.04 5.15 -1.26 -4.66 115.26 121.00 1k6u n ASN 43 Ca 0.00 -2.73 0.04 0.00 -0.60 0.00 0.00 54.58 51.29 1k6u n ASN 43 Cb 0.79 -1.61 -0.01 0.00 -0.53 0.00 0.00 39.78 38.42 1k6u n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1k6u s ASN 44 N 2.68 -1.35 0.14 1.20 3.84 -1.23 -4.50 114.94 115.72 1k6u s ASN 44 Ca 0.57 0.68 0.07 0.00 0.21 0.00 0.00 52.86 54.39 1k6u s ASN 44 Cb 0.16 2.07 -0.04 0.00 -0.55 0.00 0.00 41.25 42.89 1k6u s ASN 44 CO -0.08 -0.25 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.46 1k6u s PHE 45 N 2.86 1.65 -0.91 0.43 0.08 0.24 -4.92 117.98 117.41 1k6u s PHE 45 Ca 0.17 -0.50 0.27 0.00 0.12 0.00 0.00 56.93 56.99 1k6u s PHE 45 Cb -0.13 -0.84 0.92 0.00 -0.57 0.00 0.00 43.02 42.40 1k6u s PHE 45 CO -0.21 0.25 1.74 1.63 -0.10 0.00 0.00 175.22 178.52 1k6u n LYS 46 N 0.45 0.08 -3.72 0.44 5.02 -1.26 -0.82 118.16 118.34 1k6u n LYS 46 Ca -0.15 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1k6u n LYS 46 Cb 0.57 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 1k6u n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k6u s SER 47 N -3.42 -0.18 0.23 4.39 1.04 -1.26 -4.87 113.70 109.62 1k6u s SER 47 Ca 0.12 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 1k6u s SER 47 Cb 0.17 0.39 0.26 0.00 0.10 0.00 0.00 66.02 66.94 1k6u s SER 47 CO 0.60 -0.64 1.85 0.00 0.98 0.00 0.00 173.24 176.03 1k6u h ALA 48 N 3.11 1.07 -0.27 5.32 0.00 -1.97 -2.22 119.26 124.29 1k6u h ALA 48 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1k6u h ALA 48 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1k6u h ALA 48 CO 0.45 0.27 0.18 1.49 0.00 0.00 0.00 179.25 181.64 1k6u h GLU 49 N 0.94 0.36 -0.67 0.00 4.81 -1.99 -0.06 114.58 117.97 1k6u h GLU 49 Ca 0.33 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1k6u h GLU 49 Cb 0.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1k6u h GLU 49 CO -0.14 0.24 0.12 0.22 -0.73 0.00 0.00 179.01 178.72 1k6u h ASP 50 N 0.37 1.07 -0.17 1.04 3.58 -1.94 0.58 116.42 120.95 1k6u h ASP 50 Ca 0.10 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.30 1k6u h ASP 50 Cb -0.04 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.71 1k6u h ASP 50 CO -0.02 1.05 0.08 0.00 -2.88 0.00 0.00 179.24 177.47 1k6u h LEU 52 N 0.18 0.81 -0.88 0.00 3.38 -0.82 0.25 115.31 118.24 1k6u h LEU 52 Ca 0.07 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1k6u h LEU 52 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1k6u h LEU 52 CO -0.05 1.11 0.58 -0.09 0.09 0.00 0.00 178.44 180.08 1k6u h ARG 53 N 0.61 1.13 0.02 1.13 2.43 -0.76 0.72 114.38 119.67 1k6u h ARG 53 Ca 0.05 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1k6u h ARG 53 Cb 0.97 -0.26 0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1k6u h ARG 53 CO 0.09 0.75 -0.77 1.15 -1.51 0.00 0.00 179.97 179.68 1k6u h THR 54 N 1.17 1.39 -0.00 0.20 2.02 -1.05 -3.41 112.91 113.23 1k6u h THR 54 Ca 0.33 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1k6u h THR 54 Cb -0.10 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1k6u h THR 54 CO -0.08 0.65 -0.27 0.00 0.37 0.00 0.00 175.52 176.18 1k6u h GLY 56 N 1.64 0.00 -2.84 0.00 0.00 -1.00 -3.43 103.07 97.44 1k6u h GLY 56 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1k6u h GLY 56 CO 0.00 0.00 -0.34 -0.32 0.00 0.00 0.00 176.54 175.88 1k6u s GLY 57 N -4.39 0.41 0.00 4.60 0.00 -1.26 -4.93 107.32 101.74 1k6u s GLY 57 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1k6u s GLY 57 CO 0.71 -0.84 0.00 0.00 0.00 0.00 0.00 173.10 172.97