#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n THR 26 N 0.00 -6.51 -3.07 0.00 -1.04 -1.26 -4.99 114.28 97.41 3k1f n THR 26 Ca 0.00 -0.94 -0.45 0.00 -2.04 0.00 0.00 64.05 60.62 3k1f n THR 26 Cb 0.00 -4.88 -0.03 0.00 -1.82 0.00 0.00 70.33 63.60 3k1f n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3k1f s LEU 27 N -6.20 5.53 0.05 -4.42 2.34 -1.26 -4.92 118.68 109.81 3k1f s LEU 27 Ca 0.32 -1.99 -0.01 0.00 0.06 0.00 0.00 54.13 52.52 3k1f s LEU 27 Cb -0.08 -2.33 -0.27 0.00 -0.56 0.00 0.00 46.19 42.95 3k1f s LEU 27 CO 0.81 -0.98 1.05 0.50 -1.06 0.00 0.00 176.35 176.67 3k1f h LYS 28 N 8.70 0.20 -2.39 1.48 3.64 -1.90 -3.43 116.57 122.88 3k1f h LYS 28 Ca 0.00 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 3k1f h LYS 28 Cb 1.05 0.13 -0.23 0.00 -0.41 0.00 0.00 32.23 32.77 3k1f h LYS 28 CO 1.02 1.11 -0.08 0.71 -2.27 0.00 0.00 179.45 179.94 3k1f s TYR 29 N -2.65 -0.64 -0.03 1.91 1.51 -1.26 -4.70 117.35 111.49 3k1f s TYR 29 Ca -0.05 1.51 0.01 0.00 -1.01 0.00 0.00 57.07 57.54 3k1f s TYR 29 Cb 0.08 0.24 0.02 0.00 -0.11 0.00 0.00 41.96 42.18 3k1f s TYR 29 CO 0.86 -0.31 -0.04 0.42 -1.11 0.00 0.00 175.55 175.37 3k1f s ILE 30 N 0.46 0.44 0.74 2.71 1.01 -0.19 0.39 121.20 126.75 3k1f s ILE 30 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 3k1f s ILE 30 Cb -0.04 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 42.00 3k1f s ILE 30 CO -0.02 0.19 1.08 0.00 0.00 0.00 0.00 174.94 176.19 3k1f h ALA 32 N -0.93 0.26 0.09 0.00 0.00 -1.94 -3.26 119.26 113.48 3k1f h ALA 32 Ca -0.45 -1.18 -0.00 0.00 0.00 0.00 0.00 54.91 53.28 3k1f h ALA 32 Cb 1.23 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3k1f h ALA 32 CO 0.56 0.79 -0.04 0.93 0.00 0.00 0.00 179.25 181.49 3k1f h GLU 33 N -0.67 -0.11 0.00 0.00 3.07 -1.99 -3.33 114.58 111.55 3k1f h GLU 33 Ca -0.33 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3k1f h GLU 33 Cb 1.51 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 3k1f h GLU 33 CO -0.09 -0.07 0.00 0.00 -1.40 0.00 0.00 179.01 177.44 3k1f n SER 35 N -2.99 -5.06 -4.90 0.00 7.64 -1.23 -4.99 113.62 102.09 3k1f n SER 35 Ca -0.00 0.29 -0.32 0.00 1.01 0.00 0.00 58.87 59.85 3k1f n SER 35 Cb 0.23 -4.40 -0.05 0.00 -1.01 0.00 0.00 64.21 58.99 3k1f n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3k1f s SER 36 N -2.35 6.43 -0.05 6.43 1.04 -1.26 -4.79 113.70 119.15 3k1f s SER 36 Ca 0.00 0.45 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 3k1f s SER 36 Cb 0.00 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 3k1f s SER 36 CO 0.00 0.15 1.44 -0.54 0.98 0.00 0.00 173.24 175.28 3k1f s LYS 37 N -2.36 4.24 -0.07 4.02 1.02 -1.26 -2.50 119.74 122.84 3k1f s LYS 37 Ca 0.35 1.97 -0.12 0.00 0.02 0.00 0.00 55.97 58.18 3k1f s LYS 37 Cb -0.13 -3.72 -0.29 0.00 -0.52 0.00 0.00 37.83 33.17 3k1f s LYS 37 CO 0.24 -0.68 0.62 1.25 -0.92 0.00 0.00 175.35 175.86 3k1f h LEU 38 N 9.13 0.53 -1.31 3.17 5.85 -0.44 -3.49 115.31 128.75 3k1f h LEU 38 Ca -0.36 -0.91 -0.57 0.00 0.84 0.00 0.00 57.88 56.88 3k1f h LEU 38 Cb 1.16 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.79 3k1f h LEU 38 CO 0.93 1.74 -0.87 -0.24 -0.34 0.00 0.00 178.44 179.66 3k1f n SER 39 N -3.70 -2.25 -4.85 1.25 2.88 -1.13 -4.91 113.62 100.92 3k1f n SER 39 Ca -0.25 -1.09 -0.37 0.00 -1.33 0.00 0.00 58.87 55.83 3k1f n SER 39 Cb 1.02 -2.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.00 3k1f n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3k1f s LEU 40 N -7.24 4.44 0.00 2.46 1.43 -1.26 -4.89 118.68 113.62 3k1f s LEU 40 Ca 0.61 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3k1f s LEU 40 Cb -0.34 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3k1f s LEU 40 CO 0.95 0.29 0.00 -1.20 0.23 0.00 0.00 176.35 176.62 3k1f n SER 41 N 1.58 -0.13 -4.74 2.29 7.64 -1.26 -4.87 113.62 114.13 3k1f n SER 41 Ca -0.13 -0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.00 3k1f n SER 41 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3k1f n SER 41 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3k1f s ARG 42 N -1.20 4.34 -0.40 1.43 0.52 -1.26 -4.30 118.95 118.08 3k1f s ARG 42 Ca 0.00 2.15 -0.14 0.00 -0.52 0.00 0.00 55.73 57.21 3k1f s ARG 42 Cb 0.00 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.32 3k1f s ARG 42 CO 0.00 -0.32 0.48 2.41 0.02 0.00 0.00 175.30 177.89 3k1f n THR 43 N 2.61-10.75 -1.43 0.02 -1.04 -1.26 -5.01 114.28 97.41 3k1f n THR 43 Ca 0.07 1.02 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 3k1f n THR 43 Cb 0.42 -6.96 0.00 0.00 -1.82 0.00 0.00 70.33 61.97 3k1f n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3k1f n ASP 44 N -0.08 0.00 -2.08 8.00 8.00 -1.26 -5.12 116.55 124.01 3k1f n ASP 44 Ca 0.08 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3k1f n ASP 44 Cb 0.39 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3k1f n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1f n ALA 45 N 0.00 -2.16 -1.41 2.24 0.00 -1.26 -4.79 120.51 113.13 3k1f n ALA 45 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 3k1f n ALA 45 Cb 0.57 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 3k1f n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k1f n VAL 46 N 1.60 0.17 -3.62 0.00 0.31 -1.26 -4.81 118.33 110.72 3k1f n VAL 46 Ca 0.00 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 3k1f n VAL 46 Cb 0.00 -2.02 -0.07 0.00 -0.91 0.00 0.00 33.84 30.84 3k1f n VAL 46 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3k1f s ARG 47 N 8.07 0.84 0.31 5.55 3.52 -1.26 -4.74 118.95 131.24 3k1f s ARG 47 Ca 0.78 0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.68 3k1f s ARG 47 Cb -0.01 0.40 -0.10 0.00 -1.56 0.00 0.00 34.95 33.68 3k1f s ARG 47 CO 0.21 -0.17 1.35 0.00 -0.81 0.00 0.00 175.30 175.88 3k1f n LYS 49 N 1.14 1.72 0.00 0.00 4.76 -1.26 -3.65 118.16 120.86 3k1f n LYS 49 Ca 0.02 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.78 3k1f n LYS 49 Cb 0.41 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 3k1f n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3k1f n ASP 50 N 0.09 0.00 -4.48 4.39 9.92 -1.26 -5.12 116.55 120.09 3k1f n ASP 50 Ca 0.06 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.04 3k1f n ASP 50 Cb 0.36 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.73 3k1f n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k1f h GLY 52 N 3.36 0.00 -4.15 0.00 0.00 -2.00 -3.25 103.07 97.03 3k1f h GLY 52 Ca -0.48 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.33 3k1f h GLY 52 CO 0.48 0.00 0.65 0.30 0.00 0.00 0.00 176.54 177.97 3k1f s HIS 53 N -3.19 3.22 -0.99 5.60 3.76 -1.26 -4.82 115.29 117.61 3k1f s HIS 53 Ca 0.04 1.26 0.26 0.00 -0.15 0.00 0.00 55.06 56.46 3k1f s HIS 53 Cb 0.08 -3.62 0.62 0.00 1.11 0.00 0.00 32.58 30.76 3k1f s HIS 53 CO 0.70 -1.88 1.50 0.54 -0.85 0.00 0.00 174.74 174.74 3k1f n ARG 54 N 2.21 0.01 0.00 1.40 3.00 -1.26 -3.69 116.66 118.33 3k1f n ARG 54 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 3k1f n ARG 54 Cb 0.42 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.38 3k1f n ARG 54 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3k1f n ILE 55 N -1.52 0.00 -1.92 0.55 -0.00 -1.26 -4.71 119.36 110.49 3k1f n ILE 55 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.81 3k1f n ILE 55 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.98 3k1f n ILE 55 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3k1f n LEU 56 N -0.21 -6.36 -4.55 7.28 4.77 -1.26 -5.01 117.00 111.66 3k1f n LEU 56 Ca 0.00 3.27 -0.24 0.00 -0.03 0.00 0.00 56.01 59.01 3k1f n LEU 56 Cb 0.00 -3.15 -0.09 0.00 -2.33 0.00 0.00 43.42 37.85 3k1f n LEU 56 CO 0.00 -0.95 -0.40 -0.76 -1.33 0.00 0.00 177.39 173.95 3k1f s LEU 57 N -1.60 2.83 0.00 2.23 1.43 0.12 -4.98 118.68 118.71 3k1f s LEU 57 Ca 0.00 -0.92 0.24 0.00 -1.03 0.00 0.00 54.13 52.42 3k1f s LEU 57 Cb 0.00 -1.31 0.33 0.00 0.03 0.00 0.00 46.19 45.24 3k1f s LEU 57 CO 0.00 -0.02 1.29 1.17 0.23 0.00 0.00 176.35 179.02 3k1f n LYS 58 N -0.76 0.23 -1.22 1.70 0.00 -1.26 -1.02 118.16 115.83 3k1f n LYS 58 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.10 3k1f n LYS 58 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.14 3k1f n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k1f n ALA 59 N -1.25 -1.70 -1.52 3.14 0.00 -1.26 -4.42 120.51 113.51 3k1f n ALA 59 Ca 0.07 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.42 3k1f n ALA 59 Cb 0.35 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3k1f n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3k1f n ARG 60 N -1.81 0.86 -2.52 0.00 0.63 -1.26 -4.96 116.66 107.60 3k1f n ARG 60 Ca 0.00 0.31 -0.35 0.00 -0.92 0.00 0.00 57.85 56.88 3k1f n ARG 60 Cb 0.23 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 31.53 3k1f n ARG 60 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3k1f s THR 61 N -1.13 3.70 0.14 5.15 2.01 -1.26 -4.92 115.64 119.34 3k1f s THR 61 Ca 0.61 1.19 0.25 0.00 0.31 0.00 0.00 61.69 64.05 3k1f s THR 61 Cb -0.74 -3.56 0.26 0.00 0.01 0.00 0.00 72.50 68.47 3k1f s THR 61 CO 0.59 -0.10 1.86 0.11 -0.69 0.00 0.00 174.62 176.38 3k1f h LYS 62 N 2.04 0.00 -6.36 4.92 6.56 -1.98 -3.45 116.57 118.29 3k1f h LYS 62 Ca -0.49 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.47 3k1f h LYS 62 Cb 1.22 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.92 3k1f h LYS 62 CO 0.61 0.19 0.81 0.54 -2.06 0.00 0.00 179.45 179.54 3k1f n ARG 63 N -3.37 1.84 -2.72 3.15 1.74 -1.26 -4.92 116.66 111.12 3k1f n ARG 63 Ca 0.00 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 3k1f n ARG 63 Cb 0.41 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 3k1f n ARG 63 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k1f s LEU 64 N 1.84 3.94 0.02 0.55 1.43 -1.26 -5.01 118.68 120.19 3k1f s LEU 64 Ca 0.85 -1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3k1f s LEU 64 Cb -0.78 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3k1f s LEU 64 CO 0.46 -1.52 0.98 0.68 0.23 0.00 0.00 176.35 177.18 3k1f s VAL 65 N 4.54 4.80 -0.58 -1.59 -7.23 -1.26 -5.02 120.40 114.05 3k1f s VAL 65 Ca 0.32 2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 62.33 3k1f s VAL 65 Cb -0.09 -4.31 0.08 0.00 0.56 0.00 0.00 36.38 32.62 3k1f s VAL 65 CO 0.05 0.18 0.76 -1.58 -0.31 0.00 0.00 175.10 174.20 3k1f s GLN 66 N 0.88 3.10 -0.08 4.82 0.74 -1.26 -5.05 119.66 122.81 3k1f s GLN 66 Ca 0.52 -1.03 -0.15 0.00 0.05 0.00 0.00 55.36 54.74 3k1f s GLN 66 Cb -0.22 -4.20 -0.05 0.00 1.10 0.00 0.00 33.01 29.64 3k1f s GLN 66 CO 0.28 -1.52 0.39 -0.06 -0.55 0.00 0.00 175.29 173.84 3k1f s PHE 67 N 3.06 3.59 0.06 1.67 0.40 -1.26 -5.07 117.98 120.44 3k1f s PHE 67 Ca 0.16 0.85 -0.31 0.00 -0.60 0.00 0.00 56.93 57.03 3k1f s PHE 67 Cb -0.21 -2.37 -0.06 0.00 0.51 0.00 0.00 43.02 40.89 3k1f s PHE 67 CO 0.09 0.40 1.25 -1.83 0.70 0.00 0.00 175.22 175.83 3k1f s GLU 68 N -0.17 4.40 -0.21 0.44 4.04 -1.26 -4.93 118.70 121.01 3k1f s GLU 68 Ca 0.22 1.83 -0.02 0.00 0.04 0.00 0.00 54.97 57.05 3k1f s GLU 68 Cb -0.15 -3.36 0.07 0.00 0.02 0.00 0.00 34.13 30.72 3k1f s GLU 68 CO 0.10 -0.33 2.31 0.00 -1.84 0.00 0.00 175.26 175.50 3k1f n ALA 69 N 4.11 5.12 -0.20 -0.84 0.00 -1.26 -5.35 120.51 122.09 3k1f n ALA 69 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3k1f n ALA 69 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3k1f n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04