#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s GLY 2 N 0.00 2.90 0.00 3.41 0.00 -1.26 -4.94 107.32 107.43 3i56 s GLY 2 Ca 0.00 0.79 0.26 0.00 0.00 0.00 0.00 44.72 45.77 3i56 s GLY 2 CO 0.00 1.31 1.89 0.00 0.00 0.00 0.00 173.10 176.29 3i56 n ALA 3 N 0.55 2.31 -1.52 3.20 0.00 -1.26 -3.34 120.51 120.45 3i56 n ALA 3 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i56 n ALA 3 Cb 0.47 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i56 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 4 N 0.93 0.64 0.28 0.00 0.00 -1.26 -4.58 105.19 101.21 3i56 n GLY 4 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i56 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i56 h THR 5 N 0.00 0.26 0.00 2.61 2.02 -2.01 -0.70 112.91 115.09 3i56 h THR 5 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i56 h THR 5 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3i56 h THR 5 CO 0.00 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.44 3i56 h PRO 6 N -0.02 0.00 -0.00 6.66 0.13 -1.91 -1.77 132.00 135.10 3i56 h PRO 6 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 3i56 h PRO 6 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3i56 h PRO 6 CO -0.74 0.00 -0.30 0.43 -0.23 0.00 0.00 178.00 177.16 3i56 n SER 7 N -2.84 0.36 0.18 1.44 7.64 -0.28 -3.58 113.62 116.54 3i56 n SER 7 Ca 0.00 -0.07 0.07 0.00 1.01 0.00 0.00 58.87 59.88 3i56 n SER 7 Cb 0.23 -0.02 0.15 0.00 -1.01 0.00 0.00 64.21 63.57 3i56 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i56 h GLN 8 N 0.10 0.00 0.00 1.43 1.08 -1.16 -3.29 115.11 113.27 3i56 h GLN 8 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3i56 h GLN 8 Cb 0.49 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3i56 h GLN 8 CO 0.00 0.31 -0.05 0.78 -0.95 0.00 0.00 178.83 178.93 3i56 h GLY 9 N 3.34 0.00 2.00 3.46 0.00 -1.65 -2.66 103.07 107.56 3i56 h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i56 h GLY 9 CO 0.04 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.08 3i56 h LYS 10 N 0.00 0.00 -4.76 4.80 1.57 -1.80 -3.43 116.57 112.95 3i56 h LYS 10 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3i56 h LYS 10 Cb 0.35 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.70 3i56 h LYS 10 CO 0.01 0.00 1.85 1.63 -0.57 0.00 0.00 179.45 182.37 3i56 n LYS 11 N -2.40 1.23 -0.66 3.15 5.02 -1.00 -4.59 118.16 118.91 3i56 n LYS 11 Ca 0.05 -1.81 0.06 0.00 -2.02 0.00 0.00 58.31 54.59 3i56 n LYS 11 Cb 0.44 -3.03 0.13 0.00 -0.02 0.00 0.00 35.03 32.56 3i56 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3i56 n ASN 12 N 9.38 1.54 -4.86 4.39 6.94 -1.26 -5.04 115.26 126.35 3i56 n ASN 12 Ca 0.48 -3.15 -0.37 0.00 -0.02 0.00 0.00 54.58 51.52 3i56 n ASN 12 Cb 0.42 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 3i56 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3i56 s THR 13 N -2.18 5.21 -0.25 5.53 2.01 -1.26 -5.07 115.64 119.63 3i56 s THR 13 Ca 0.32 0.57 -0.10 0.00 0.31 0.00 0.00 61.69 62.79 3i56 s THR 13 Cb 0.32 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3i56 s THR 13 CO -0.06 0.56 0.16 -0.89 -0.69 0.00 0.00 174.62 173.70 3i56 s THR 14 N -1.09 5.26 0.00 -0.82 2.01 -1.26 -4.95 115.64 114.79 3i56 s THR 14 Ca 0.22 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3i56 s THR 14 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3i56 s THR 14 CO 0.11 0.32 0.00 0.35 -0.69 0.00 0.00 174.62 174.71 3i56 n THR 15 N 4.50 0.00 -2.67 -0.82 -2.24 -1.26 -4.77 114.28 107.02 3i56 n THR 15 Ca -0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 3i56 n THR 15 Cb 0.52 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 3i56 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i56 s HIS 16 N -0.57 3.35 0.36 4.78 3.76 -1.26 -0.17 115.29 125.54 3i56 s HIS 16 Ca 0.00 1.47 0.05 0.00 -0.15 0.00 0.00 55.06 56.42 3i56 s HIS 16 Cb 0.00 -3.26 -0.07 0.00 1.11 0.00 0.00 32.58 30.36 3i56 s HIS 16 CO 0.00 -0.46 0.04 0.95 -0.85 0.00 0.00 174.74 174.42 3i56 s THR 17 N 3.13 1.42 0.20 1.30 -4.23 0.20 -4.78 115.64 112.88 3i56 s THR 17 Ca 0.44 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.63 3i56 s THR 17 Cb -0.15 -2.84 -0.12 0.00 1.34 0.00 0.00 72.50 70.73 3i56 s THR 17 CO 0.07 0.00 1.73 1.17 -0.54 0.00 0.00 174.62 177.05 3i56 n LYS 18 N -0.79 2.76 -2.98 3.99 4.81 -1.26 -0.64 118.16 124.05 3i56 n LYS 18 Ca -0.03 1.00 -0.40 0.00 -0.87 0.00 0.00 58.31 58.00 3i56 n LYS 18 Cb 0.67 -2.84 -0.05 0.00 0.02 0.00 0.00 35.03 32.82 3i56 n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i56 h ARG 20 N 5.60 0.31 0.08 0.00 2.43 -1.92 -1.39 114.38 119.49 3i56 h ARG 20 Ca -0.44 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 58.40 3i56 h ARG 20 Cb 1.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3i56 h ARG 20 CO 0.71 0.36 -1.45 -0.09 -1.51 0.00 0.00 179.97 177.99 3i56 h ARG 21 N 0.30 0.18 0.00 0.20 2.43 -1.98 -3.43 114.38 112.08 3i56 h ARG 21 Ca 0.07 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3i56 h ARG 21 Cb 0.26 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3i56 h ARG 21 CO 0.01 1.15 -1.23 0.00 -1.51 0.00 0.00 179.97 178.39 3i56 n GLY 23 N 1.94 0.74 3.88 0.00 0.00 -0.52 -4.99 105.19 106.23 3i56 n GLY 23 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3i56 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 24 N -0.42 3.70 -1.54 1.61 0.41 -1.26 -4.60 118.70 116.60 3i56 s GLU 24 Ca 0.00 0.08 -0.11 0.00 -0.41 0.00 0.00 54.97 54.52 3i56 s GLU 24 Cb 0.00 -2.87 -0.05 0.00 -1.78 0.00 0.00 34.13 29.43 3i56 s GLU 24 CO 0.00 0.47 2.71 1.17 -0.49 0.00 0.00 175.26 179.13 3i56 n LYS 25 N 0.35 3.38 0.00 1.61 4.81 -1.26 -0.54 118.16 126.50 3i56 n LYS 25 Ca -0.04 -2.28 0.00 0.00 -0.87 0.00 0.00 58.31 55.12 3i56 n LYS 25 Cb 0.52 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.64 3i56 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i56 n SER 26 N 4.37 0.65 -4.59 3.14 7.64 -0.96 -4.41 113.62 119.47 3i56 n SER 26 Ca 0.70 -1.17 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 3i56 n SER 26 Cb 0.27 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 3i56 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3i56 s TYR 27 N -0.17 2.80 -0.54 1.43 5.04 0.19 -1.16 117.35 124.94 3i56 s TYR 27 Ca 0.00 0.56 -0.28 0.00 -2.44 0.00 0.00 57.07 54.91 3i56 s TYR 27 Cb 0.00 -4.34 0.01 0.00 0.35 0.00 0.00 41.96 37.98 3i56 s TYR 27 CO 0.00 -1.29 1.44 -1.58 -1.34 0.00 0.00 175.55 172.78 3i56 s HIS 28 N 4.37 2.26 -0.54 4.97 5.65 0.03 0.61 115.29 132.65 3i56 s HIS 28 Ca 0.44 0.51 0.18 0.00 0.25 0.00 0.00 55.06 56.44 3i56 s HIS 28 Cb -0.08 -4.37 0.84 0.00 -1.18 0.00 0.00 32.58 27.80 3i56 s HIS 28 CO 0.29 -2.01 1.55 -2.37 -0.65 0.00 0.00 174.74 171.55 3i56 n THR 29 N 6.91 1.11 -0.03 0.89 5.66 0.76 0.13 114.28 129.70 3i56 n THR 29 Ca 0.13 0.45 -0.15 0.00 -3.05 0.00 0.00 64.05 61.43 3i56 n THR 29 Cb 0.49 -1.39 -0.14 0.00 -1.55 0.00 0.00 70.33 67.74 3i56 n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3i56 n LYS 30 N -2.03 0.69 0.04 1.09 4.76 -1.26 -4.35 118.16 117.11 3i56 n LYS 30 Ca 0.01 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.79 3i56 n LYS 30 Cb 0.12 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 3i56 n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i56 n LYS 31 N -3.21 0.46 -3.51 1.97 5.02 -0.81 -4.99 118.16 113.08 3i56 n LYS 31 Ca -0.29 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.75 3i56 n LYS 31 Cb 1.06 -1.66 0.04 0.00 -0.02 0.00 0.00 35.03 34.45 3i56 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i56 n LYS 32 N -2.25 -5.83 -4.18 1.97 4.76 0.34 -5.00 118.16 107.96 3i56 n LYS 32 Ca 0.00 0.74 -0.16 0.00 -2.87 0.00 0.00 58.31 56.02 3i56 n LYS 32 Cb 0.50 -5.65 -0.14 0.00 -1.84 0.00 0.00 35.03 27.89 3i56 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i56 s VAL 33 N -3.22 0.46 -0.17 -0.18 1.01 -1.20 -4.43 120.40 112.65 3i56 s VAL 33 Ca 0.51 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 3i56 s VAL 33 Cb -0.24 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3i56 s VAL 33 CO 0.63 0.11 0.49 0.00 0.00 0.00 0.00 175.10 176.34 3i56 n SER 35 N 4.37 0.64 -0.12 0.00 3.41 -0.31 -1.59 113.62 120.01 3i56 n SER 35 Ca -0.06 0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 58.89 3i56 n SER 35 Cb 0.51 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 3i56 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i56 n SER 36 N -2.13 1.93 -0.00 4.04 2.88 -1.26 -4.74 113.62 114.34 3i56 n SER 36 Ca 0.05 0.37 0.07 0.00 -1.33 0.00 0.00 58.87 58.02 3i56 n SER 36 Cb 0.35 -0.84 -0.09 0.00 -0.75 0.00 0.00 64.21 62.89 3i56 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i56 n GLY 38 N 1.38 0.58 3.68 0.00 0.00 -0.62 -0.87 105.19 109.33 3i56 n GLY 38 Ca 0.02 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3i56 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i56 s PHE 39 N -2.09 2.21 0.00 1.61 5.36 -1.26 -1.09 117.98 122.71 3i56 s PHE 39 Ca 0.00 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 3i56 s PHE 39 Cb 0.00 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 3i56 s PHE 39 CO 0.00 -3.84 0.00 0.41 -1.46 0.00 0.00 175.22 170.33 3i56 n GLY 40 N 4.05 1.59 0.11 13.12 0.00 -1.26 -1.10 105.19 121.70 3i56 n GLY 40 Ca 0.16 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3i56 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i56 n LYS 41 N 0.00 0.55 -4.24 1.61 4.81 -0.62 -4.93 118.16 115.34 3i56 n LYS 41 Ca 0.00 0.35 -0.18 0.00 -0.87 0.00 0.00 58.31 57.61 3i56 n LYS 41 Cb 0.00 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.38 3i56 n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3i56 s SER 42 N -6.71 1.97 0.14 3.14 1.04 -0.25 -5.02 113.70 108.01 3i56 s SER 42 Ca -0.31 -0.80 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 3i56 s SER 42 Cb 0.08 -0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.07 3i56 s SER 42 CO 0.46 -0.14 1.32 0.00 0.98 0.00 0.00 173.24 175.86 3i56 h ALA 43 N 3.57 0.42 -2.44 5.32 0.00 -1.96 -3.41 119.26 120.76 3i56 h ALA 43 Ca -0.40 -0.74 -0.48 0.00 0.00 0.00 0.00 54.91 53.29 3i56 h ALA 43 Cb 1.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i56 h ALA 43 CO 0.50 0.90 0.30 0.15 0.00 0.00 0.00 179.25 181.09 3i56 s LYS 44 N -3.15 4.50 0.27 0.00 1.02 -1.26 -5.02 119.74 116.10 3i56 s LYS 44 Ca -0.04 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.88 3i56 s LYS 44 Cb 0.09 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 3i56 s LYS 44 CO 0.85 0.28 1.32 1.03 -0.92 0.00 0.00 175.35 177.91 3i56 s ARG 45 N -2.11 4.37 -0.05 1.68 1.81 -1.26 -4.89 118.95 118.49 3i56 s ARG 45 Ca 0.49 2.16 -0.30 0.00 -1.72 0.00 0.00 55.73 56.36 3i56 s ARG 45 Cb -0.18 -3.12 -0.05 0.00 -0.45 0.00 0.00 34.95 31.15 3i56 s ARG 45 CO 0.23 -0.22 1.58 0.50 -0.68 0.00 0.00 175.30 176.70 3i56 s ARG 46 N -1.03 4.20 -0.20 3.54 3.52 -0.05 -4.97 118.95 123.97 3i56 s ARG 46 Ca 0.53 2.11 -0.18 0.00 -0.13 0.00 0.00 55.73 58.05 3i56 s ARG 46 Cb -0.39 -3.88 0.05 0.00 -1.56 0.00 0.00 34.95 29.17 3i56 s ARG 46 CO 0.46 -0.79 0.53 0.34 -0.81 0.00 0.00 175.30 175.03 3i56 s ASP 47 N 2.93 -0.55 0.03 -2.12 -1.08 -1.26 -4.76 116.67 109.86 3i56 s ASP 47 Ca 0.70 1.06 0.01 0.00 -0.52 0.00 0.00 52.55 53.80 3i56 s ASP 47 Cb -0.32 1.07 -0.02 0.00 -1.46 0.00 0.00 42.92 42.19 3i56 s ASP 47 CO 0.27 -0.19 -0.06 -0.31 0.52 0.00 0.00 175.17 175.41 3i56 s TYR 48 N 0.26 0.52 -1.02 -5.34 1.51 -1.26 -5.05 117.35 106.97 3i56 s TYR 48 Ca -0.00 -0.46 0.19 0.00 -1.01 0.00 0.00 57.07 55.78 3i56 s TYR 48 Cb -0.04 -0.32 0.80 0.00 -0.11 0.00 0.00 41.96 42.29 3i56 s TYR 48 CO 0.01 -0.11 1.60 0.39 -1.11 0.00 0.00 175.55 176.33 3i56 n GLU 49 N 1.65 0.01 0.00 -0.62 -0.58 -1.26 -2.79 120.64 117.05 3i56 n GLU 49 Ca -0.22 0.18 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 3i56 n GLU 49 Cb 0.55 -1.50 0.56 0.00 -0.57 0.00 0.00 31.44 30.48 3i56 n GLU 49 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3i56 n TRP 50 N -1.49 0.00 0.63 -0.32 4.27 -1.26 -3.75 117.44 115.52 3i56 n TRP 50 Ca 0.05 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.75 3i56 n TRP 50 Cb 0.22 -0.05 0.42 0.00 -1.36 0.00 0.00 31.31 30.54 3i56 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3i56 n GLN 51 N -0.26 0.04 -4.11 -2.67 6.02 -1.12 -4.72 117.38 110.57 3i56 n GLN 51 Ca 0.18 0.20 -0.08 0.00 -0.01 0.00 0.00 57.00 57.29 3i56 n GLN 51 Cb 0.32 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 29.92 3i56 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i56 s SER 52 N -3.23 0.40 0.66 1.08 1.04 -1.25 -5.14 113.70 107.26 3i56 s SER 52 Ca 0.09 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.26 3i56 s SER 52 Cb 0.12 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3i56 s SER 52 CO 0.37 -0.66 1.29 -0.54 0.98 0.00 0.00 173.24 174.68 3i56 s LYS 53 N -3.98 2.50 0.29 4.02 -0.14 -1.26 -4.90 119.74 116.27 3i56 s LYS 53 Ca 0.15 2.05 0.04 0.00 -1.36 0.00 0.00 55.97 56.84 3i56 s LYS 53 Cb 0.08 -1.84 0.70 0.00 -1.68 0.00 0.00 37.83 35.09 3i56 s LYS 53 CO -0.05 -1.63 1.74 0.00 -0.76 0.00 0.00 175.35 174.65 3i56 h ALA 54 N 0.47 1.50 -0.53 5.17 0.00 -1.96 -0.94 119.26 122.97 3i56 h ALA 54 Ca -0.51 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3i56 h ALA 54 Cb 1.34 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 3i56 h ALA 54 CO 0.53 -0.19 0.17 0.41 0.00 0.00 0.00 179.25 180.16 3i56 n GLY 55 N -1.33 3.03 0.00 0.00 0.00 -1.26 -5.16 105.19 100.48 3i56 n GLY 55 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i56 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11