#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tus n ALA 2 N 0.00 -2.98 -2.71 1.96 0.00 -1.26 -5.03 120.51 110.49 1tus n ALA 2 Ca 0.00 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.42 1tus n ALA 2 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 19.45 16.10 1tus n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tus n ALA 3 N -0.41 -2.75 -1.70 0.00 0.00 -1.26 -5.07 120.51 109.31 1tus n ALA 3 Ca 0.10 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.77 1tus n ALA 3 Cb 0.43 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 17.39 1tus n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tus s VAL 4 N 0.71 3.13 0.25 0.00 0.11 -1.26 -4.81 120.40 118.53 1tus s VAL 4 Ca 0.28 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1tus s VAL 4 Cb 0.13 -3.82 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 1tus s VAL 4 CO -0.11 -0.25 0.28 -1.54 -3.33 0.00 0.00 175.10 170.14 1tus n SER 5 N 18.25 -0.74 -3.78 3.54 3.41 -1.26 -4.80 113.62 128.23 1tus n SER 5 Ca 0.43 -2.51 -0.23 0.00 -0.26 0.00 0.00 58.87 56.31 1tus n SER 5 Cb 0.46 1.52 -0.17 0.00 -0.26 0.00 0.00 64.21 65.75 1tus n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tus s VAL 6 N -2.86 0.43 -1.21 -3.33 1.01 -1.26 -5.05 120.40 108.13 1tus s VAL 6 Ca 0.26 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 1tus s VAL 6 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1tus s VAL 6 CO 0.18 0.27 1.87 -0.62 0.00 0.00 0.00 175.10 176.80 1tus s ASP 7 N 1.92 5.57 -0.65 3.32 -1.08 -1.26 -4.72 116.67 119.77 1tus s ASP 7 Ca 0.05 -1.85 -0.01 0.00 -0.52 0.00 0.00 52.55 50.21 1tus s ASP 7 Cb -0.12 -2.59 0.43 0.00 -1.46 0.00 0.00 42.92 39.18 1tus s ASP 7 CO -0.05 -2.51 1.91 0.00 0.52 0.00 0.00 175.17 175.04 1tus n SER 9 N -0.81 7.78 0.00 0.00 7.64 -1.26 -3.08 113.62 123.89 1tus n SER 9 Ca 0.58 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1tus n SER 9 Cb 0.62 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1tus n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1tus n GLU 10 N 1.13 0.00 -0.70 1.43 2.13 -1.26 -5.13 120.64 118.24 1tus n GLU 10 Ca 0.57 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 58.08 1tus n GLU 10 Cb 0.26 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.13 1tus n GLU 10 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1tus n TYR 11 N -0.07 0.21 -2.92 4.31 4.02 -1.18 -4.64 117.16 116.89 1tus n TYR 11 Ca 0.00 0.34 -0.40 0.00 -0.01 0.00 0.00 57.90 57.84 1tus n TYR 11 Cb 0.00 -1.94 -0.06 0.00 -0.02 0.00 0.00 39.34 37.32 1tus n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1tus s PRO 12 N -4.38 4.64 0.44 -0.72 0.04 -1.26 -4.90 135.00 128.87 1tus s PRO 12 Ca 0.64 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.72 1tus s PRO 12 Cb -0.23 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 30.94 1tus s PRO 12 CO 0.61 0.56 0.97 0.21 0.04 0.00 0.00 177.00 179.38 1tus s LYS 13 N -1.15 4.13 0.41 4.56 2.20 -1.26 -4.97 119.74 123.67 1tus s LYS 13 Ca 0.37 1.18 0.22 0.00 -0.36 0.00 0.00 55.97 57.38 1tus s LYS 13 Cb -0.24 -2.16 0.43 0.00 -1.51 0.00 0.00 37.83 34.34 1tus s LYS 13 CO 0.28 -0.12 1.63 -1.00 -0.36 0.00 0.00 175.35 175.77 1tus h PRO 14 N 1.84 0.00 -4.31 4.03 0.14 -1.99 -3.44 132.00 128.26 1tus h PRO 14 Ca -0.49 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.13 1tus h PRO 14 Cb 1.19 0.00 -0.36 0.00 0.14 0.00 0.00 31.00 31.97 1tus h PRO 14 CO 0.61 0.14 -0.80 0.00 0.14 0.00 0.00 178.00 178.08 1tus s ALA 15 N -3.23 1.27 1.00 -0.56 0.00 -1.26 -5.13 121.76 113.85 1tus s ALA 15 Ca 0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1tus s ALA 15 Cb 0.06 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1tus s ALA 15 CO 0.67 -0.23 0.09 0.00 0.00 0.00 0.00 175.76 176.29 1tus n THR 17 N -2.12 0.00 0.00 0.00 5.66 -1.26 -5.02 114.28 111.54 1tus n THR 17 Ca 0.01 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1tus n THR 17 Cb 0.04 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1tus n THR 17 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1tus n LEU 18 N 0.19 1.55 -4.96 1.09 0.00 -1.26 -4.90 117.00 108.70 1tus n LEU 18 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.75 1tus n LEU 18 Cb 0.84 0.00 0.08 0.00 0.00 0.00 0.00 43.42 44.34 1tus n LEU 18 CO -0.04 0.26 0.54 -0.70 0.00 0.00 0.00 177.39 177.46 1tus s GLU 19 N -1.86 2.03 0.40 1.96 2.12 -1.26 -5.22 118.70 116.88 1tus s GLU 19 Ca 0.00 -0.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 1tus s GLU 19 Cb 0.00 -2.29 -0.08 0.00 0.26 0.00 0.00 34.13 32.02 1tus s GLU 19 CO 0.00 -1.23 1.14 -0.47 -0.54 0.00 0.00 175.26 174.16 1tus s TYR 20 N -3.12 3.11 0.00 5.30 6.14 -1.26 -4.36 117.35 123.16 1tus s TYR 20 Ca 0.62 1.58 0.00 0.00 0.64 0.00 0.00 57.07 59.91 1tus s TYR 20 Cb -0.09 -3.33 0.00 0.00 0.42 0.00 0.00 41.96 38.97 1tus s TYR 20 CO 0.43 -1.15 0.00 2.89 0.64 0.00 0.00 175.55 178.36 1tus n ARG 21 N 0.02 0.00 -2.89 4.97 -4.01 -0.97 -5.03 116.66 108.75 1tus n ARG 21 Ca 0.05 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.45 1tus n ARG 21 Cb 0.47 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.85 1tus n ARG 21 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1tus s PRO 22 N -0.35 4.56 0.01 2.89 0.04 -1.25 -3.99 135.00 136.91 1tus s PRO 22 Ca 0.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1tus s PRO 22 Cb 0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1tus s PRO 22 CO 0.00 0.24 0.00 1.28 0.04 0.00 0.00 177.00 178.56 1tus n LEU 23 N 2.88 0.00 -3.71 -3.56 4.77 -0.85 -1.84 117.00 114.69 1tus n LEU 23 Ca -0.01 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1tus n LEU 23 Cb 0.50 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1tus n LEU 23 CO 0.49 -0.13 -0.34 0.00 -1.33 0.00 0.00 177.39 176.07 1tus s GLY 25 N 1.75 2.18 -0.56 0.00 0.00 -0.35 -1.61 107.32 108.73 1tus s GLY 25 Ca 0.06 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 1tus s GLY 25 CO -0.22 1.14 2.07 -1.14 0.00 0.00 0.00 173.10 174.95 1tus n SER 26 N -2.93 7.25 -1.24 1.64 3.41 -0.72 -3.69 113.62 117.33 1tus n SER 26 Ca 0.12 -3.54 0.05 0.00 -0.26 0.00 0.00 58.87 55.24 1tus n SER 26 Cb 0.51 -1.03 0.28 0.00 -0.26 0.00 0.00 64.21 63.71 1tus n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1tus n ASP 27 N -0.40 4.13 0.00 4.04 5.75 -1.26 -4.83 116.55 123.97 1tus n ASP 27 Ca 0.51 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1tus n ASP 27 Cb 0.59 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1tus n ASP 27 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1tus n ASN 28 N -0.38 0.00 -4.79 -1.12 2.04 -1.26 -5.02 115.26 104.73 1tus n ASN 28 Ca 0.27 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 54.05 1tus n ASN 28 Cb 1.04 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 38.21 1tus n ASN 28 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1tus s LYS 29 N -0.54 3.70 0.01 -3.83 1.02 -1.24 -5.01 119.74 113.85 1tus s LYS 29 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 1tus s LYS 29 Cb 0.00 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1tus s LYS 29 CO 0.00 0.57 1.00 0.99 -0.92 0.00 0.00 175.35 176.99 1tus s THR 30 N -0.42 4.79 -0.24 2.17 2.01 -1.26 -1.21 115.64 121.48 1tus s THR 30 Ca 0.11 2.00 -0.09 0.00 0.31 0.00 0.00 61.69 64.02 1tus s THR 30 Cb -0.12 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1tus s THR 30 CO 0.02 0.16 0.13 -0.31 -0.69 0.00 0.00 174.62 173.92 1tus s TYR 31 N 1.01 3.22 0.20 4.92 2.02 -0.79 -4.90 117.35 123.03 1tus s TYR 31 Ca 0.53 0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 57.14 1tus s TYR 31 Cb -0.22 -2.25 0.13 0.00 -0.40 0.00 0.00 41.96 39.22 1tus s TYR 31 CO 0.28 -0.07 1.81 0.78 -1.57 0.00 0.00 175.55 176.78 1tus h GLY 32 N 7.73 1.06 -2.87 0.71 0.00 -1.89 -2.26 103.07 105.55 1tus h GLY 32 Ca -0.37 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 1tus h GLY 32 CO 0.62 0.46 0.07 0.54 0.00 0.00 0.00 176.54 178.23 1tus s ASN 33 N -6.02 -0.36 0.52 0.19 4.22 -1.26 -2.29 114.94 109.94 1tus s ASN 33 Ca -0.13 -0.27 0.18 0.00 -2.14 0.00 0.00 52.86 50.50 1tus s ASN 33 Cb 0.14 0.56 1.30 0.00 1.28 0.00 0.00 41.25 44.54 1tus s ASN 33 CO 0.79 -0.97 2.13 0.50 -2.04 0.00 0.00 177.10 177.51 1tus h LYS 34 N 2.18 0.00 -0.08 3.55 1.63 -1.81 -1.26 116.57 120.77 1tus h LYS 34 Ca -0.32 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.41 1tus h LYS 34 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 1tus h LYS 34 CO 0.40 0.04 -0.29 0.00 -3.45 0.00 0.00 179.45 176.15 1tus n ASN 36 N -4.15 0.64 0.00 0.00 3.02 -0.56 -3.09 115.26 111.13 1tus n ASN 36 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1tus n ASN 36 Cb 0.37 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1tus n ASN 36 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1tus n PHE 37 N -2.80 0.00 0.10 3.10 7.35 -0.73 -2.70 117.46 121.78 1tus n PHE 37 Ca -0.12 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.61 1tus n PHE 37 Cb 0.85 -0.42 0.46 0.00 0.35 0.00 0.00 39.48 40.73 1tus n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tus h ASN 39 N 0.33 0.00 1.56 0.00 -0.26 -1.66 -0.54 115.58 115.00 1tus h ASN 39 Ca 0.08 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1tus h ASN 39 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1tus h ASN 39 CO -0.01 0.13 -0.45 0.00 -1.06 0.00 0.00 177.43 176.04 1tus h ALA 40 N 1.87 0.78 0.36 -0.83 0.00 -0.62 -1.93 119.26 118.88 1tus h ALA 40 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tus h ALA 40 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tus h ALA 40 CO 0.02 0.31 -0.17 0.28 0.00 0.00 0.00 179.25 179.68 1tus h VAL 41 N 0.00 0.15 0.00 0.00 2.07 -0.80 -2.37 116.25 115.30 1tus h VAL 41 Ca -0.02 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1tus h VAL 41 Cb 1.19 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1tus h VAL 41 CO 0.03 0.04 -0.07 -0.37 0.02 0.00 0.00 177.57 177.21 1tus h VAL 42 N -1.09 0.78 -0.11 2.57 -1.51 -1.09 -1.06 116.25 114.75 1tus h VAL 42 Ca -0.05 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.12 1tus h VAL 42 Cb 0.43 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1tus h VAL 42 CO 0.08 0.07 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.07 1tus h GLU 43 N 0.00 0.25 0.00 5.19 3.07 -1.42 -1.75 114.58 119.91 1tus h GLU 43 Ca -0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1tus h GLU 43 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1tus h GLU 43 CO 0.01 0.64 0.00 0.66 -1.40 0.00 0.00 179.01 178.92 1tus h SER 44 N -0.14 0.00 -0.59 1.42 4.64 -0.66 -3.46 113.55 114.77 1tus h SER 44 Ca 0.02 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 1tus h SER 44 Cb 0.59 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.58 1tus h SER 44 CO 0.02 0.00 -0.23 0.59 -0.87 0.00 0.00 176.83 176.34 1tus n ASN 45 N -2.73 -5.40 0.00 4.97 5.03 -0.66 -3.54 115.26 112.92 1tus n ASN 45 Ca -0.02 0.31 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1tus n ASN 45 Cb 0.10 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 34.87 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tus n GLY 46 N -0.25 0.82 0.00 7.41 0.00 -1.22 -5.05 105.19 106.91 1tus n GLY 46 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1tus n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tus n THR 47 N 0.00 0.00 0.00 2.61 5.66 -1.23 -5.02 114.28 116.30 1tus n THR 47 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tus n THR 47 Cb 0.00 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 1tus n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1tus n LEU 48 N -1.35 0.00 -0.97 1.09 7.94 -1.26 -4.95 117.00 117.50 1tus n LEU 48 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1tus n LEU 48 Cb 0.09 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.01 1tus n LEU 48 CO 0.00 0.00 -0.21 0.35 -1.11 0.00 0.00 177.39 176.42 1tus n THR 49 N 0.00 0.00 -3.22 1.96 -2.24 -1.26 -4.13 114.28 105.39 1tus n THR 49 Ca 0.00 0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 1tus n THR 49 Cb 0.00 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 1tus n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tus s LEU 50 N -5.10 4.12 0.04 3.22 2.96 -1.26 -1.76 118.68 120.90 1tus s LEU 50 Ca 0.00 0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 1tus s LEU 50 Cb 0.00 -2.73 -0.16 0.00 0.50 0.00 0.00 46.19 43.80 1tus s LEU 50 CO 0.00 -0.22 1.41 -1.28 -1.32 0.00 0.00 176.35 174.94 1tus h SER 51 N 7.60 -0.90 -5.02 3.68 0.87 -1.54 -3.44 113.55 114.79 1tus h SER 51 Ca -0.32 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1tus h SER 51 Cb 1.15 0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 63.24 1tus h SER 51 CO 0.74 -0.63 0.17 -1.38 -0.53 0.00 0.00 176.83 175.20 1tus s HIS 52 N -5.28 -0.37 0.98 2.24 0.00 -1.17 -4.94 115.29 106.76 1tus s HIS 52 Ca -0.16 0.08 -0.16 0.00 -3.00 0.00 0.00 55.06 51.82 1tus s HIS 52 Cb 0.02 0.55 0.19 0.00 -4.00 0.00 0.00 32.58 29.34 1tus s HIS 52 CO 0.47 -0.95 1.25 -0.06 -1.00 0.00 0.00 174.74 174.45 1tus s PHE 53 N -3.81 1.68 0.35 0.38 0.40 -1.26 -1.10 117.98 114.62 1tus s PHE 53 Ca 0.05 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.84 1tus s PHE 53 Cb -0.02 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.67 1tus s PHE 53 CO -0.07 -2.72 0.00 0.41 0.70 0.00 0.00 175.22 173.54 1tus n GLY 54 N -3.04 -2.26 3.45 4.36 0.00 -0.77 -4.55 105.19 102.37 1tus n GLY 54 Ca 0.13 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1tus n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tus s LYS 55 N -2.65 -1.45 0.00 1.61 -0.14 -1.11 -2.56 119.74 113.44 1tus s LYS 55 Ca 0.00 0.63 0.31 0.00 -1.36 0.00 0.00 55.97 55.55 1tus s LYS 55 Cb 0.00 -1.51 1.83 0.00 -1.68 0.00 0.00 37.83 36.47 1tus s LYS 55 CO 0.00 -4.03 2.16 0.00 -0.76 0.00 0.00 175.35 172.72