#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 -0.01 -0.92 1.96 0.00 -1.26 -4.97 120.51 115.32 1tus n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tus n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.53 0.00 -3.00 0.00 0.00 -1.26 -4.39 120.51 111.33 1tus n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1tus n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1tus n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1tus n VAL 4 N -0.82 3.86 -4.44 0.00 0.24 -1.26 -5.00 118.33 110.90 1tus n VAL 4 Ca 0.00 -5.63 -0.20 0.00 -2.04 0.00 0.00 64.34 56.47 1tus n VAL 4 Cb 0.00 -1.69 -0.04 0.00 -1.47 0.00 0.00 33.84 30.64 1tus n VAL 4 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1tus n SER 5 N 0.25 2.58 -2.13 -1.34 3.41 -1.26 -4.44 113.62 110.69 1tus n SER 5 Ca 0.34 -2.38 -0.07 0.00 -0.26 0.00 0.00 58.87 56.50 1tus n SER 5 Cb 0.36 0.29 0.01 0.00 -0.26 0.00 0.00 64.21 64.61 1tus n SER 5 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1tus n VAL 6 N -0.75 0.00 -3.21 -3.33 0.24 -1.26 -5.01 118.33 105.01 1tus n VAL 6 Ca -0.12 -0.76 -0.20 0.00 -2.04 0.00 0.00 64.34 61.22 1tus n VAL 6 Cb 0.40 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.33 1tus n VAL 6 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1tus s ASP 7 N -2.29 0.58 -0.38 -1.34 1.01 -1.26 -5.01 116.67 107.98 1tus s ASP 7 Ca 0.12 -2.59 0.09 0.00 0.71 0.00 0.00 52.55 50.89 1tus s ASP 7 Cb -0.02 0.30 0.44 0.00 1.01 0.00 0.00 42.92 44.65 1tus s ASP 7 CO 0.09 -0.14 1.09 0.00 0.21 0.00 0.00 175.17 176.41 1tus n SER 9 N -0.43 7.41 0.00 0.00 3.41 -1.26 -3.25 113.62 119.50 1tus n SER 9 Ca 0.31 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 1tus n SER 9 Cb 0.75 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1tus n SER 9 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1tus n GLU 10 N 0.39 0.00 -0.64 4.33 4.07 -1.26 -5.14 120.64 122.39 1tus n GLU 10 Ca 0.53 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.32 1tus n GLU 10 Cb 0.30 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.87 1tus n GLU 10 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1tus n TYR 11 N -0.06 0.43 -2.02 4.31 4.02 -1.20 -4.64 117.16 117.99 1tus n TYR 11 Ca 0.00 0.30 -0.32 0.00 -0.01 0.00 0.00 57.90 57.87 1tus n TYR 11 Cb 0.00 -1.94 0.01 0.00 -0.02 0.00 0.00 39.34 37.38 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 -4.58 3.47 0.32 -0.72 0.04 -1.26 -4.83 135.00 127.45 1tus s PRO 12 Ca 0.67 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1tus s PRO 12 Cb -0.23 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1tus s PRO 12 CO 0.59 -0.67 0.17 0.15 0.04 0.00 0.00 177.00 177.28 1tus s LYS 13 N -4.46 2.51 0.00 4.56 1.02 -1.26 -5.07 119.74 117.05 1tus s LYS 13 Ca 0.60 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1tus s LYS 13 Cb -0.13 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 1tus s LYS 13 CO 0.42 0.17 1.02 -1.35 -0.92 0.00 0.00 175.35 174.69 1tus h PRO 14 N 1.51 -0.03 -4.57 -1.68 0.10 -2.02 -3.42 132.00 121.88 1tus h PRO 14 Ca -0.45 0.00 -0.70 0.00 0.10 0.00 0.00 66.00 64.95 1tus h PRO 14 Cb 1.25 0.01 -0.28 0.00 0.10 0.00 0.00 31.00 32.08 1tus h PRO 14 CO 0.61 -0.02 -0.54 0.00 0.10 0.00 0.00 178.00 178.15 1tus s ALA 15 N -3.28 3.17 -0.15 -0.75 0.00 -1.26 -5.02 121.76 114.47 1tus s ALA 15 Ca -0.01 -1.95 -0.07 0.00 0.00 0.00 0.00 51.96 49.94 1tus s ALA 15 Cb 0.00 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.72 1tus s ALA 15 CO 0.02 -1.49 0.35 0.00 0.00 0.00 0.00 175.76 174.64 1tus s THR 17 N 1.54 4.96 -0.65 0.00 -4.23 -1.26 -5.09 115.64 110.92 1tus s THR 17 Ca -0.08 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 1tus s THR 17 Cb -0.10 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.64 1tus s THR 17 CO -0.11 0.42 0.44 -0.76 -0.54 0.00 0.00 174.62 174.06 1tus s LEU 18 N 0.67 4.82 0.00 4.79 1.43 -1.26 -4.86 118.68 124.27 1tus s LEU 18 Ca 0.05 -3.34 0.00 0.00 -1.03 0.00 0.00 54.13 49.81 1tus s LEU 18 Cb -0.13 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1tus s LEU 18 CO 0.01 -0.21 0.00 -1.84 0.23 0.00 0.00 176.35 174.55 1tus n GLU 19 N 2.72 2.63 0.14 1.70 0.28 -1.26 -5.25 120.64 121.61 1tus n GLU 19 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.98 1tus n GLU 19 Cb 0.35 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.14 1tus n GLU 19 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1tus h TYR 20 N 0.00 -0.30 -3.23 -1.84 3.20 -1.89 -3.43 116.97 109.48 1tus h TYR 20 Ca 0.00 -0.01 -0.57 0.00 3.14 0.00 0.00 58.73 61.29 1tus h TYR 20 Cb 0.00 0.10 0.13 0.00 1.54 0.00 0.00 36.73 38.49 1tus h TYR 20 CO 0.00 -0.07 0.32 2.89 -1.64 0.00 0.00 178.16 179.66 1tus n ARG 21 N -5.16 1.64 -4.56 1.82 1.85 -1.26 -4.05 116.66 106.93 1tus n ARG 21 Ca -0.09 0.58 -0.31 0.00 -1.00 0.00 0.00 57.85 57.02 1tus n ARG 21 Cb 0.20 -2.19 -0.06 0.00 -1.05 0.00 0.00 32.46 29.36 1tus n ARG 21 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1tus n PRO 22 N 0.16 0.80 -0.79 2.89 -0.04 -1.23 -4.07 135.00 132.73 1tus n PRO 22 Ca 0.08 -3.59 0.00 0.00 -0.04 0.00 0.00 63.50 59.95 1tus n PRO 22 Cb 0.39 0.93 0.00 0.00 -0.04 0.00 0.00 33.50 34.78 1tus n PRO 22 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tus n LEU 23 N 0.00 0.00 -4.07 1.53 4.32 -1.02 -3.99 117.00 113.78 1tus n LEU 23 Ca -0.20 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.51 1tus n LEU 23 Cb 0.62 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.26 1tus n LEU 23 CO 0.34 0.00 -0.50 0.00 -1.22 0.00 0.00 177.39 176.01 1tus n GLY 25 N 4.04 -0.33 2.16 0.00 0.00 -1.02 -1.68 105.19 108.36 1tus n GLY 25 Ca -0.20 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 1tus n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tus n SER 26 N -3.09 5.34 -1.19 1.61 3.41 -0.03 -3.93 113.62 115.74 1tus n SER 26 Ca 0.03 -3.52 0.09 0.00 -0.26 0.00 0.00 58.87 55.22 1tus n SER 26 Cb 0.12 -0.89 0.28 0.00 -0.26 0.00 0.00 64.21 63.46 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 -0.82 3.46 -3.15 4.04 5.75 -1.26 -4.84 116.55 119.73 1tus n ASP 27 Ca 0.54 -2.08 -0.19 0.00 -0.01 0.00 0.00 54.79 53.05 1tus n ASP 27 Cb 1.15 -0.44 0.07 0.00 -1.03 0.00 0.00 41.12 40.87 1tus n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tus n ASN 28 N 1.21 -4.69 -3.68 -1.12 5.03 -1.25 -4.96 115.26 105.79 1tus n ASN 28 Ca 0.21 -0.49 -0.02 0.00 0.87 0.00 0.00 54.58 55.15 1tus n ASN 28 Cb 0.57 -4.44 -0.01 0.00 -1.02 0.00 0.00 39.78 34.88 1tus n ASN 28 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1tus s LYS 29 N -5.85 0.88 0.29 3.52 -2.85 -1.26 -5.09 119.74 109.38 1tus s LYS 29 Ca 0.36 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.57 1tus s LYS 29 Cb -0.16 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.83 1tus s LYS 29 CO 0.63 -0.40 1.32 0.99 0.10 0.00 0.00 175.35 177.99 1tus s THR 30 N -2.98 2.84 0.05 3.79 2.01 -1.26 -2.42 115.64 117.67 1tus s THR 30 Ca 0.12 0.78 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 1tus s THR 30 Cb 0.01 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 1tus s THR 30 CO -0.01 0.16 0.41 -0.31 -0.69 0.00 0.00 174.62 174.18 1tus s TYR 31 N -0.72 3.63 0.05 4.92 2.02 -0.18 -4.87 117.35 122.20 1tus s TYR 31 Ca 0.52 0.87 -0.31 0.00 -0.37 0.00 0.00 57.07 57.78 1tus s TYR 31 Cb -0.39 -2.21 -0.18 0.00 -0.40 0.00 0.00 41.96 38.78 1tus s TYR 31 CO 0.48 0.56 1.50 0.78 -1.57 0.00 0.00 175.55 177.30 1tus h GLY 32 N 4.06 -0.84 -1.86 0.71 0.00 -1.88 -2.69 103.07 100.56 1tus h GLY 32 Ca -0.50 0.31 -0.41 0.00 0.00 0.00 0.00 47.33 46.73 1tus h GLY 32 CO 0.65 -0.30 -0.39 0.54 0.00 0.00 0.00 176.54 177.03 1tus s ASN 33 N -4.55 1.43 0.26 0.19 4.22 -1.26 -3.47 114.94 111.77 1tus s ASN 33 Ca -0.16 -1.68 -0.04 0.00 -2.14 0.00 0.00 52.86 48.84 1tus s ASN 33 Cb 0.03 0.59 0.32 0.00 1.28 0.00 0.00 41.25 43.47 1tus s ASN 33 CO 0.58 -1.15 1.88 0.11 -2.04 0.00 0.00 177.10 176.48 1tus h LYS 34 N 2.13 1.12 -0.29 3.55 1.57 -1.83 -0.20 116.57 122.61 1tus h LYS 34 Ca -0.26 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.21 1tus h LYS 34 Cb 1.23 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1tus h LYS 34 CO 0.37 0.83 -0.52 0.00 -0.57 0.00 0.00 179.45 179.56 1tus h ASN 36 N 0.65 0.00 0.51 0.00 -0.26 -1.91 -0.92 115.58 113.65 1tus h ASN 36 Ca 0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1tus h ASN 36 Cb 1.12 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.38 1tus h ASN 36 CO 0.11 0.29 -0.25 0.15 -1.06 0.00 0.00 177.43 176.68 1tus h PHE 37 N 0.00 -0.64 0.00 1.19 3.57 -0.80 -1.95 116.94 118.31 1tus h PHE 37 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tus h PHE 37 Cb 0.94 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1tus h PHE 37 CO 0.00 -0.40 -0.01 0.00 -2.23 0.00 0.00 178.31 175.67 1tus h ASN 39 N 0.00 0.13 0.09 0.00 2.35 -1.20 -0.56 115.58 116.39 1tus h ASN 39 Ca -0.00 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1tus h ASN 39 Cb 0.02 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1tus h ASN 39 CO 0.00 0.77 -0.08 0.00 -1.65 0.00 0.00 177.43 176.47 1tus h ALA 40 N 1.23 1.80 0.17 -0.83 0.00 -0.24 -0.11 119.26 121.28 1tus h ALA 40 Ca -0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1tus h ALA 40 Cb 1.20 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.00 1tus h ALA 40 CO 0.10 0.10 -1.25 0.28 0.00 0.00 0.00 179.25 178.47 1tus h VAL 41 N 0.00 1.26 0.07 0.00 2.07 -0.95 -2.34 116.25 116.36 1tus h VAL 41 Ca -0.00 -2.54 -0.24 0.00 0.82 0.00 0.00 66.70 64.73 1tus h VAL 41 Cb 0.14 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1tus h VAL 41 CO 0.01 0.76 -1.09 -0.37 0.02 0.00 0.00 177.57 176.90 1tus h VAL 42 N -0.16 1.50 -0.17 2.57 -1.51 -0.77 -1.38 116.25 116.33 1tus h VAL 42 Ca -0.24 -2.88 -0.05 0.00 -1.23 0.00 0.00 66.70 62.31 1tus h VAL 42 Cb 1.87 2.74 -0.01 0.00 -2.13 0.00 0.00 31.29 33.75 1tus h VAL 42 CO 0.17 0.84 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.91 1tus h GLU 43 N 0.11 0.26 0.00 5.19 3.07 -1.17 -2.56 114.58 119.48 1tus h GLU 43 Ca -0.09 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1tus h GLU 43 Cb 1.78 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1tus h GLU 43 CO 0.18 0.38 -0.01 0.77 -1.40 0.00 0.00 179.01 178.93 1tus h SER 44 N 0.25 0.00 -1.14 1.42 0.02 -0.67 -3.46 113.55 109.98 1tus h SER 44 Ca 0.05 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1tus h SER 44 Cb 0.35 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1tus h SER 44 CO 0.02 0.01 -0.26 0.59 -1.14 0.00 0.00 176.83 176.05 1tus n ASN 45 N -3.33 -3.99 -2.30 3.07 3.02 -0.96 -3.77 115.26 107.00 1tus n ASN 45 Ca -0.03 0.12 -0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1tus n ASN 45 Cb 0.10 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tus n GLY 46 N -1.27 -2.69 0.00 7.41 0.00 -1.14 -5.01 105.19 102.49 1tus n GLY 46 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.11 0.00 -1.86 2.61 5.66 -1.25 -5.12 114.28 114.44 1tus n THR 47 Ca 0.03 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.72 1tus n THR 47 Cb 0.12 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.91 1tus n THR 47 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1tus s LEU 48 N -2.33 3.21 -0.09 1.09 0.20 -1.26 -5.06 118.68 114.43 1tus s LEU 48 Ca 0.00 1.41 -0.32 0.00 0.69 0.00 0.00 54.13 55.91 1tus s LEU 48 Cb 0.00 -4.44 0.12 0.00 -0.43 0.00 0.00 46.19 41.45 1tus s LEU 48 CO 0.00 -0.91 1.20 0.28 -0.29 0.00 0.00 176.35 176.62 1tus s THR 49 N -3.19 0.00 0.02 3.68 -1.32 -1.26 -4.86 115.64 108.71 1tus s THR 49 Ca 0.55 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.61 1tus s THR 49 Cb -0.11 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1tus s THR 49 CO 0.54 0.00 1.13 -0.22 -2.21 0.00 0.00 174.62 173.86 1tus s LEU 50 N -2.54 4.35 0.02 9.08 2.96 -1.26 -0.85 118.68 130.44 1tus s LEU 50 Ca 0.11 1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 55.70 1tus s LEU 50 Cb 0.01 -3.57 -0.27 0.00 0.50 0.00 0.00 46.19 42.86 1tus s LEU 50 CO -0.04 -0.43 1.08 -1.28 -1.32 0.00 0.00 176.35 174.36 1tus h SER 51 N 6.92 0.70 -5.34 3.68 0.87 -1.53 -3.43 113.55 115.42 1tus h SER 51 Ca -0.40 -0.81 0.28 0.00 -1.23 0.00 0.00 61.79 59.64 1tus h SER 51 Cb 1.20 -0.22 -0.13 0.00 -0.44 0.00 0.00 62.40 62.81 1tus h SER 51 CO 0.81 1.43 0.77 -1.38 -0.53 0.00 0.00 176.83 177.93 1tus s HIS 52 N -3.02 -0.08 -0.90 2.24 0.00 -1.15 -4.87 115.29 107.51 1tus s HIS 52 Ca -0.11 -0.03 -0.16 0.00 -3.00 0.00 0.00 55.06 51.75 1tus s HIS 52 Cb 0.04 0.55 0.18 0.00 -4.00 0.00 0.00 32.58 29.35 1tus s HIS 52 CO 0.88 -0.34 0.98 -0.06 -1.00 0.00 0.00 174.74 175.19 1tus s PHE 53 N -2.56 3.48 0.00 0.38 0.40 -1.26 -2.24 117.98 116.18 1tus s PHE 53 Ca 0.13 -1.75 0.00 0.00 -0.60 0.00 0.00 56.93 54.70 1tus s PHE 53 Cb 0.03 -4.05 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1tus s PHE 53 CO -0.03 -1.24 0.00 0.41 0.70 0.00 0.00 175.22 175.06 1tus n GLY 54 N 4.63 4.08 2.81 4.36 0.00 -1.26 -4.99 105.19 114.83 1tus n GLY 54 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1tus n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tus n LYS 55 N 0.00 1.68 -0.65 1.61 5.02 -1.26 -3.07 118.16 121.49 1tus n LYS 55 Ca 0.00 -3.49 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 1tus n LYS 55 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88