#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 -0.42 -2.60 1.96 0.00 -1.26 -4.70 120.51 113.48 1tus n ALA 2 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1tus n ALA 2 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.46 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 -0.16 -1.17 -2.94 0.00 0.00 -1.26 -5.08 120.51 109.91 1tus n ALA 3 Ca -0.21 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.38 1tus n ALA 3 Cb 0.66 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 0.05 4.93 -0.12 0.00 0.11 -1.26 -4.81 120.40 119.30 1tus s VAL 4 Ca 0.04 -2.27 -0.28 0.00 -2.93 0.00 0.00 61.98 56.53 1tus s VAL 4 Cb 0.12 -4.86 0.07 0.00 -1.53 0.00 0.00 36.38 30.17 1tus s VAL 4 CO -0.03 -1.58 0.67 -0.44 -3.33 0.00 0.00 175.10 170.39 1tus s SER 5 N 3.10 -0.67 -0.19 3.54 0.01 -1.26 -4.92 113.70 113.31 1tus s SER 5 Ca 0.39 0.92 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 1tus s SER 5 Cb -0.04 0.82 0.09 0.00 0.21 0.00 0.00 66.02 67.10 1tus s SER 5 CO -0.03 -0.49 0.24 -0.69 0.41 0.00 0.00 173.24 172.68 1tus s VAL 6 N -0.70 -0.36 -0.21 3.43 1.01 -1.26 -5.10 120.40 117.20 1tus s VAL 6 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1tus s VAL 6 Cb -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1tus s VAL 6 CO 0.07 -0.14 1.72 -0.62 0.00 0.00 0.00 175.10 176.13 1tus s ASP 7 N 2.36 6.24 -0.21 3.32 2.15 -1.26 -4.83 116.67 124.43 1tus s ASP 7 Ca 0.07 1.69 0.19 0.00 0.43 0.00 0.00 52.55 54.92 1tus s ASP 7 Cb -0.15 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.41 1tus s ASP 7 CO -0.12 -1.37 1.15 0.00 -0.17 0.00 0.00 175.17 174.67 1tus n SER 9 N -0.47 7.80 0.00 0.00 7.64 -1.26 -3.13 113.62 124.21 1tus n SER 9 Ca 0.17 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1tus n SER 9 Cb 0.90 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.44 0.00 -0.68 1.43 4.07 -1.26 -5.13 120.64 120.50 1tus n GLU 10 Ca 0.59 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.38 1tus n GLU 10 Cb 0.28 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.83 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 -0.07 0.39 -2.67 4.31 4.02 -1.18 -4.57 117.16 117.38 1tus n TYR 11 Ca 0.00 0.35 -0.40 0.00 -0.01 0.00 0.00 57.90 57.84 1tus n TYR 11 Cb 0.00 -1.95 -0.05 0.00 -0.02 0.00 0.00 39.34 37.31 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 -4.46 4.80 0.75 -0.72 0.04 -1.26 -4.89 135.00 129.26 1tus s PRO 12 Ca 0.65 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1tus s PRO 12 Cb -0.23 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.10 1tus s PRO 12 CO 0.60 0.43 1.09 0.15 0.04 0.00 0.00 177.00 179.31 1tus s LYS 13 N -1.26 2.38 -0.05 4.56 3.01 -1.26 -5.01 119.74 122.11 1tus s LYS 13 Ca 0.42 1.20 -0.02 0.00 -1.01 0.00 0.00 55.97 56.56 1tus s LYS 13 Cb -0.28 -1.91 -0.01 0.00 -1.01 0.00 0.00 37.83 34.62 1tus s LYS 13 CO 0.35 -1.55 0.09 -1.00 0.51 0.00 0.00 175.35 173.75 1tus h PRO 14 N -0.91 -0.05 -3.97 -1.68 0.13 -2.01 -3.47 132.00 120.03 1tus h PRO 14 Ca -0.44 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.31 1tus h PRO 14 Cb 1.23 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1tus h PRO 14 CO 0.52 -0.03 -0.76 0.00 -0.23 0.00 0.00 178.00 177.49 1tus s ALA 15 N -2.88 0.56 0.24 -0.56 0.00 -1.26 -5.15 121.76 112.71 1tus s ALA 15 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.05 1tus s ALA 15 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1tus s ALA 15 CO 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 175.76 175.64 1tus s THR 17 N -2.16 3.32 -0.80 0.00 2.01 -1.26 -5.06 115.64 111.69 1tus s THR 17 Ca 0.28 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1tus s THR 17 Cb -0.07 -2.41 0.21 0.00 0.01 0.00 0.00 72.50 70.24 1tus s THR 17 CO 0.15 0.52 0.71 -0.22 -0.69 0.00 0.00 174.62 175.09 1tus s LEU 18 N 0.34 6.37 -0.08 4.42 1.98 -1.26 -4.82 118.68 125.64 1tus s LEU 18 Ca -0.09 -2.80 0.01 0.00 -2.89 0.00 0.00 54.13 48.36 1tus s LEU 18 Cb -0.15 -2.12 -0.03 0.00 0.66 0.00 0.00 46.19 44.55 1tus s LEU 18 CO 0.05 -0.50 -0.10 -1.61 -1.89 0.00 0.00 176.35 172.30 1tus s GLU 19 N -0.00 2.82 1.09 1.98 8.01 -1.26 -5.29 118.70 126.06 1tus s GLU 19 Ca 0.19 -0.62 -0.12 0.00 0.01 0.00 0.00 54.97 54.43 1tus s GLU 19 Cb -0.12 -2.55 0.24 0.00 -4.31 0.00 0.00 34.13 27.40 1tus s GLU 19 CO -0.08 0.55 1.06 -0.47 0.01 0.00 0.00 175.26 176.34 1tus s TYR 20 N -0.53 1.47 0.00 1.61 5.04 -1.26 -4.24 117.35 119.44 1tus s TYR 20 Ca 0.07 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1tus s TYR 20 Cb -0.12 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1tus s TYR 20 CO 0.02 -3.55 0.00 2.89 -1.34 0.00 0.00 175.55 173.57 1tus n ARG 21 N -4.71 -0.70 -3.65 4.97 1.85 0.98 -4.84 116.66 110.56 1tus n ARG 21 Ca 0.05 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.52 1tus n ARG 21 Cb 0.54 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.86 1tus n ARG 21 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1tus s PRO 22 N -2.00 2.64 0.10 2.89 0.04 -1.26 -3.66 135.00 133.75 1tus s PRO 22 Ca 0.00 -2.36 -0.00 0.00 0.04 0.00 0.00 61.00 58.67 1tus s PRO 22 Cb 0.00 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.72 1tus s PRO 22 CO 0.00 -1.18 0.13 1.28 0.04 0.00 0.00 177.00 177.27 1tus n LEU 23 N 3.83 0.00 -3.77 -3.56 4.77 -0.83 -1.82 117.00 115.62 1tus n LEU 23 Ca 0.06 -0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 1tus n LEU 23 Cb 0.40 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1tus n LEU 23 CO 0.35 -0.57 -0.13 0.00 -1.33 0.00 0.00 177.39 175.70 1tus n GLY 25 N 3.48 -1.29 2.01 0.00 0.00 -0.15 -1.51 105.19 107.72 1tus n GLY 25 Ca -0.18 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1tus n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tus n SER 26 N -3.17 4.25 -0.07 1.61 2.88 0.12 -4.02 113.62 115.23 1tus n SER 26 Ca 0.03 -3.26 0.02 0.00 -1.33 0.00 0.00 58.87 54.33 1tus n SER 26 Cb 0.10 -0.76 0.03 0.00 -0.75 0.00 0.00 64.21 62.83 1tus n SER 26 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1tus n ASP 27 N -0.47 1.38 -1.51 -3.46 5.75 -1.26 -4.86 116.55 112.12 1tus n ASP 27 Ca 0.45 -1.98 -0.12 0.00 -0.01 0.00 0.00 54.79 53.13 1tus n ASP 27 Cb 1.42 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 41.41 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 -0.52 -3.84 -3.90 -1.12 5.03 -1.26 -5.02 115.26 104.63 1tus n ASN 28 Ca 0.03 -0.08 -0.15 0.00 0.87 0.00 0.00 54.58 55.25 1tus n ASN 28 Cb 0.44 -2.91 -0.15 0.00 -1.02 0.00 0.00 39.78 36.14 1tus n ASN 28 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1tus s LYS 29 N -4.85 0.26 0.43 3.52 -0.14 -1.26 -5.04 119.74 112.65 1tus s LYS 29 Ca 0.08 -0.07 -0.22 0.00 -1.36 0.00 0.00 55.97 54.40 1tus s LYS 29 Cb -0.04 -0.28 -0.10 0.00 -1.68 0.00 0.00 37.83 35.73 1tus s LYS 29 CO 0.10 0.02 0.99 0.99 -0.76 0.00 0.00 175.35 176.69 1tus s THR 30 N 0.15 4.09 -0.09 2.17 2.01 -1.26 -0.98 115.64 121.73 1tus s THR 30 Ca -0.01 1.38 0.04 0.00 0.31 0.00 0.00 61.69 63.40 1tus s THR 30 Cb -0.04 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1tus s THR 30 CO -0.00 -0.21 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.19 1tus s TYR 31 N -1.99 2.36 0.00 4.92 2.02 -0.94 -4.89 117.35 118.83 1tus s TYR 31 Ca 0.62 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1tus s TYR 31 Cb -0.14 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1tus s TYR 31 CO 0.18 -0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 1tus n GLY 32 N 3.57 -2.05 3.96 0.71 0.00 -1.24 -1.96 105.19 108.18 1tus n GLY 32 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1tus n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tus s ASN 33 N -1.92 6.33 0.36 1.61 4.22 -1.26 -0.01 114.94 124.26 1tus s ASN 33 Ca 0.00 0.12 0.25 0.00 -2.14 0.00 0.00 52.86 51.09 1tus s ASN 33 Cb 0.00 -1.89 1.31 0.00 1.28 0.00 0.00 41.25 41.95 1tus s ASN 33 CO 0.00 -0.02 1.76 0.50 -2.04 0.00 0.00 177.10 177.31 1tus h LYS 34 N 1.62 0.00 -0.28 3.55 3.64 -1.92 -0.72 116.57 122.46 1tus h LYS 34 Ca -0.50 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1tus h LYS 34 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1tus h LYS 34 CO 0.65 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1tus h ASN 36 N 0.29 0.00 0.08 0.00 -0.26 -1.56 -1.60 115.58 112.52 1tus h ASN 36 Ca 0.08 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1tus h ASN 36 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1tus h ASN 36 CO 0.01 0.33 -0.04 0.15 -1.06 0.00 0.00 177.43 176.83 1tus h PHE 37 N 0.00 -0.10 -0.08 1.19 3.57 -1.27 -2.14 116.94 118.11 1tus h PHE 37 Ca -0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1tus h PHE 37 Cb 1.33 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 1tus h PHE 37 CO 0.00 -0.06 -0.04 0.00 -2.23 0.00 0.00 178.31 175.98 1tus h ASN 39 N 0.12 0.15 0.96 0.00 2.35 -1.37 -0.41 115.58 117.38 1tus h ASN 39 Ca 0.03 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1tus h ASN 39 Cb 0.15 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1tus h ASN 39 CO 0.01 0.47 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1tus h ALA 40 N 1.54 1.00 0.00 -0.83 0.00 0.01 -0.74 119.26 120.24 1tus h ALA 40 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1tus h ALA 40 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1tus h ALA 40 CO 0.05 0.00 -0.63 0.28 0.00 0.00 0.00 179.25 178.95 1tus h VAL 41 N 0.00 0.96 -0.11 0.00 2.07 -0.73 -2.68 116.25 115.76 1tus h VAL 41 Ca 0.00 -1.94 -0.12 0.00 0.82 0.00 0.00 66.70 65.46 1tus h VAL 41 Cb 0.48 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1tus h VAL 41 CO 0.00 0.33 -0.48 -0.37 0.02 0.00 0.00 177.57 177.07 1tus h VAL 42 N -1.00 1.34 0.00 2.57 -1.51 -0.80 -0.18 116.25 116.66 1tus h VAL 42 Ca -0.15 -1.69 -0.11 0.00 -1.23 0.00 0.00 66.70 63.52 1tus h VAL 42 Cb 0.96 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 1tus h VAL 42 CO -0.09 0.51 -0.52 -0.33 -1.23 0.00 0.00 177.57 175.91 1tus h GLU 43 N 0.23 0.00 -0.06 5.19 3.07 -1.32 -1.48 114.58 120.22 1tus h GLU 43 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1tus h GLU 43 Cb 0.93 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1tus h GLU 43 CO 0.08 0.52 -0.05 0.77 -1.40 0.00 0.00 179.01 178.92 1tus h SER 44 N 0.00 0.07 -3.86 1.42 0.02 -0.70 -3.47 113.55 107.03 1tus h SER 44 Ca -0.01 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 1tus h SER 44 Cb 0.92 -0.02 0.09 0.00 0.14 0.00 0.00 62.40 63.53 1tus h SER 44 CO 0.07 0.13 -0.39 -3.20 -1.14 0.00 0.00 176.83 172.31 1tus n ASN 45 N -4.43 -2.45 -1.75 3.07 2.85 -0.56 -3.45 115.26 108.53 1tus n ASN 45 Ca -0.02 -0.31 -0.21 0.00 -0.11 0.00 0.00 54.58 53.93 1tus n ASN 45 Cb 0.16 -2.77 -0.07 0.00 1.24 0.00 0.00 39.78 38.33 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tus n GLY 46 N -1.12 1.49 0.00 8.20 0.00 -1.05 -4.93 105.19 107.78 1tus n GLY 46 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1tus n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tus n THR 47 N -2.68 0.00 -1.81 2.61 -1.04 -1.22 -4.91 114.28 105.23 1tus n THR 47 Ca -0.21 0.43 -0.37 0.00 -2.04 0.00 0.00 64.05 61.85 1tus n THR 47 Cb 0.68 -1.09 0.05 0.00 -1.82 0.00 0.00 70.33 68.16 1tus n THR 47 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1tus s LEU 48 N -0.32 3.69 0.00 -4.42 0.20 -1.26 -5.04 118.68 111.53 1tus s LEU 48 Ca 0.00 2.64 0.02 0.00 0.69 0.00 0.00 54.13 57.47 1tus s LEU 48 Cb 0.00 -4.49 -0.01 0.00 -0.43 0.00 0.00 46.19 41.27 1tus s LEU 48 CO 0.00 -1.78 0.07 0.35 -0.29 0.00 0.00 176.35 174.70 1tus n THR 49 N -1.52 0.00 -3.08 3.68 -2.24 -1.26 -4.70 114.28 105.15 1tus n THR 49 Ca 0.13 -0.61 -0.39 0.00 -2.27 0.00 0.00 64.05 60.91 1tus n THR 49 Cb 0.47 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.00 4.39 0.01 3.22 2.96 -1.26 -0.70 118.68 127.30 1tus s LEU 50 Ca 0.09 1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 55.20 1tus s LEU 50 Cb 0.00 -3.07 -0.30 0.00 0.50 0.00 0.00 46.19 43.32 1tus s LEU 50 CO 0.07 0.00 0.91 -1.28 -1.32 0.00 0.00 176.35 174.73 1tus h SER 51 N 6.02 0.52 0.00 3.68 0.87 -1.41 -3.46 113.55 119.77 1tus h SER 51 Ca -0.43 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.47 1tus h SER 51 Cb 1.20 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1tus h SER 51 CO 0.72 1.54 0.00 0.00 -0.53 0.00 0.00 176.83 178.55 1tus n HIS 52 N -3.54 0.00 -3.10 2.24 -0.00 -1.19 -4.82 115.22 104.80 1tus n HIS 52 Ca -0.16 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.12 1tus n HIS 52 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.05 1tus n HIS 52 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1tus n PHE 53 N -0.33 3.75 -2.03 -1.40 3.01 -1.26 -1.29 117.46 117.90 1tus n PHE 53 Ca 0.00 -3.21 -0.01 0.00 1.01 0.00 0.00 57.45 55.25 1tus n PHE 53 Cb 0.00 -1.54 -0.01 0.00 -0.01 0.00 0.00 39.48 37.92 1tus n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tus n GLY 54 N 2.14 0.79 2.95 1.37 0.00 -1.24 -3.98 105.19 107.22 1tus n GLY 54 Ca 0.27 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 0.03 -4.69 -0.56 1.61 5.02 -0.76 -4.98 118.16 113.84 1tus n LYS 55 Ca -0.03 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1tus n LYS 55 Cb 0.63 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88