#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 -2.44 -2.52 1.96 0.00 -1.26 -5.01 120.51 111.24 1tus n ALA 2 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 53.44 54.00 1tus n ALA 2 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.11 -3.65 0.21 0.00 0.00 -1.26 -4.91 120.51 107.80 1tus n ALA 3 Ca -0.03 2.00 0.12 0.00 0.00 0.00 0.00 53.44 55.52 1tus n ALA 3 Cb 0.52 -3.91 0.16 0.00 0.00 0.00 0.00 19.45 16.22 1tus n ALA 3 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1tus h VAL 4 N 3.61 0.03 -3.59 0.00 3.04 -2.07 -3.48 116.25 113.80 1tus h VAL 4 Ca -0.45 -1.05 -0.47 0.00 -1.01 0.00 0.00 66.70 63.73 1tus h VAL 4 Cb 1.02 2.00 0.21 0.00 -2.01 0.00 0.00 31.29 32.50 1tus h VAL 4 CO 0.02 0.02 0.07 -0.24 -1.01 0.00 0.00 177.57 176.43 1tus n SER 5 N -3.09 -1.01 -4.54 3.17 2.88 -1.26 -4.94 113.62 104.84 1tus n SER 5 Ca 0.04 0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.28 1tus n SER 5 Cb 0.54 -1.34 -0.11 0.00 -0.75 0.00 0.00 64.21 62.55 1tus n SER 5 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1tus s VAL 6 N -2.49 4.16 -0.38 2.46 1.01 -1.26 -5.07 120.40 118.83 1tus s VAL 6 Ca 0.68 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1tus s VAL 6 Cb -0.25 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.35 1tus s VAL 6 CO 0.63 0.48 0.18 -0.62 0.00 0.00 0.00 175.10 175.77 1tus s ASP 7 N 0.37 5.52 -0.56 3.32 2.15 -1.26 -4.95 116.67 121.26 1tus s ASP 7 Ca -0.02 -1.27 0.02 0.00 0.43 0.00 0.00 52.55 51.71 1tus s ASP 7 Cb -0.14 -1.94 0.41 0.00 -0.30 0.00 0.00 42.92 40.95 1tus s ASP 7 CO 0.02 -0.42 1.51 0.00 -0.17 0.00 0.00 175.17 176.11 1tus n SER 9 N -0.59 6.95 -0.70 0.00 7.64 -1.26 -3.01 113.62 122.65 1tus n SER 9 Ca 0.47 -3.51 0.05 0.00 1.01 0.00 0.00 58.87 56.89 1tus n SER 9 Cb 0.59 -0.99 0.10 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.50 0.73 -4.44 1.43 2.13 -1.26 -5.09 120.64 113.64 1tus n GLU 10 Ca 0.51 -2.27 -0.21 0.00 0.66 0.00 0.00 57.16 55.85 1tus n GLU 10 Cb 0.70 -0.90 -0.10 0.00 0.27 0.00 0.00 31.44 31.41 1tus n GLU 10 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1tus s TYR 11 N -1.55 1.95 0.27 4.31 1.51 -1.17 -4.03 117.35 118.65 1tus s TYR 11 Ca 0.27 -0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 55.23 1tus s TYR 11 Cb 0.27 -1.19 -0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1tus s TYR 11 CO -0.06 0.17 1.16 -1.25 -1.11 0.00 0.00 175.55 174.47 1tus s PRO 12 N -3.79 4.55 0.80 -1.71 0.04 -1.26 -4.91 135.00 128.71 1tus s PRO 12 Ca 0.32 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 1tus s PRO 12 Cb 0.06 -3.18 0.18 0.00 0.04 0.00 0.00 34.50 31.61 1tus s PRO 12 CO 0.13 0.06 1.08 0.36 0.04 0.00 0.00 177.00 178.68 1tus n LYS 13 N 1.41 -1.01 0.16 4.56 -0.00 -1.26 -5.02 118.16 117.00 1tus n LYS 13 Ca 0.00 -1.73 -0.13 0.00 -0.00 0.00 0.00 58.31 56.46 1tus n LYS 13 Cb 0.44 -1.10 -0.07 0.00 -0.00 0.00 0.00 35.03 34.30 1tus n LYS 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1tus h PRO 14 N 0.00 -0.64 0.00 -1.58 0.10 -2.02 -3.49 132.00 124.37 1tus h PRO 14 Ca -0.35 0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.79 1tus h PRO 14 Cb 0.98 0.14 0.00 0.00 0.10 0.00 0.00 31.00 32.22 1tus h PRO 14 CO 0.25 -0.42 0.00 0.00 0.10 0.00 0.00 178.00 177.93 1tus n ALA 15 N -2.72 0.00 -3.71 -0.75 0.00 -1.26 -5.19 120.51 106.87 1tus n ALA 15 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1tus n ALA 15 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1tus n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tus n THR 17 N -0.47 2.81 0.08 0.00 -2.24 -1.26 -4.96 114.28 108.24 1tus n THR 17 Ca -0.04 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1tus n THR 17 Cb 0.60 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1tus n THR 17 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1tus n LEU 18 N -0.31 -0.78 -4.80 3.22 -0.00 -1.26 -4.93 117.00 108.14 1tus n LEU 18 Ca 0.42 0.28 -0.34 0.00 -0.00 0.00 0.00 56.01 56.37 1tus n LEU 18 Cb 1.38 0.90 -0.03 0.00 -0.00 0.00 0.00 43.42 45.67 1tus n LEU 18 CO 0.45 -0.43 0.70 -0.70 -0.00 0.00 0.00 177.39 177.41 1tus s GLU 19 N -2.00 3.81 0.40 1.96 2.12 -1.26 -5.05 118.70 118.68 1tus s GLU 19 Ca 0.00 1.28 -0.23 0.00 0.36 0.00 0.00 54.97 56.38 1tus s GLU 19 Cb 0.00 -2.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.20 1tus s GLU 19 CO 0.00 -0.41 1.01 -0.47 -0.54 0.00 0.00 175.26 174.85 1tus s TYR 20 N -2.11 3.31 0.00 5.30 6.14 -1.26 -4.57 117.35 124.16 1tus s TYR 20 Ca 0.66 1.65 0.00 0.00 0.64 0.00 0.00 57.07 60.02 1tus s TYR 20 Cb -0.15 -3.03 0.00 0.00 0.42 0.00 0.00 41.96 39.20 1tus s TYR 20 CO 0.22 -0.42 0.00 2.89 0.64 0.00 0.00 175.55 178.87 1tus n ARG 21 N -0.20 0.00 -3.01 4.97 1.85 -0.86 -4.97 116.66 114.43 1tus n ARG 21 Ca 0.05 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.54 1tus n ARG 21 Cb 0.51 0.00 -0.06 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 -0.56 4.37 0.00 2.89 0.04 -1.21 -3.56 135.00 136.98 1tus s PRO 22 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1tus s PRO 22 Cb 0.00 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1tus s PRO 22 CO 0.00 0.39 0.00 1.28 0.04 0.00 0.00 177.00 178.71 1tus n LEU 23 N 0.79 0.00 -4.12 -3.56 4.32 -0.94 -4.04 117.00 109.45 1tus n LEU 23 Ca -0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.81 1tus n LEU 23 Cb 0.51 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.18 1tus n LEU 23 CO 0.44 0.00 -0.44 0.00 -1.22 0.00 0.00 177.39 176.17 1tus n GLY 25 N 1.56 -0.83 1.74 0.00 0.00 -0.24 -2.43 105.19 104.99 1tus n GLY 25 Ca -0.21 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.17 1tus n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tus n SER 26 N -2.89 5.20 -0.87 1.61 7.64 0.04 -4.13 113.62 120.22 1tus n SER 26 Ca 0.00 -2.82 0.08 0.00 1.01 0.00 0.00 58.87 57.14 1tus n SER 26 Cb 0.00 -0.67 0.20 0.00 -1.01 0.00 0.00 64.21 62.74 1tus n SER 26 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1tus n ASP 27 N 0.56 3.21 -2.25 6.43 5.75 -1.26 -4.94 116.55 124.06 1tus n ASP 27 Ca 0.25 -1.97 -0.14 0.00 -0.01 0.00 0.00 54.79 52.91 1tus n ASP 27 Cb 1.09 -0.30 0.04 0.00 -1.03 0.00 0.00 41.12 40.92 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 0.91 -4.57 -3.85 -1.12 5.03 -1.26 -5.02 115.26 105.38 1tus n ASN 28 Ca 0.16 -0.28 -0.13 0.00 0.87 0.00 0.00 54.58 55.19 1tus n ASN 28 Cb 0.49 -3.24 -0.14 0.00 -1.02 0.00 0.00 39.78 35.86 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 -5.64 0.00 0.46 3.52 -0.14 -1.26 -5.03 119.74 111.66 1tus s LYS 29 Ca 0.31 0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.74 1tus s LYS 29 Cb -0.14 -0.07 -0.08 0.00 -1.68 0.00 0.00 37.83 35.87 1tus s LYS 29 CO 0.38 -0.04 1.10 0.99 -0.76 0.00 0.00 175.35 177.02 1tus s THR 30 N 0.26 3.45 -0.12 2.17 2.01 -1.26 -1.08 115.64 121.05 1tus s THR 30 Ca -0.02 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.02 1tus s THR 30 Cb -0.03 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1tus s THR 30 CO -0.01 -0.08 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.35 1tus s TYR 31 N -1.71 2.31 0.07 4.92 2.02 -0.28 -4.90 117.35 119.78 1tus s TYR 31 Ca 0.64 -1.14 -0.24 0.00 -0.37 0.00 0.00 57.07 55.97 1tus s TYR 31 Cb -0.23 -1.62 -0.16 0.00 -0.40 0.00 0.00 41.96 39.55 1tus s TYR 31 CO 0.28 -0.55 1.67 0.78 -1.57 0.00 0.00 175.55 176.16 1tus h GLY 32 N 7.39 -0.04 -1.18 0.71 0.00 -1.87 -2.50 103.07 105.58 1tus h GLY 32 Ca -0.32 0.01 -0.59 0.00 0.00 0.00 0.00 47.33 46.43 1tus h GLY 32 CO 0.52 -0.01 -0.55 0.54 0.00 0.00 0.00 176.54 177.04 1tus s ASN 33 N -5.23 3.28 0.43 0.19 2.20 -1.23 -2.04 114.94 112.54 1tus s ASN 33 Ca -0.14 -1.57 0.30 0.00 -0.94 0.00 0.00 52.86 50.51 1tus s ASN 33 Cb 0.05 0.26 1.26 0.00 -2.00 0.00 0.00 41.25 40.82 1tus s ASN 33 CO 0.66 -0.77 1.88 0.50 -2.94 0.00 0.00 177.10 176.43 1tus h LYS 34 N 1.71 0.00 0.16 3.55 3.64 -1.81 -1.60 116.57 122.23 1tus h LYS 34 Ca -0.40 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1tus h LYS 34 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1tus h LYS 34 CO 0.68 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 177.79 1tus h ASN 36 N -0.26 0.00 0.23 0.00 -0.26 -1.72 -2.82 115.58 110.75 1tus h ASN 36 Ca -0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1tus h ASN 36 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1tus h ASN 36 CO 0.04 0.13 -0.11 0.15 -1.06 0.00 0.00 177.43 176.58 1tus h PHE 37 N 0.00 -0.28 0.00 1.19 3.57 -1.19 -2.67 116.94 117.55 1tus h PHE 37 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1tus h PHE 37 Cb 1.10 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1tus h PHE 37 CO 0.00 -0.17 -0.25 0.00 -2.23 0.00 0.00 178.31 175.66 1tus h ASN 39 N 0.00 0.41 0.74 0.00 2.35 -1.60 0.11 115.58 117.58 1tus h ASN 39 Ca -0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1tus h ASN 39 Cb 0.44 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1tus h ASN 39 CO 0.03 0.57 -0.20 0.00 -1.65 0.00 0.00 177.43 176.19 1tus h ALA 40 N 1.47 1.10 0.00 -0.83 0.00 -0.09 -2.01 119.26 118.89 1tus h ALA 40 Ca 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1tus h ALA 40 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1tus h ALA 40 CO 0.03 0.25 -0.69 0.28 0.00 0.00 0.00 179.25 179.11 1tus h VAL 41 N 0.00 0.52 0.00 0.00 2.07 -0.65 -2.68 116.25 115.52 1tus h VAL 41 Ca -0.00 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1tus h VAL 41 Cb 0.62 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1tus h VAL 41 CO 0.03 0.18 -0.04 -0.37 0.02 0.00 0.00 177.57 177.39 1tus h VAL 42 N -1.00 0.33 0.06 2.57 -1.51 -1.02 -0.73 116.25 114.95 1tus h VAL 42 Ca -0.14 -0.20 -0.27 0.00 -1.23 0.00 0.00 66.70 64.86 1tus h VAL 42 Cb 0.80 1.15 0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1tus h VAL 42 CO -0.08 0.04 -1.11 -0.33 -1.23 0.00 0.00 177.57 174.85 1tus h GLU 43 N 0.00 0.53 0.00 5.19 3.07 -1.51 -2.54 114.58 119.32 1tus h GLU 43 Ca -0.00 -0.65 0.00 0.00 -0.50 0.00 0.00 59.36 58.21 1tus h GLU 43 Cb 0.14 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1tus h GLU 43 CO 0.00 1.27 0.00 0.66 -1.40 0.00 0.00 179.01 179.54 1tus h SER 44 N 0.26 0.00 -3.66 1.42 4.64 -0.79 -3.46 113.55 111.96 1tus h SER 44 Ca -0.14 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.97 1tus h SER 44 Cb 1.78 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.95 1tus h SER 44 CO 0.20 0.00 -0.37 -3.20 -0.87 0.00 0.00 176.83 172.59 1tus n ASN 45 N -3.08 -3.99 -2.64 4.97 2.85 -0.86 -4.50 115.26 108.02 1tus n ASN 45 Ca -0.02 -0.30 -0.01 0.00 -0.11 0.00 0.00 54.58 54.14 1tus n ASN 45 Cb 0.12 -2.94 0.00 0.00 1.24 0.00 0.00 39.78 38.20 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 -1.28 -3.67 0.08 8.20 0.00 -1.00 -4.96 105.19 102.57 1tus n GLY 46 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.47 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 116.75 1tus n THR 47 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1tus n THR 47 Cb 0.08 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.98 0.10 -0.98 1.09 0.00 -1.26 -4.99 117.00 109.98 1tus n LEU 48 Ca 0.00 0.76 0.12 0.00 0.00 0.00 0.00 56.01 56.89 1tus n LEU 48 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 43.42 43.05 1tus n LEU 48 CO 0.00 -0.30 -0.44 0.41 0.00 0.00 0.00 177.39 177.06 1tus n THR 49 N -1.41 -0.64 -2.13 1.96 -1.04 -1.26 -4.11 114.28 105.65 1tus n THR 49 Ca 0.00 0.65 -0.29 0.00 -2.04 0.00 0.00 64.05 62.36 1tus n THR 49 Cb 0.00 -0.97 0.02 0.00 -1.82 0.00 0.00 70.33 67.56 1tus n THR 49 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1tus s LEU 50 N -6.22 3.23 -0.09 -4.42 2.96 -1.26 -0.78 118.68 112.09 1tus s LEU 50 Ca 0.00 1.11 -0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1tus s LEU 50 Cb 0.00 -4.03 -0.06 0.00 0.50 0.00 0.00 46.19 42.60 1tus s LEU 50 CO 0.00 -0.97 -0.09 -0.24 -1.32 0.00 0.00 176.35 173.74 1tus n SER 51 N -2.68 2.91 -3.59 3.68 2.88 -1.02 -4.71 113.62 111.09 1tus n SER 51 Ca 0.05 -0.02 0.01 0.00 -1.33 0.00 0.00 58.87 57.58 1tus n SER 51 Cb 0.56 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 1tus n SER 51 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1tus s HIS 52 N -2.18 -0.03 -0.36 0.66 0.00 -1.25 -5.02 115.29 107.11 1tus s HIS 52 Ca -0.13 -0.01 0.06 0.00 -3.00 0.00 0.00 55.06 51.99 1tus s HIS 52 Cb 0.03 0.52 0.56 0.00 -4.00 0.00 0.00 32.58 29.69 1tus s HIS 52 CO 0.21 -0.13 1.64 1.19 -1.00 0.00 0.00 174.74 176.64 1tus n PHE 53 N -0.39 1.91 -0.01 0.38 3.01 -1.26 -1.73 117.46 119.37 1tus n PHE 53 Ca -0.06 -1.79 0.00 0.00 1.01 0.00 0.00 57.45 56.61 1tus n PHE 53 Cb 0.62 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.11 1.28 2.41 1.37 0.00 -1.26 -4.64 105.19 103.24 1tus n GLY 54 Ca 0.44 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1tus n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tus n LYS 55 N 0.00 1.73 -0.57 1.61 2.85 -1.26 -2.34 118.16 120.18 1tus n LYS 55 Ca 0.00 -3.92 0.00 0.00 -1.05 0.00 0.00 58.31 53.34 1tus n LYS 55 Cb 0.00 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35