#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 0.04 -2.86 1.96 0.00 -1.26 -5.06 120.51 113.33 1tus n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 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 -1.93 -2.67 -2.50 0.00 0.00 -1.26 -4.80 120.51 107.35 1tus n ALA 3 Ca 0.00 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 1tus n ALA 3 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 1tus n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1tus s VAL 4 N -2.78 3.95 0.33 0.00 -7.23 -1.26 -4.90 120.40 108.50 1tus s VAL 4 Ca 0.10 -1.22 0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1tus s VAL 4 Cb -0.03 -5.02 -0.01 0.00 0.56 0.00 0.00 36.38 31.88 1tus s VAL 4 CO 0.70 -1.85 0.14 -0.24 -0.31 0.00 0.00 175.10 173.54 1tus n SER 5 N 9.37 0.85 -3.77 4.85 2.88 -1.26 -4.67 113.62 121.88 1tus n SER 5 Ca 0.41 -2.81 -0.13 0.00 -1.33 0.00 0.00 58.87 55.02 1tus n SER 5 Cb 0.48 0.95 -0.13 0.00 -0.75 0.00 0.00 64.21 64.77 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 -2.88 -0.02 -0.62 2.46 1.01 -1.26 -5.04 120.40 114.05 1tus s VAL 6 Ca 0.20 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1tus s VAL 6 Cb 0.01 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.23 1tus s VAL 6 CO 0.14 0.03 0.58 -0.62 0.00 0.00 0.00 175.10 175.24 1tus s ASP 7 N 0.70 6.34 -0.16 3.32 -1.08 -1.26 -4.86 116.67 119.67 1tus s ASP 7 Ca -0.05 -2.01 0.15 0.00 -0.52 0.00 0.00 52.55 50.13 1tus s ASP 7 Cb -0.06 -2.22 0.43 0.00 -1.46 0.00 0.00 42.92 39.61 1tus s ASP 7 CO -0.04 -0.80 1.20 0.00 0.52 0.00 0.00 175.17 176.05 1tus n SER 9 N -0.65 7.96 0.00 0.00 2.88 -1.26 -3.00 113.62 119.55 1tus n SER 9 Ca 0.17 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1tus n SER 9 Cb 0.83 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1tus n SER 9 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1tus n GLU 10 N 2.40 0.00 -0.65 -1.46 4.07 -1.26 -5.13 120.64 118.62 1tus n GLU 10 Ca 0.65 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.44 1tus n GLU 10 Cb 0.25 0.00 0.18 0.00 -0.06 0.00 0.00 31.44 31.81 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 -0.08 -0.10 -2.68 4.31 4.02 -1.16 -4.56 117.16 116.91 1tus n TYR 11 Ca 0.00 0.24 -0.40 0.00 -0.01 0.00 0.00 57.90 57.73 1tus n TYR 11 Cb 0.00 -1.88 -0.05 0.00 -0.02 0.00 0.00 39.34 37.39 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 -4.35 4.76 0.66 -0.72 0.04 -1.26 -4.88 135.00 129.25 1tus s PRO 12 Ca 0.65 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 1tus s PRO 12 Cb -0.23 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.08 1tus s PRO 12 CO 0.62 0.36 0.94 0.15 0.04 0.00 0.00 177.00 179.10 1tus s LYS 13 N -0.85 2.26 0.15 4.56 1.02 -1.26 -5.01 119.74 120.60 1tus s LYS 13 Ca 0.44 -0.46 0.23 0.00 0.02 0.00 0.00 55.97 56.19 1tus s LYS 13 Cb -0.27 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1tus s LYS 13 CO 0.33 -1.09 0.99 -0.35 -0.92 0.00 0.00 175.35 174.31 1tus n PRO 14 N -2.74 0.54 -0.05 -1.68 -0.05 -1.26 -5.01 135.00 124.75 1tus n PRO 14 Ca 0.08 0.06 -0.01 0.00 -0.05 0.00 0.00 63.50 63.58 1tus n PRO 14 Cb 0.60 -1.75 0.01 0.00 -0.05 0.00 0.00 33.50 32.32 1tus n PRO 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1tus n ALA 15 N -2.11 -0.14 -1.37 0.55 0.00 -1.26 -4.93 120.51 111.25 1tus n ALA 15 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1tus n ALA 15 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.86 0.00 0.12 0.00 5.66 -1.26 -5.14 114.28 112.79 1tus n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tus n THR 17 Cb 0.00 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1tus n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tus n LEU 18 N 0.00 -2.10 -4.82 1.09 -0.00 -1.26 -5.18 117.00 104.73 1tus n LEU 18 Ca -0.04 0.62 -0.32 0.00 -0.00 0.00 0.00 56.01 56.27 1tus n LEU 18 Cb 0.28 2.16 0.02 0.00 -0.00 0.00 0.00 43.42 45.89 1tus n LEU 18 CO -0.02 0.11 0.71 -0.70 -0.00 0.00 0.00 177.39 177.49 1tus s GLU 19 N -1.81 3.25 0.40 1.47 2.12 -1.26 -4.91 118.70 117.95 1tus s GLU 19 Ca 0.00 1.01 -0.23 0.00 0.36 0.00 0.00 54.97 56.11 1tus s GLU 19 Cb 0.00 -2.03 -0.10 0.00 0.26 0.00 0.00 34.13 32.26 1tus s GLU 19 CO 0.00 -0.86 0.97 -0.47 -0.54 0.00 0.00 175.26 174.36 1tus s TYR 20 N -2.82 3.40 0.00 5.30 6.14 -1.26 -4.49 117.35 123.62 1tus s TYR 20 Ca 0.60 1.67 0.00 0.00 0.64 0.00 0.00 57.07 59.97 1tus s TYR 20 Cb -0.14 -2.93 0.00 0.00 0.42 0.00 0.00 41.96 39.31 1tus s TYR 20 CO 0.46 -0.14 0.00 2.89 0.64 0.00 0.00 175.55 179.40 1tus n ARG 21 N -0.21 0.00 -2.87 4.97 -4.01 -0.86 -4.99 116.66 108.69 1tus n ARG 21 Ca 0.05 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.45 1tus n ARG 21 Cb 0.52 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.90 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 -0.49 4.43 0.01 2.89 0.04 -1.20 -3.64 135.00 137.04 1tus s PRO 22 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1tus s PRO 22 Cb 0.00 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1tus s PRO 22 CO 0.00 -0.12 0.00 1.28 0.04 0.00 0.00 177.00 178.21 1tus n LEU 23 N 4.35 0.00 -4.26 -3.56 4.32 -0.98 -2.32 117.00 114.54 1tus n LEU 23 Ca 0.03 -0.04 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 1tus n LEU 23 Cb 0.50 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.16 1tus n LEU 23 CO 0.49 -0.22 -0.53 0.00 -1.22 0.00 0.00 177.39 175.92 1tus s GLY 25 N -1.26 1.72 -0.67 0.00 0.00 -0.20 -2.41 107.32 104.51 1tus s GLY 25 Ca 0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 1tus s GLY 25 CO 0.02 -0.33 2.09 1.44 0.00 0.00 0.00 173.10 176.32 1tus n SER 26 N -3.76 7.43 -0.07 1.64 7.64 -0.24 -4.04 113.62 122.22 1tus n SER 26 Ca 0.13 -3.68 0.01 0.00 1.01 0.00 0.00 58.87 56.35 1tus n SER 26 Cb 0.60 -1.04 0.02 0.00 -1.01 0.00 0.00 64.21 62.78 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 -0.52 1.05 -1.59 6.43 5.75 -1.26 -4.86 116.55 121.54 1tus n ASP 27 Ca 0.55 -1.76 -0.11 0.00 -0.01 0.00 0.00 54.79 53.46 1tus n ASP 27 Cb 0.51 -0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.37 -3.85 -3.80 -1.12 3.02 -1.26 -5.01 115.26 102.88 1tus n ASN 28 Ca 0.02 -0.12 -0.18 0.00 -0.03 0.00 0.00 54.58 54.27 1tus n ASN 28 Cb 0.45 -2.82 -0.17 0.00 -0.61 0.00 0.00 39.78 36.63 1tus n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1tus s LYS 29 N -5.00 0.33 0.71 3.52 -0.14 -1.26 -5.04 119.74 112.85 1tus s LYS 29 Ca 0.12 0.11 -0.14 0.00 -1.36 0.00 0.00 55.97 54.70 1tus s LYS 29 Cb -0.05 -0.58 0.03 0.00 -1.68 0.00 0.00 37.83 35.55 1tus s LYS 29 CO 0.15 -0.18 1.14 0.99 -0.76 0.00 0.00 175.35 176.69 1tus s THR 30 N 1.30 2.86 -0.04 2.17 2.01 -1.26 -1.03 115.64 121.64 1tus s THR 30 Ca -0.06 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1tus s THR 30 Cb -0.13 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1tus s THR 30 CO -0.02 -0.26 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.31 1tus s TYR 31 N -2.30 0.63 0.09 4.92 2.02 -0.53 -4.79 117.35 117.39 1tus s TYR 31 Ca 0.69 -0.15 -0.22 0.00 -0.37 0.00 0.00 57.07 57.01 1tus s TYR 31 Cb -0.23 -0.61 -0.13 0.00 -0.40 0.00 0.00 41.96 40.58 1tus s TYR 31 CO 0.45 -0.19 1.70 0.78 -1.57 0.00 0.00 175.55 176.72 1tus h GLY 32 N 7.31 0.09 0.00 0.71 0.00 -1.87 -2.61 103.07 106.71 1tus h GLY 32 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1tus h GLY 32 CO 0.45 0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.73 1tus n ASN 33 N -5.01 1.38 0.06 0.19 3.02 -1.24 -2.02 115.26 111.64 1tus n ASN 33 Ca -0.06 -0.94 -0.03 0.00 -0.03 0.00 0.00 54.58 53.52 1tus n ASN 33 Cb 0.06 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.45 1tus n ASN 33 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1tus h LYS 34 N 0.00 0.34 0.00 3.52 1.63 -1.79 -1.94 116.57 118.33 1tus h LYS 34 Ca 0.00 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 1tus h LYS 34 Cb 0.00 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1tus h LYS 34 CO 0.00 0.65 -0.28 0.00 -3.45 0.00 0.00 179.45 176.37 1tus h ASN 36 N 0.00 0.00 0.34 0.00 -0.26 -1.93 -2.89 115.58 110.84 1tus h ASN 36 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1tus h ASN 36 Cb 1.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1tus h ASN 36 CO 0.01 0.54 -0.17 0.15 -1.06 0.00 0.00 177.43 176.91 1tus h PHE 37 N 0.00 -0.43 -0.35 1.19 3.57 -1.21 -2.28 116.94 117.43 1tus h PHE 37 Ca -0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1tus h PHE 37 Cb 1.54 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 1tus h PHE 37 CO 0.00 -0.27 0.17 0.00 -2.23 0.00 0.00 178.31 175.98 1tus h ASN 39 N 0.48 0.04 -0.28 0.00 2.35 -1.58 -1.38 115.58 115.20 1tus h ASN 39 Ca 0.12 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1tus h ASN 39 Cb 0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1tus h ASN 39 CO -0.02 0.60 0.13 0.00 -1.65 0.00 0.00 177.43 176.49 1tus h ALA 40 N 1.40 1.62 0.05 -0.83 0.00 -0.32 -1.75 119.26 119.44 1tus h ALA 40 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tus h ALA 40 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tus h ALA 40 CO 0.08 0.30 -0.02 0.28 0.00 0.00 0.00 179.25 179.88 1tus h VAL 41 N 0.46 1.20 0.00 0.00 2.07 -0.59 -1.56 116.25 117.82 1tus h VAL 41 Ca 0.11 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1tus h VAL 41 Cb 0.09 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1tus h VAL 41 CO -0.01 0.36 -0.10 -0.37 0.02 0.00 0.00 177.57 177.47 1tus h VAL 42 N -0.89 0.99 -0.34 2.57 -1.51 -1.24 -1.07 116.25 114.77 1tus h VAL 42 Ca -0.01 -0.35 -0.17 0.00 -1.23 0.00 0.00 66.70 64.95 1tus h VAL 42 Cb 0.65 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1tus h VAL 42 CO 0.01 0.10 -0.45 -0.33 -1.23 0.00 0.00 177.57 175.67 1tus h GLU 43 N 0.00 0.87 0.00 5.19 3.07 -1.39 -2.16 114.58 120.17 1tus h GLU 43 Ca -0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1tus h GLU 43 Cb 0.18 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1tus h GLU 43 CO 0.01 1.14 0.00 0.66 -1.40 0.00 0.00 179.01 179.42 1tus h SER 44 N 0.70 0.00 -2.95 1.42 4.64 -0.13 -3.46 113.55 113.77 1tus h SER 44 Ca 0.04 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.11 1tus h SER 44 Cb 1.04 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1tus h SER 44 CO 0.10 0.00 -0.37 -3.20 -0.87 0.00 0.00 176.83 172.49 1tus n ASN 45 N -2.54 -4.36 -1.66 4.97 4.05 -0.81 -4.46 115.26 110.44 1tus n ASN 45 Ca -0.01 -0.18 -0.01 0.00 0.45 0.00 0.00 54.58 54.83 1tus n ASN 45 Cb 0.09 -3.23 0.00 0.00 1.23 0.00 0.00 39.78 37.87 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1tus n GLY 46 N -1.23 -0.91 0.00 8.20 0.00 -1.24 -5.00 105.19 105.00 1tus n GLY 46 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.44 0.00 0.00 2.61 5.66 -1.26 -5.08 114.28 115.77 1tus n THR 47 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1tus n THR 47 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -0.92 1.66 -1.44 1.09 0.00 -1.26 -5.00 117.00 111.13 1tus n LEU 48 Ca 0.00 0.07 0.18 0.00 0.00 0.00 0.00 56.01 56.26 1tus n LEU 48 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1tus n LEU 48 CO 0.00 0.00 -0.57 0.35 0.00 0.00 0.00 177.39 177.17 1tus n THR 49 N -0.35 -0.62 -2.00 1.96 -2.24 -1.26 -4.06 114.28 105.71 1tus n THR 49 Ca 0.00 0.79 -0.30 0.00 -2.27 0.00 0.00 64.05 62.26 1tus n THR 49 Cb 0.00 -1.27 0.01 0.00 -2.10 0.00 0.00 70.33 66.97 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 -7.21 3.30 -0.09 3.22 2.96 -1.26 -1.07 118.68 118.53 1tus s LEU 50 Ca 0.00 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 1tus s LEU 50 Cb 0.00 -4.38 -0.06 0.00 0.50 0.00 0.00 46.19 42.25 1tus s LEU 50 CO 0.00 -0.82 -0.08 -0.24 -1.32 0.00 0.00 176.35 173.89 1tus n SER 51 N -2.64 3.30 -3.60 3.68 2.88 -1.01 -4.70 113.62 111.52 1tus n SER 51 Ca 0.05 -0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1tus n SER 51 Cb 0.54 -0.13 -0.02 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 -0.11 -0.30 0.66 0.00 -1.25 -4.96 115.29 107.16 1tus s HIS 52 Ca -0.12 0.06 0.11 0.00 -3.00 0.00 0.00 55.06 52.11 1tus s HIS 52 Cb 0.03 0.51 0.77 0.00 -4.00 0.00 0.00 32.58 29.90 1tus s HIS 52 CO 0.21 -0.18 1.79 1.19 -1.00 0.00 0.00 174.74 176.75 1tus n PHE 53 N -0.10 2.33 -4.31 0.38 3.01 -1.26 -2.22 117.46 115.29 1tus n PHE 53 Ca 0.01 -1.06 -0.16 0.00 1.01 0.00 0.00 57.45 57.25 1tus n PHE 53 Cb 0.58 -0.63 -0.03 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.08 3.80 3.48 1.37 0.00 -1.19 -4.47 105.19 108.25 1tus n GLY 54 Ca 0.37 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.91 -1.09 0.00 1.61 1.02 -0.98 -1.44 119.74 115.94 1tus s LYS 55 Ca 0.01 0.77 0.30 0.00 0.02 0.00 0.00 55.97 57.08 1tus s LYS 55 Cb -0.00 -1.54 1.56 0.00 -0.52 0.00 0.00 37.83 37.33 1tus s LYS 55 CO 0.01 -3.82 2.03 0.00 -0.92 0.00 0.00 175.35 172.65