#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.00 0.66 1.24 1.16 -1.26 -4.82 117.46 114.44 1uua n PHE 2 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.70 1uua n PHE 2 Cb 0.00 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.04 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N -1.96 0.00 -4.92 0.00 4.77 -1.26 -4.42 117.00 109.21 1uua n LEU 4 Ca 0.04 0.43 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 1uua n LEU 4 Cb 0.42 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1uua n LEU 4 CO 0.36 -0.02 0.07 -1.61 -1.33 0.00 0.00 177.39 174.86 1uua s GLU 5 N -2.85 3.56 1.01 3.23 0.41 -1.25 -4.59 118.70 118.21 1uua s GLU 5 Ca 0.18 -0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.40 1uua s GLU 5 Cb 0.19 -2.79 0.19 0.00 -1.78 0.00 0.00 34.13 29.93 1uua s GLU 5 CO 0.49 0.37 1.08 -2.14 -0.49 0.00 0.00 175.26 174.56 1uua s PRO 6 N -3.28 0.36 0.13 0.39 0.02 -1.26 -4.81 135.00 126.54 1uua s PRO 6 Ca 0.40 0.81 -0.31 0.00 0.02 0.00 0.00 61.00 61.92 1uua s PRO 6 Cb -0.11 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 1uua s PRO 6 CO 0.29 -2.86 1.79 -1.25 -0.33 0.00 0.00 177.00 174.64 1uua s PRO 7 N -4.78 4.14 0.00 5.54 0.04 -1.26 -4.91 135.00 133.77 1uua s PRO 7 Ca 0.66 2.57 0.19 0.00 0.04 0.00 0.00 61.00 64.46 1uua s PRO 7 Cb -0.21 -3.51 0.53 0.00 0.04 0.00 0.00 34.50 31.35 1uua s PRO 7 CO 0.59 -0.82 1.43 0.98 0.04 0.00 0.00 177.00 179.23 1uua n TYR 8 N 5.39 0.51 0.05 0.56 9.36 -1.26 -4.35 117.16 127.42 1uua n TYR 8 Ca 0.17 -0.25 0.03 0.00 3.32 0.00 0.00 57.90 61.17 1uua n TYR 8 Cb 0.38 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 39.24 1uua n TYR 8 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1uua n THR 9 N 0.93 1.34 -3.28 2.97 -1.04 -1.26 -4.74 114.28 109.20 1uua n THR 9 Ca 0.17 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.76 1uua n THR 9 Cb 0.44 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1uua n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uua n GLY 10 N -1.36 0.89 1.48 3.41 0.00 -1.26 -2.83 105.19 105.52 1uua n GLY 10 Ca -0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 0.00 1.36 -0.02 1.61 -0.05 -1.26 -4.37 135.00 132.27 1uua n PRO 11 Ca 0.00 -0.79 -0.01 0.00 -0.05 0.00 0.00 63.50 62.65 1uua n PRO 11 Cb 0.00 -1.31 -0.00 0.00 -0.05 0.00 0.00 33.50 32.14 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua n LYS 13 N -3.01 -3.23 0.00 0.00 4.01 -1.26 -5.09 118.16 109.58 1uua n LYS 13 Ca -0.02 2.59 0.00 0.00 -0.51 0.00 0.00 58.31 60.37 1uua n LYS 13 Cb 0.07 -4.20 0.00 0.00 -0.51 0.00 0.00 35.03 30.39 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uua n ALA 14 N 1.03 0.00 -1.99 7.82 0.00 -1.26 -5.03 120.51 121.07 1uua n ALA 14 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.26 1uua n ALA 14 Cb 0.33 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.83 1uua n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uua n ARG 15 N 0.00 0.34 -3.73 0.00 -4.01 -1.26 -5.00 116.66 102.99 1uua n ARG 15 Ca 0.00 -1.78 -0.29 0.00 -1.04 0.00 0.00 57.85 54.74 1uua n ARG 15 Cb 0.00 -0.59 -0.15 0.00 -3.04 0.00 0.00 32.46 28.68 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1uua s ILE 16 N -0.73 0.79 0.23 8.89 1.01 -1.26 -5.04 121.20 125.09 1uua s ILE 16 Ca 0.19 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1uua s ILE 16 Cb 0.20 -1.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 1uua s ILE 16 CO -0.06 -0.56 0.54 -0.63 0.00 0.00 0.00 174.94 174.24 1uua s ILE 17 N 1.68 4.95 0.00 2.92 1.09 -1.26 0.16 121.20 130.74 1uua s ILE 17 Ca 0.07 0.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.04 1uua s ILE 17 Cb -0.17 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.60 1uua s ILE 17 CO -0.22 -0.09 0.00 0.54 -0.10 0.00 0.00 174.94 175.08 1uua n ARG 18 N -0.20 0.00 -3.99 2.79 1.74 0.99 -4.88 116.66 113.12 1uua n ARG 18 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1uua n ARG 18 Cb 0.52 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.80 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uua s TYR 19 N -1.30 2.32 0.00 -1.55 1.51 0.16 0.11 117.35 118.60 1uua s TYR 19 Ca 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 1uua s TYR 19 Cb 0.00 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1uua s TYR 19 CO 0.00 -0.72 0.00 1.97 -1.11 0.00 0.00 175.55 175.69 1uua n PHE 20 N 4.71 -1.51 -3.75 2.71 -1.74 0.41 -1.20 117.46 117.10 1uua n PHE 20 Ca -0.15 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.59 1uua n PHE 20 Cb 0.47 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.31 1uua n PHE 20 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1uua s TYR 21 N 0.63 0.01 -0.32 2.97 5.04 -1.26 -0.51 117.35 123.91 1uua s TYR 21 Ca 0.00 0.20 -0.17 0.00 -2.44 0.00 0.00 57.07 54.65 1uua s TYR 21 Cb 0.00 -0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.03 1uua s TYR 21 CO 0.00 -0.12 0.48 -0.80 -1.34 0.00 0.00 175.55 173.78 1uua s ASN 22 N 1.28 6.32 -0.00 4.32 0.01 -0.97 -4.72 114.94 121.19 1uua s ASN 22 Ca -0.07 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1uua s ASN 22 Cb -0.13 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1uua s ASN 22 CO -0.03 -0.38 0.84 0.00 -1.51 0.00 0.00 177.10 176.02 1uua n ALA 23 N 5.61 2.51 -0.08 0.60 0.00 -1.26 -0.99 120.51 126.90 1uua n ALA 23 Ca -0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1uua n ALA 23 Cb 0.49 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 1uua n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 24 N -0.29 0.68 -0.07 0.00 4.76 -1.26 -4.69 118.16 117.28 1uua n LYS 24 Ca 0.01 0.12 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 1uua n LYS 24 Cb 0.10 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uua n ALA 25 N -2.85 1.96 0.00 7.82 0.00 -1.16 -5.07 120.51 121.22 1uua n ALA 25 Ca -0.32 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1uua n ALA 25 Cb 1.09 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.82 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 2.27 3.66 3.78 0.00 0.00 -0.16 -5.10 105.19 109.63 1uua n GLY 26 Ca -0.28 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1uua n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uua s LEU 27 N 0.00 3.16 -0.29 0.99 0.05 -1.26 -4.74 118.68 116.59 1uua s LEU 27 Ca 0.00 1.83 -0.14 0.00 0.05 0.00 0.00 54.13 55.87 1uua s LEU 27 Cb 0.00 -4.52 -0.04 0.00 -2.05 0.00 0.00 46.19 39.58 1uua s LEU 27 CO 0.00 -1.80 0.31 0.00 -0.55 0.00 0.00 176.35 174.31 1uua n GLN 29 N 5.25 2.76 -4.29 0.00 0.00 0.33 -4.87 117.38 116.55 1uua n GLN 29 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.63 1uua n GLN 29 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.66 1uua n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1uua s THR 30 N 1.46 3.20 -0.03 1.69 -4.23 -1.25 -0.44 115.64 116.04 1uua s THR 30 Ca 0.00 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.53 1uua s THR 30 Cb 0.00 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1uua s THR 30 CO 0.00 -0.13 0.70 0.72 -0.54 0.00 0.00 174.62 175.37 1uua s PHE 31 N -1.75 -0.62 0.05 3.99 -0.71 0.12 -4.72 117.98 114.34 1uua s PHE 31 Ca 0.25 0.98 -0.22 0.00 -1.04 0.00 0.00 56.93 56.90 1uua s PHE 31 Cb -0.09 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1uua s PHE 31 CO 0.15 -0.62 0.66 0.08 -1.34 0.00 0.00 175.22 174.16 1uua s VAL 32 N -1.53 4.75 -0.38 -2.49 1.01 -1.26 0.33 120.40 120.83 1uua s VAL 32 Ca -0.09 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.18 1uua s VAL 32 Cb -0.00 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1uua s VAL 32 CO 0.06 0.44 0.24 -0.47 0.00 0.00 0.00 175.10 175.38 1uua s TYR 33 N -0.46 3.23 0.09 5.22 5.04 0.43 -4.76 117.35 126.15 1uua s TYR 33 Ca 0.33 -0.69 0.01 0.00 -2.44 0.00 0.00 57.07 54.28 1uua s TYR 33 Cb -0.20 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.58 1uua s TYR 33 CO 0.20 -0.57 0.23 0.20 -1.34 0.00 0.00 175.55 174.27 1uua s GLY 34 N 1.63 2.04 -0.33 8.97 0.00 -1.26 -4.48 107.32 113.88 1uua s GLY 34 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1uua s GLY 34 CO 0.08 -0.89 1.76 0.61 0.00 0.00 0.00 173.10 174.66 1uua n GLY 35 N 0.03 3.97 0.13 0.20 0.00 -1.26 -3.74 105.19 104.52 1uua n GLY 35 Ca -0.06 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua n ARG 37 N -3.36 0.00 -1.81 0.00 1.74 -1.26 -5.17 116.66 106.80 1uua n ARG 37 Ca -0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1uua n ARG 37 Cb 1.02 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 32.20 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uua n ALA 38 N -2.77 -2.00 -3.18 7.54 0.00 -1.25 -5.10 120.51 113.74 1uua n ALA 38 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 1uua n ALA 38 Cb 0.26 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1uua n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 39 N -0.36 0.20 -2.18 0.00 4.76 -1.26 -5.07 118.16 114.24 1uua n LYS 39 Ca 0.00 -0.27 -0.37 0.00 -2.87 0.00 0.00 58.31 54.80 1uua n LYS 39 Cb 0.00 0.20 0.03 0.00 -1.84 0.00 0.00 35.03 33.42 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1uua n ARG 40 N -0.05 3.33 -3.40 1.97 1.74 -1.26 -4.84 116.66 114.15 1uua n ARG 40 Ca 0.00 -3.95 -0.21 0.00 -0.77 0.00 0.00 57.85 52.93 1uua n ARG 40 Cb 0.05 -2.30 -0.09 0.00 -1.02 0.00 0.00 32.46 29.10 1uua n ARG 40 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1uua s ASN 41 N -1.68 1.78 -0.20 0.55 3.04 -1.26 -4.45 114.94 112.73 1uua s ASN 41 Ca 0.49 -1.69 -0.12 0.00 0.04 0.00 0.00 52.86 51.58 1uua s ASN 41 Cb 0.39 0.26 0.06 0.00 -1.54 0.00 0.00 41.25 40.42 1uua s ASN 41 CO -0.32 -0.29 0.48 0.20 -3.04 0.00 0.00 177.10 174.14 1uua s ASN 42 N 1.41 -0.61 -0.03 -4.21 -0.87 -1.26 -4.89 114.94 104.48 1uua s ASN 42 Ca 0.16 1.04 0.01 0.00 -1.57 0.00 0.00 52.86 52.51 1uua s ASN 42 Cb -0.17 0.94 0.02 0.00 -0.02 0.00 0.00 41.25 42.01 1uua s ASN 42 CO -0.05 -0.20 -0.05 -0.36 -2.57 0.00 0.00 177.10 173.87 1uua s PHE 43 N 1.28 0.69 -1.87 2.20 0.40 -0.34 -4.95 117.98 115.39 1uua s PHE 43 Ca -0.08 -0.17 0.24 0.00 -0.60 0.00 0.00 56.93 56.32 1uua s PHE 43 Cb -0.07 -0.59 0.34 0.00 0.51 0.00 0.00 43.02 43.21 1uua s PHE 43 CO -0.12 -0.14 1.30 1.63 0.70 0.00 0.00 175.22 178.59 1uua n LYS 44 N 3.77 0.99 -4.03 0.44 4.76 -1.26 0.38 118.16 123.21 1uua n LYS 44 Ca -0.23 -0.73 -0.13 0.00 -2.87 0.00 0.00 58.31 54.35 1uua n LYS 44 Cb 0.52 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1uua s SER 45 N -2.51 0.42 0.02 4.39 0.01 -1.26 -4.96 113.70 109.81 1uua s SER 45 Ca 0.21 -0.21 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 1uua s SER 45 Cb 0.19 -0.00 -0.17 0.00 0.21 0.00 0.00 66.02 66.24 1uua s SER 45 CO 0.56 -0.06 1.32 0.00 0.41 0.00 0.00 173.24 175.47 1uua h ALA 46 N 5.58 -0.31 -0.96 1.44 0.00 -1.97 -0.54 119.26 122.50 1uua h ALA 46 Ca -0.29 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.56 1uua h ALA 46 Cb 1.20 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1uua h ALA 46 CO 0.47 -0.52 0.61 1.49 0.00 0.00 0.00 179.25 181.31 1uua h GLU 47 N -0.62 0.92 -0.07 0.00 4.81 -1.98 0.22 114.58 117.85 1uua h GLU 47 Ca -0.03 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 1uua h GLU 47 Cb 0.45 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1uua h GLU 47 CO 0.05 0.61 -0.82 0.22 -0.73 0.00 0.00 179.01 178.34 1uua h ASP 48 N 0.95 0.63 0.26 1.04 1.82 -1.99 -0.25 116.42 118.88 1uua h ASP 48 Ca 0.47 -0.44 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 1uua h ASP 48 Cb 0.47 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1uua h ASP 48 CO -0.23 1.22 -0.17 0.00 -1.61 0.00 0.00 179.24 178.45 1uua h MET 50 N 0.00 0.08 -1.00 0.00 2.86 -0.43 0.41 114.93 116.84 1uua h MET 50 Ca -0.00 -0.13 0.22 0.00 -2.06 0.00 0.00 59.70 57.72 1uua h MET 50 Cb 0.34 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 1uua h MET 50 CO 0.02 1.06 0.62 -0.09 1.06 0.00 0.00 176.91 179.58 1uua h ARG 51 N -0.84 0.59 0.00 1.72 1.12 -0.70 0.92 114.38 117.20 1uua h ARG 51 Ca -0.06 -0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.54 1uua h ARG 51 Cb 1.18 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.97 1uua h ARG 51 CO 0.03 0.39 -1.75 2.41 -3.11 0.00 0.00 179.97 177.95 1uua n THR 52 N -4.73 1.51 -1.45 0.20 -1.04 -0.81 -4.66 114.28 103.31 1uua n THR 52 Ca 0.24 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 1uua n THR 52 Cb 0.68 -2.11 0.07 0.00 -1.82 0.00 0.00 70.33 67.15 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N -0.89 0.95 0.00 0.00 0.00 0.32 -4.59 105.19 100.98 1uua n GLY 54 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N 1.06 -0.31 0.91 -0.02 0.00 -1.25 -4.55 105.19 101.03 1uua n GLY 55 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32