#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 0.23 1.24 -1.74 -1.26 -4.86 117.46 111.08 1uua n PHE 2 Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.02 1uua n PHE 2 Cb 0.00 0.00 0.31 0.00 1.52 0.00 0.00 39.48 41.31 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1uua n LEU 4 N -3.11 3.53 -4.93 0.00 -0.00 -1.26 -3.61 117.00 107.62 1uua n LEU 4 Ca 0.03 -1.81 -0.27 0.00 -0.00 0.00 0.00 56.01 53.96 1uua n LEU 4 Cb 0.48 -0.60 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 1uua n LEU 4 CO 0.32 0.52 0.06 -1.61 -0.00 0.00 0.00 177.39 176.69 1uua s GLU 5 N -1.57 3.53 0.39 1.47 0.41 -1.22 -4.65 118.70 117.06 1uua s GLU 5 Ca 0.22 -0.30 -0.27 0.00 -0.41 0.00 0.00 54.97 54.21 1uua s GLU 5 Cb 0.18 -2.79 -0.10 0.00 -1.78 0.00 0.00 34.13 29.64 1uua s GLU 5 CO 0.06 0.35 1.38 -1.25 -0.49 0.00 0.00 175.26 175.31 1uua s PRO 6 N -3.48 4.01 0.22 0.39 0.04 -1.26 -4.81 135.00 130.12 1uua s PRO 6 Ca 0.39 2.34 -0.32 0.00 0.04 0.00 0.00 61.00 63.46 1uua s PRO 6 Cb -0.11 -2.85 -0.13 0.00 0.04 0.00 0.00 34.50 31.45 1uua s PRO 6 CO 0.30 -0.52 1.44 -0.35 0.04 0.00 0.00 177.00 177.90 1uua n PRO 7 N 0.27 2.05 -3.67 0.56 -0.04 -1.26 -5.01 135.00 127.89 1uua n PRO 7 Ca 0.03 0.73 -0.29 0.00 -0.04 0.00 0.00 63.50 63.93 1uua n PRO 7 Cb 0.42 -2.41 -0.16 0.00 -0.04 0.00 0.00 33.50 31.31 1uua n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1uua s TYR 8 N 0.11 1.01 0.00 0.54 5.04 -1.26 -5.04 117.35 117.75 1uua s TYR 8 Ca 0.70 -1.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1uua s TYR 8 Cb -0.66 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 40.44 1uua s TYR 8 CO 0.48 -0.76 0.00 2.41 -1.34 0.00 0.00 175.55 176.33 1uua n THR 9 N 5.05 0.00 0.00 4.34 -1.04 -1.26 -4.72 114.28 116.65 1uua n THR 9 Ca -0.05 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1uua n THR 9 Cb 0.44 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 2.32 3.07 2.97 3.41 0.00 -1.26 -4.54 105.19 111.17 1uua n GLY 10 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1uua n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uua n PRO 11 N 0.09 1.82 0.00 1.61 -0.02 -1.26 -4.77 135.00 132.47 1uua n PRO 11 Ca 0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 63.50 59.54 1uua n PRO 11 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 30.55 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uua n LYS 13 N 0.00 3.86 -2.87 0.00 4.01 -1.26 -4.94 118.16 116.96 1uua n LYS 13 Ca 0.00 -2.82 -0.42 0.00 -0.51 0.00 0.00 58.31 54.56 1uua n LYS 13 Cb 0.00 -2.54 -0.04 0.00 -0.51 0.00 0.00 35.03 31.93 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uua s ALA 14 N -0.34 3.49 0.00 7.82 0.00 -1.26 -4.64 121.76 126.83 1uua s ALA 14 Ca 0.59 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1uua s ALA 14 Cb 0.23 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 20.01 1uua s ALA 14 CO -0.10 -1.35 0.98 2.89 0.00 0.00 0.00 175.76 178.18 1uua n ARG 15 N 6.43 0.00 -3.83 0.00 -4.01 -1.19 -4.87 116.66 109.20 1uua n ARG 15 Ca 0.05 -1.07 -0.26 0.00 -1.04 0.00 0.00 57.85 55.53 1uua n ARG 15 Cb 0.48 -0.36 -0.17 0.00 -3.04 0.00 0.00 32.46 29.37 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 0.00 0.78 -0.49 8.89 1.01 -1.22 -5.00 121.20 125.17 1uua s ILE 16 Ca 0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1uua s ILE 16 Cb 0.06 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.57 1uua s ILE 16 CO -0.03 0.13 0.66 -0.63 0.00 0.00 0.00 174.94 175.07 1uua s ILE 17 N 1.78 4.81 0.54 2.92 1.09 -1.26 0.13 121.20 131.21 1uua s ILE 17 Ca 0.02 -0.26 0.07 0.00 -1.10 0.00 0.00 60.65 59.38 1uua s ILE 17 Cb -0.14 -4.30 0.06 0.00 -1.06 0.00 0.00 42.46 37.02 1uua s ILE 17 CO -0.07 -0.78 0.74 -0.13 -0.10 0.00 0.00 174.94 174.60 1uua s ARG 18 N 2.81 2.43 0.13 2.79 0.52 1.22 -4.74 118.95 124.12 1uua s ARG 18 Ca 0.18 -1.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1uua s ARG 18 Cb -0.17 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 1uua s ARG 18 CO 0.14 -0.72 -0.02 0.71 0.02 0.00 0.00 175.30 175.43 1uua s TYR 19 N -2.63 2.86 0.04 -0.53 1.51 0.11 0.74 117.35 119.45 1uua s TYR 19 Ca 0.60 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.54 1uua s TYR 19 Cb -0.08 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1uua s TYR 19 CO 0.38 0.48 -0.03 -0.59 -1.11 0.00 0.00 175.55 174.68 1uua s PHE 20 N -1.48 0.47 -0.11 2.71 -0.71 -0.30 -0.94 117.98 117.62 1uua s PHE 20 Ca 0.25 -0.93 -0.19 0.00 -1.04 0.00 0.00 56.93 55.02 1uua s PHE 20 Cb -0.10 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1uua s PHE 20 CO 0.17 -0.32 0.53 -0.47 -1.34 0.00 0.00 175.22 173.79 1uua s TYR 21 N -3.29 3.52 -0.19 3.49 5.04 -1.24 -0.44 117.35 124.24 1uua s TYR 21 Ca 0.01 0.96 -0.14 0.00 -2.44 0.00 0.00 57.07 55.47 1uua s TYR 21 Cb 0.03 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 1uua s TYR 21 CO -0.08 0.14 0.29 -0.80 -1.34 0.00 0.00 175.55 173.77 1uua s ASN 22 N 0.68 6.36 -0.02 4.32 -0.87 -0.34 -4.48 114.94 120.59 1uua s ASN 22 Ca 0.28 0.42 0.11 0.00 -1.57 0.00 0.00 52.86 52.10 1uua s ASN 22 Cb -0.16 -2.18 0.36 0.00 -0.02 0.00 0.00 41.25 39.25 1uua s ASN 22 CO 0.12 0.04 1.26 0.00 -2.57 0.00 0.00 177.10 175.95 1uua n ALA 23 N 3.98 2.58 -0.03 0.60 0.00 -1.26 -1.05 120.51 125.33 1uua n ALA 23 Ca -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.60 1uua n ALA 23 Cb 0.52 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 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 0.57 0.66 0.00 0.00 5.02 -1.26 -4.74 118.16 118.42 1uua n LYS 24 Ca 0.13 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1uua n LYS 24 Cb 0.40 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uua n ALA 25 N -2.47 0.84 -0.05 7.82 0.00 -1.25 -5.05 120.51 120.36 1uua n ALA 25 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1uua n ALA 25 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 0.57 0.92 3.91 0.00 0.00 -0.21 -5.09 105.19 105.29 1uua n GLY 26 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 4.27 -0.43 0.99 -0.00 -1.25 -4.81 118.68 117.46 1uua s LEU 27 Ca 0.00 0.49 -0.19 0.00 -0.00 0.00 0.00 54.13 54.43 1uua s LEU 27 Cb 0.00 -3.22 0.02 0.00 -0.00 0.00 0.00 46.19 42.99 1uua s LEU 27 CO 0.00 0.04 0.57 0.00 -0.00 0.00 0.00 176.35 176.96 1uua s GLN 29 N 2.57 3.57 -0.18 0.00 0.74 0.41 -4.78 119.66 121.99 1uua s GLN 29 Ca 0.19 0.18 -0.14 0.00 0.05 0.00 0.00 55.36 55.64 1uua s GLN 29 Cb -0.15 -2.41 -0.05 0.00 1.10 0.00 0.00 33.01 31.50 1uua s GLN 29 CO 0.17 -0.14 0.29 0.95 -0.55 0.00 0.00 175.29 176.02 1uua s THR 30 N -2.63 5.30 0.01 -0.34 -4.23 -1.26 -1.15 115.64 111.33 1uua s THR 30 Ca 0.47 0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 61.33 1uua s THR 30 Cb -0.10 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1uua s THR 30 CO 0.42 0.36 0.39 0.72 -0.54 0.00 0.00 174.62 175.97 1uua s PHE 31 N 0.68 -0.26 0.93 3.99 -0.71 0.23 -4.97 117.98 117.86 1uua s PHE 31 Ca 0.16 0.33 -0.14 0.00 -1.04 0.00 0.00 56.93 56.23 1uua s PHE 31 Cb -0.13 0.18 0.16 0.00 -1.21 0.00 0.00 43.02 42.02 1uua s PHE 31 CO 0.04 -0.50 1.23 0.08 -1.34 0.00 0.00 175.22 174.74 1uua s VAL 32 N -1.85 1.96 -0.22 -2.49 1.01 -1.26 0.38 120.40 117.93 1uua s VAL 32 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1uua s VAL 32 Cb -0.02 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.50 1uua s VAL 32 CO 0.02 0.00 0.57 -0.47 0.00 0.00 0.00 175.10 175.22 1uua s TYR 33 N -3.62 -0.64 -0.19 5.22 5.04 0.35 -4.57 117.35 118.94 1uua s TYR 33 Ca 0.68 1.55 -0.14 0.00 -2.44 0.00 0.00 57.07 56.73 1uua s TYR 33 Cb -0.08 0.23 -0.08 0.00 0.35 0.00 0.00 41.96 42.38 1uua s TYR 33 CO 0.52 -0.31 -0.31 0.41 -1.34 0.00 0.00 175.55 174.52 1uua n GLY 34 N 2.85 -0.43 0.16 8.97 0.00 -1.26 -3.14 105.19 112.34 1uua n GLY 34 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1uua n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 35 N 1.60 1.62 0.13 -0.02 0.00 -1.26 -4.61 105.19 102.65 1uua n GLY 35 Ca -0.30 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.65 2.58 0.00 0.00 1.74 -1.26 -5.10 116.66 110.96 1uua n ARG 37 Ca -0.42 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1uua n ARG 37 Cb 0.95 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.03 -0.61 -1.64 7.54 0.00 -1.26 -5.02 120.51 119.50 1uua n ALA 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1uua n ALA 38 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1uua n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 39 N 0.42 0.00 0.00 0.00 0.00 -1.26 -5.09 118.16 112.22 1uua n LYS 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1uua n LYS 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1uua n ARG 40 N 0.00 0.00 -2.70 1.64 1.74 -1.26 -5.03 116.66 111.05 1uua n ARG 40 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1uua n ARG 40 Cb 0.00 -0.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 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 -1.93 6.28 -0.24 0.55 3.04 -1.26 -4.88 114.94 116.51 1uua s ASN 41 Ca 0.00 -1.01 -0.07 0.00 0.04 0.00 0.00 52.86 51.82 1uua s ASN 41 Cb 0.00 -2.50 0.11 0.00 -1.54 0.00 0.00 41.25 37.33 1uua s ASN 41 CO 0.00 -1.55 0.50 0.20 -3.04 0.00 0.00 177.10 173.20 1uua s ASN 42 N 3.94 -0.55 -0.23 -4.21 -0.87 -1.26 -4.82 114.94 106.94 1uua s ASN 42 Ca 0.33 1.09 -0.04 0.00 -1.57 0.00 0.00 52.86 52.67 1uua s ASN 42 Cb -0.09 1.67 0.08 0.00 -0.02 0.00 0.00 41.25 42.88 1uua s ASN 42 CO 0.06 -0.24 0.09 -0.36 -2.57 0.00 0.00 177.10 174.08 1uua s PHE 43 N 2.71 0.58 -2.00 2.20 0.40 -0.12 -4.98 117.98 116.76 1uua s PHE 43 Ca -0.00 -0.77 0.20 0.00 -0.60 0.00 0.00 56.93 55.76 1uua s PHE 43 Cb -0.12 -0.94 1.18 0.00 0.51 0.00 0.00 43.02 43.64 1uua s PHE 43 CO -0.15 -0.67 1.65 1.17 0.70 0.00 0.00 175.22 177.91 1uua n LYS 44 N 5.17 0.82 -4.10 0.44 3.00 -1.26 0.04 118.16 122.27 1uua n LYS 44 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.06 1uua n LYS 44 Cb 0.46 -1.38 -0.16 0.00 0.00 0.00 0.00 35.03 33.95 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1uua s SER 45 N -1.80 0.70 0.12 3.14 0.01 -1.26 -4.83 113.70 109.77 1uua s SER 45 Ca 0.30 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 1uua s SER 45 Cb 0.14 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1uua s SER 45 CO 0.23 -0.04 1.65 0.00 0.41 0.00 0.00 173.24 175.49 1uua h ALA 46 N 6.93 0.46 -0.36 1.44 0.00 -1.98 -1.75 119.26 124.00 1uua h ALA 46 Ca -0.38 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1uua h ALA 46 Cb 1.16 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1uua h ALA 46 CO 0.48 0.08 -0.36 0.93 0.00 0.00 0.00 179.25 180.39 1uua h GLU 47 N 0.42 -0.29 -0.27 0.00 5.08 -1.99 -0.70 114.58 116.83 1uua h GLU 47 Ca 0.11 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1uua h GLU 47 Cb 0.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1uua h GLU 47 CO -0.01 -0.19 0.00 -0.44 -1.00 0.00 0.00 179.01 177.37 1uua h ASP 48 N -0.30 0.47 -0.63 1.42 3.32 -1.97 -0.75 116.42 117.97 1uua h ASP 48 Ca 0.15 -0.31 0.13 0.00 0.02 0.00 0.00 57.03 57.02 1uua h ASP 48 Cb 0.56 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 39.86 1uua h ASP 48 CO -0.52 0.66 -0.18 0.00 -1.72 0.00 0.00 179.24 177.48 1uua h MET 50 N -0.02 0.37 0.00 0.00 2.86 -1.15 -0.15 114.93 116.85 1uua h MET 50 Ca 0.30 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1uua h MET 50 Cb 0.48 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1uua h MET 50 CO -0.66 1.16 -0.11 -0.09 1.06 0.00 0.00 176.91 178.27 1uua h ARG 51 N 0.18 0.00 0.00 1.72 2.43 -0.06 0.40 114.38 119.05 1uua h ARG 51 Ca -0.11 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.77 1uua h ARG 51 Cb 1.73 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.24 1uua h ARG 51 CO 0.18 0.11 -1.92 2.41 -1.51 0.00 0.00 179.97 179.23 1uua n THR 52 N -4.22 1.27 -0.84 0.20 -1.04 0.12 -4.67 114.28 105.10 1uua n THR 52 Ca -0.03 -0.20 0.07 0.00 -2.04 0.00 0.00 64.05 61.85 1uua n THR 52 Cb 0.19 -1.89 0.40 0.00 -1.82 0.00 0.00 70.33 67.20 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 0.64 2.11 0.09 0.00 0.00 0.14 -4.85 105.19 103.32 1uua n GLY 54 Ca 0.27 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 2.26 -0.83 0.95 -0.02 0.00 -1.26 -4.53 105.19 101.76 1uua n GLY 55 Ca 0.25 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32