#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 0.12 0.00 -0.67 1.16 -1.26 -4.81 117.46 112.00 1uua n PHE 2 Ca 0.00 -0.87 0.00 0.00 -1.87 0.00 0.00 57.45 54.71 1uua n PHE 2 Cb 0.00 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.85 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 0.00 0.16 -4.92 0.00 -0.00 -1.23 -0.44 117.00 110.57 1uua n LEU 4 Ca 0.00 0.23 -0.26 0.00 -0.00 0.00 0.00 56.01 55.97 1uua n LEU 4 Cb 0.00 -0.29 0.02 0.00 -0.00 0.00 0.00 43.42 43.15 1uua n LEU 4 CO 0.00 0.03 0.49 -1.61 -0.00 0.00 0.00 177.39 176.30 1uua s GLU 5 N -2.64 3.05 0.17 1.47 0.41 -1.26 -4.10 118.70 115.81 1uua s GLU 5 Ca 0.25 -0.03 -0.33 0.00 -0.41 0.00 0.00 54.97 54.45 1uua s GLU 5 Cb 0.20 -2.33 -0.13 0.00 -1.78 0.00 0.00 34.13 30.09 1uua s GLU 5 CO 0.49 -0.55 1.61 -0.35 -0.49 0.00 0.00 175.26 175.96 1uua n PRO 6 N -2.46 2.29 -1.64 0.39 -0.04 -1.26 -4.85 135.00 127.42 1uua n PRO 6 Ca 0.03 0.83 -0.45 0.00 -0.04 0.00 0.00 63.50 63.87 1uua n PRO 6 Cb 0.57 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1uua n PRO 6 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1uua n PRO 7 N 3.50 1.74 -3.88 0.54 -0.04 -1.26 -5.02 135.00 130.59 1uua n PRO 7 Ca 0.17 0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 63.97 1uua n PRO 7 Cb 0.30 -2.19 -0.17 0.00 -0.04 0.00 0.00 33.50 31.41 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 -0.35 1.48 0.00 0.54 5.04 -1.26 -5.05 117.35 117.75 1uua s TYR 8 Ca 0.66 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1uua s TYR 8 Cb -0.69 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1uua s TYR 8 CO 0.53 -0.55 0.00 2.41 -1.34 0.00 0.00 175.55 176.61 1uua n THR 9 N 4.94 0.00 0.00 4.34 -1.04 -1.26 -4.85 114.28 116.40 1uua n THR 9 Ca -0.12 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1uua n THR 9 Cb 0.49 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 1.77 2.93 2.05 3.41 0.00 -1.26 -4.12 105.19 109.96 1uua n GLY 10 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 0.34 1.57 -3.75 1.61 -0.02 -1.26 -4.67 135.00 128.82 1uua n PRO 11 Ca 0.00 -0.75 -0.12 0.00 -2.02 0.00 0.00 63.50 60.61 1uua n PRO 11 Cb 0.00 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.84 -0.94 -2.91 0.00 4.01 -1.26 -0.84 118.16 120.05 1uua n LYS 13 Ca -0.22 0.05 -0.43 0.00 -0.51 0.00 0.00 58.31 57.20 1uua n LYS 13 Cb 0.55 -1.75 -0.04 0.00 -0.51 0.00 0.00 35.03 33.28 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 -3.19 3.18 -0.02 7.82 0.00 -1.26 -1.87 121.76 126.43 1uua s ALA 14 Ca 0.10 -1.91 0.06 0.00 0.00 0.00 0.00 51.96 50.22 1uua s ALA 14 Cb -0.06 -3.78 0.11 0.00 0.00 0.00 0.00 23.12 19.40 1uua s ALA 14 CO 0.45 -2.67 1.06 2.89 0.00 0.00 0.00 175.76 177.50 1uua n ARG 15 N 7.39 0.08 -3.74 0.00 1.85 -1.08 -4.94 116.66 116.22 1uua n ARG 15 Ca -0.05 -1.25 -0.14 0.00 -1.00 0.00 0.00 57.85 55.41 1uua n ARG 15 Cb 0.45 0.37 -0.15 0.00 -1.05 0.00 0.00 32.46 32.08 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1uua s ILE 16 N -0.04 -0.07 0.05 8.89 1.01 -1.21 -5.01 121.20 124.81 1uua s ILE 16 Ca 0.08 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 1uua s ILE 16 Cb 0.11 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 42.29 1uua s ILE 16 CO -0.04 0.08 0.41 -0.63 0.00 0.00 0.00 174.94 174.76 1uua s ILE 17 N 1.29 5.06 0.23 2.92 1.09 -1.26 0.25 121.20 130.77 1uua s ILE 17 Ca -0.08 0.64 0.04 0.00 -1.10 0.00 0.00 60.65 60.15 1uua s ILE 17 Cb -0.12 -3.67 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1uua s ILE 17 CO -0.06 0.42 0.16 0.54 -0.10 0.00 0.00 174.94 175.90 1uua n ARG 18 N 1.31 0.39 -4.46 2.79 1.74 1.34 -4.88 116.66 114.89 1uua n ARG 18 Ca -0.11 -2.17 -0.30 0.00 -0.77 0.00 0.00 57.85 54.50 1uua n ARG 18 Cb 0.52 1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 33.44 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 -2.77 2.52 0.04 -1.55 1.51 0.10 0.11 117.35 117.31 1uua s TYR 19 Ca 0.22 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1uua s TYR 19 Cb 0.01 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1uua s TYR 19 CO 0.16 0.32 -0.03 -0.59 -1.11 0.00 0.00 175.55 174.30 1uua s PHE 20 N -1.05 0.45 -0.07 2.71 -0.71 -0.18 -0.69 117.98 118.44 1uua s PHE 20 Ca 0.16 -0.82 -0.19 0.00 -1.04 0.00 0.00 56.93 55.04 1uua s PHE 20 Cb -0.10 -0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.34 1uua s PHE 20 CO 0.08 -0.28 0.54 -0.47 -1.34 0.00 0.00 175.22 173.75 1uua s TYR 21 N -2.82 3.58 -0.19 3.49 5.04 0.41 -0.64 117.35 126.21 1uua s TYR 21 Ca -0.02 1.03 -0.10 0.00 -2.44 0.00 0.00 57.07 55.54 1uua s TYR 21 Cb -0.00 -2.59 -0.05 0.00 0.35 0.00 0.00 41.96 39.67 1uua s TYR 21 CO -0.06 0.24 0.14 -0.80 -1.34 0.00 0.00 175.55 173.73 1uua s ASN 22 N 0.32 6.23 0.00 4.32 -0.87 -0.47 -3.47 114.94 121.00 1uua s ASN 22 Ca 0.29 0.25 0.12 0.00 -1.57 0.00 0.00 52.86 51.95 1uua s ASN 22 Cb -0.16 -2.09 0.35 0.00 -0.02 0.00 0.00 41.25 39.32 1uua s ASN 22 CO 0.13 0.19 1.29 0.00 -2.57 0.00 0.00 177.10 176.14 1uua n ALA 23 N 3.45 2.44 -0.03 0.60 0.00 -1.26 -1.00 120.51 124.72 1uua n ALA 23 Ca -0.16 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.61 1uua n ALA 23 Cb 0.52 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 0.63 0.66 0.00 0.00 5.02 -1.26 -4.72 118.16 118.49 1uua n LYS 24 Ca 0.13 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1uua n LYS 24 Cb 0.33 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.46 1.17 -0.20 7.82 0.00 -1.25 -5.04 120.51 120.55 1uua n ALA 25 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1uua n ALA 25 Cb 0.83 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 1.08 0.86 3.91 0.00 0.00 -0.17 -5.08 105.19 105.78 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 4.24 -0.42 0.99 0.05 -1.25 -4.81 118.68 117.48 1uua s LEU 27 Ca 0.00 0.54 -0.18 0.00 0.05 0.00 0.00 54.13 54.54 1uua s LEU 27 Cb 0.00 -3.28 0.02 0.00 -2.05 0.00 0.00 46.19 40.88 1uua s LEU 27 CO 0.00 0.01 0.46 0.00 -0.55 0.00 0.00 176.35 176.27 1uua s GLN 29 N 2.22 3.58 -0.12 0.00 2.00 0.19 -4.77 119.66 122.75 1uua s GLN 29 Ca 0.13 -0.06 -0.20 0.00 -2.00 0.00 0.00 55.36 53.23 1uua s GLN 29 Cb -0.17 -2.61 -0.04 0.00 0.80 0.00 0.00 33.01 30.99 1uua s GLN 29 CO 0.14 0.14 0.57 0.95 -0.50 0.00 0.00 175.29 176.59 1uua s THR 30 N -2.24 5.11 -0.01 -0.34 -4.23 -1.26 -1.01 115.64 111.66 1uua s THR 30 Ca 0.43 1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 61.92 1uua s THR 30 Cb -0.10 -3.91 0.03 0.00 1.34 0.00 0.00 72.50 69.86 1uua s THR 30 CO 0.34 0.25 0.35 0.72 -0.54 0.00 0.00 174.62 175.74 1uua s PHE 31 N 0.99 -0.22 0.70 3.99 -0.71 0.30 -4.92 117.98 118.10 1uua s PHE 31 Ca 0.30 0.32 -0.11 0.00 -1.04 0.00 0.00 56.93 56.40 1uua s PHE 31 Cb -0.16 0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 1uua s PHE 31 CO 0.13 -0.43 1.06 0.08 -1.34 0.00 0.00 175.22 174.72 1uua s VAL 32 N -1.45 3.96 0.08 -2.49 1.01 -1.26 0.40 120.40 120.66 1uua s VAL 32 Ca -0.12 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1uua s VAL 32 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1uua s VAL 32 CO 0.04 -0.83 -0.06 -0.47 0.00 0.00 0.00 175.10 173.78 1uua s TYR 33 N -3.13 0.76 0.00 5.22 5.04 0.70 -4.53 117.35 121.41 1uua s TYR 33 Ca 0.58 -0.87 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1uua s TYR 33 Cb -0.13 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.72 1uua s TYR 33 CO 0.54 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.97 1uua n GLY 34 N 0.27 3.18 0.54 8.97 0.00 -1.26 -2.63 105.19 114.25 1uua n GLY 34 Ca -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 46.02 43.74 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 5.00 -0.29 0.21 -0.02 0.00 -0.02 -4.75 105.19 105.31 1uua n GLY 35 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua s ARG 37 N -3.20 3.04 0.11 0.00 1.81 -1.26 -5.05 118.95 114.40 1uua s ARG 37 Ca 0.07 -1.27 0.10 0.00 -1.72 0.00 0.00 55.73 52.92 1uua s ARG 37 Cb 0.06 -4.19 -0.04 0.00 -0.45 0.00 0.00 34.95 30.33 1uua s ARG 37 CO 0.66 -1.28 -0.26 0.00 -0.68 0.00 0.00 175.30 173.74 1uua s ALA 38 N 2.21 2.30 0.00 2.13 0.00 -1.26 -4.36 121.76 122.78 1uua s ALA 38 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1uua s ALA 38 Cb -0.24 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1uua s ALA 38 CO 0.07 0.52 0.00 1.17 0.00 0.00 0.00 175.76 177.53 1uua n LYS 39 N 1.16 0.00 0.00 0.00 0.00 -1.26 -5.09 118.16 112.96 1uua n LYS 39 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 1uua n LYS 39 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 -3.53 1.64 5.12 -1.26 -4.99 116.66 113.63 1uua n ARG 40 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 1uua n ARG 40 Cb 0.00 -0.35 -0.05 0.00 -1.16 0.00 0.00 32.46 30.90 1uua n ARG 40 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1uua n ASN 41 N 0.00 4.52 -3.66 0.55 4.05 -1.26 -4.28 115.26 115.18 1uua n ASN 41 Ca 0.00 -3.17 -0.07 0.00 0.45 0.00 0.00 54.58 51.79 1uua n ASN 41 Cb 0.22 -1.08 -0.08 0.00 1.23 0.00 0.00 39.78 40.07 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1uua s ASN 42 N -0.30 -0.68 -0.27 1.20 -0.87 -1.26 -4.65 114.94 108.11 1uua s ASN 42 Ca 0.29 1.23 -0.02 0.00 -1.57 0.00 0.00 52.86 52.79 1uua s ASN 42 Cb -0.05 1.50 0.09 0.00 -0.02 0.00 0.00 41.25 42.77 1uua s ASN 42 CO -0.09 -0.22 0.08 -0.36 -2.57 0.00 0.00 177.10 173.94 1uua s PHE 43 N 2.26 1.17 -2.00 2.20 0.40 0.13 -4.98 117.98 117.16 1uua s PHE 43 Ca -0.06 -1.25 0.21 0.00 -0.60 0.00 0.00 56.93 55.23 1uua s PHE 43 Cb -0.10 -1.30 1.28 0.00 0.51 0.00 0.00 43.02 43.41 1uua s PHE 43 CO -0.16 -0.78 1.67 1.17 0.70 0.00 0.00 175.22 177.83 1uua n LYS 44 N 5.01 0.72 -4.18 0.44 0.00 -1.26 0.01 118.16 118.89 1uua n LYS 44 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.08 1uua n LYS 44 Cb 0.44 -1.47 -0.16 0.00 0.00 0.00 0.00 35.03 33.84 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 -1.96 0.81 0.11 3.14 0.01 -1.26 -4.83 113.70 109.73 1uua s SER 45 Ca 0.32 -0.12 -0.18 0.00 1.31 0.00 0.00 55.95 57.29 1uua s SER 45 Cb 0.15 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1uua s SER 45 CO 0.25 0.00 1.63 0.00 0.41 0.00 0.00 173.24 175.53 1uua h ALA 46 N 6.66 0.40 -0.27 1.44 0.00 -1.98 -1.74 119.26 123.76 1uua h ALA 46 Ca -0.35 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1uua h ALA 46 Cb 1.17 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1uua h ALA 46 CO 0.49 0.03 -0.38 1.49 0.00 0.00 0.00 179.25 180.88 1uua h GLU 47 N 0.34 -0.36 -0.22 0.00 4.81 -1.98 -0.78 114.58 116.39 1uua h GLU 47 Ca 0.10 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1uua h GLU 47 Cb 0.24 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1uua h GLU 47 CO -0.00 -0.24 0.10 -0.44 -0.73 0.00 0.00 179.01 177.70 1uua h ASP 48 N -0.37 0.29 -0.70 1.04 3.32 -1.97 -1.30 116.42 116.73 1uua h ASP 48 Ca 0.12 -0.13 0.15 0.00 0.02 0.00 0.00 57.03 57.19 1uua h ASP 48 Cb 0.58 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.93 1uua h ASP 48 CO -0.47 0.34 -0.09 0.00 -1.72 0.00 0.00 179.24 177.30 1uua h MET 50 N 0.05 0.74 0.00 0.00 2.86 -1.07 0.41 114.93 117.91 1uua h MET 50 Ca 0.36 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1uua h MET 50 Cb 0.59 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1uua h MET 50 CO -0.67 1.23 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1uua h ARG 51 N 0.50 0.00 0.00 1.72 3.08 -0.01 0.34 114.38 120.00 1uua h ARG 51 Ca -0.06 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.71 1uua h ARG 51 Cb 1.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.43 1uua h ARG 51 CO 0.16 0.00 -1.90 2.41 -1.07 0.00 0.00 179.97 179.57 1uua n THR 52 N -3.05 1.14 -1.03 2.04 -1.04 0.75 -4.36 114.28 108.72 1uua n THR 52 Ca 0.00 -0.20 0.07 0.00 -2.04 0.00 0.00 64.05 61.87 1uua n THR 52 Cb 0.28 -1.83 0.27 0.00 -1.82 0.00 0.00 70.33 67.24 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 -0.43 -0.34 0.00 0.00 0.00 0.11 -4.87 105.19 99.68 1uua n GLY 54 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.20 -1.85 0.46 -0.02 0.00 -1.01 -5.04 105.19 99.93 1uua n GLY 55 Ca -0.07 0.86 0.06 0.00 0.00 0.00 0.00 46.02 46.87 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32