#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 0.00 1.24 1.16 -1.26 -4.85 117.46 113.75 1uua n PHE 2 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1uua n PHE 2 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 0.07 -4.91 0.00 7.94 -1.26 -2.98 117.00 115.86 1uua n LEU 4 Ca 0.00 0.50 -0.29 0.00 -1.11 0.00 0.00 56.01 55.11 1uua n LEU 4 Cb 0.00 -0.48 -0.04 0.00 0.53 0.00 0.00 43.42 43.43 1uua n LEU 4 CO 0.00 -0.01 0.05 -1.61 -1.11 0.00 0.00 177.39 174.70 1uua s GLU 5 N -3.01 3.57 0.61 1.96 2.02 -1.26 -4.71 118.70 117.88 1uua s GLU 5 Ca 0.14 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.74 1uua s GLU 5 Cb 0.18 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1uua s GLU 5 CO 0.54 0.41 1.28 -1.25 0.02 0.00 0.00 175.26 176.25 1uua s PRO 6 N -3.06 2.77 0.31 0.39 0.04 -1.26 -4.92 135.00 129.27 1uua s PRO 6 Ca 0.40 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 1uua s PRO 6 Cb -0.11 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1uua s PRO 6 CO 0.27 -1.41 1.34 -0.35 0.04 0.00 0.00 177.00 176.89 1uua n PRO 7 N -1.67 2.14 -0.17 0.56 -0.04 -1.26 -4.92 135.00 129.64 1uua n PRO 7 Ca 0.14 0.75 0.08 0.00 -0.04 0.00 0.00 63.50 64.44 1uua n PRO 7 Cb 0.48 -2.37 0.24 0.00 -0.04 0.00 0.00 33.50 31.81 1uua n PRO 7 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uua n TYR 8 N 0.89 0.45 0.15 0.54 9.36 -1.26 -4.67 117.16 122.63 1uua n TYR 8 Ca 0.07 -0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1uua n TYR 8 Cb 0.35 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 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 0.65 0.00 0.00 2.97 -1.04 -1.26 -4.83 114.28 110.77 1uua n THR 9 Ca 0.15 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 1uua n THR 9 Cb 0.36 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.95 0.00 0.51 3.41 0.00 -1.26 -3.83 105.19 103.07 1uua n GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.41 0.00 0.00 1.61 -0.02 -1.26 -4.82 135.00 130.92 1uua n PRO 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1uua n PRO 11 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 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 4.25 -3.71 0.00 4.76 -1.26 -4.99 118.16 117.20 1uua n LYS 13 Ca 0.00 -4.42 -0.36 0.00 -2.87 0.00 0.00 58.31 50.67 1uua n LYS 13 Cb 0.00 -2.57 -0.09 0.00 -1.84 0.00 0.00 35.03 30.53 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uua s ALA 14 N -2.16 3.65 0.00 7.82 0.00 -1.26 -3.77 121.76 126.03 1uua s ALA 14 Ca 0.32 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1uua s ALA 14 Cb 0.03 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1uua s ALA 14 CO 0.07 0.02 1.00 2.89 0.00 0.00 0.00 175.76 179.74 1uua n ARG 15 N 3.82 0.00 -3.64 0.00 -4.01 -1.24 -4.96 116.66 106.63 1uua n ARG 15 Ca -0.16 -1.04 -0.28 0.00 -1.04 0.00 0.00 57.85 55.33 1uua n ARG 15 Cb 0.52 -0.44 -0.16 0.00 -3.04 0.00 0.00 32.46 29.34 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 0.24 0.09 8.89 1.01 -1.25 -5.05 121.20 125.14 1uua s ILE 16 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 1uua s ILE 16 Cb 0.03 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 1uua s ILE 16 CO -0.01 -0.47 0.90 -0.51 0.00 0.00 0.00 174.94 174.84 1uua s ILE 17 N 1.96 4.56 0.31 2.92 2.07 -1.26 0.54 121.20 132.31 1uua s ILE 17 Ca 0.05 1.94 0.02 0.00 -1.41 0.00 0.00 60.65 61.25 1uua s ILE 17 Cb -0.16 -4.26 -0.01 0.00 0.13 0.00 0.00 42.46 38.16 1uua s ILE 17 CO -0.20 0.34 0.08 0.54 -1.91 0.00 0.00 174.94 173.79 1uua n ARG 18 N 2.77 0.77 -4.44 3.50 1.74 1.17 -4.86 116.66 117.29 1uua n ARG 18 Ca 0.01 -2.54 -0.26 0.00 -0.77 0.00 0.00 57.85 54.28 1uua n ARG 18 Cb 0.49 1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 33.03 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 -2.59 2.02 0.01 -1.55 1.51 0.25 0.93 117.35 117.93 1uua s TYR 19 Ca 0.12 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.72 1uua s TYR 19 Cb 0.01 -1.13 -0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1uua s TYR 19 CO 0.08 0.22 0.12 -0.59 -1.11 0.00 0.00 175.55 174.28 1uua s PHE 20 N -1.03 0.08 -0.15 2.71 -0.71 -0.42 -0.69 117.98 117.77 1uua s PHE 20 Ca 0.10 -0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.54 1uua s PHE 20 Cb -0.10 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 1uua s PHE 20 CO 0.04 -0.29 0.73 -0.47 -1.34 0.00 0.00 175.22 173.89 1uua s TYR 21 N -1.55 3.45 -0.25 3.49 5.04 -1.16 -0.11 117.35 126.26 1uua s TYR 21 Ca -0.14 1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 55.51 1uua s TYR 21 Cb -0.07 -2.89 -0.04 0.00 0.35 0.00 0.00 41.96 39.31 1uua s TYR 21 CO 0.01 -0.13 0.29 -0.80 -1.34 0.00 0.00 175.55 173.58 1uua s ASN 22 N 1.07 6.20 0.00 4.32 -0.87 -0.95 -4.27 114.94 120.45 1uua s ASN 22 Ca 0.35 0.22 0.15 0.00 -1.57 0.00 0.00 52.86 52.01 1uua s ASN 22 Cb -0.17 -2.17 0.90 0.00 -0.02 0.00 0.00 41.25 39.79 1uua s ASN 22 CO 0.13 -0.08 1.58 0.00 -2.57 0.00 0.00 177.10 176.16 1uua n ALA 23 N 4.90 2.59 0.36 0.60 0.00 -1.26 -0.58 120.51 127.12 1uua n ALA 23 Ca -0.11 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1uua n ALA 23 Cb 0.51 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.70 0.42 0.00 0.00 5.02 -1.26 -4.64 118.16 117.01 1uua n LYS 24 Ca 0.12 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1uua n LYS 24 Cb 0.06 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.98 1.97 0.00 7.82 0.00 -1.15 -5.07 120.51 122.10 1uua n ALA 25 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uua n ALA 25 Cb 0.48 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.65 3.13 3.84 0.00 0.00 0.25 -5.08 105.19 109.97 1uua n GLY 26 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 2.26 -0.09 0.99 2.34 -1.26 -4.63 118.68 118.28 1uua s LEU 27 Ca 0.00 0.91 -0.12 0.00 0.06 0.00 0.00 54.13 54.98 1uua s LEU 27 Cb 0.00 -3.33 -0.05 0.00 -0.56 0.00 0.00 46.19 42.25 1uua s LEU 27 CO 0.00 -2.24 0.30 0.00 -1.06 0.00 0.00 176.35 173.35 1uua s GLN 29 N -0.46 2.87 -0.13 0.00 -0.21 0.85 -4.83 119.66 117.74 1uua s GLN 29 Ca 0.19 -0.94 -0.18 0.00 0.02 0.00 0.00 55.36 54.45 1uua s GLN 29 Cb -0.14 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1uua s GLN 29 CO 0.07 0.46 0.46 0.95 -2.12 0.00 0.00 175.29 175.12 1uua s THR 30 N -1.85 5.19 -0.04 -0.19 -4.23 -1.26 -1.30 115.64 111.97 1uua s THR 30 Ca 0.31 0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 1uua s THR 30 Cb -0.09 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1uua s THR 30 CO 0.23 0.32 0.10 0.72 -0.54 0.00 0.00 174.62 175.46 1uua s PHE 31 N 0.71 -0.11 -0.58 3.99 -0.12 0.26 -4.91 117.98 117.23 1uua s PHE 31 Ca 0.25 0.29 -0.22 0.00 -0.05 0.00 0.00 56.93 57.19 1uua s PHE 31 Cb -0.15 0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.32 1uua s PHE 31 CO 0.10 -0.07 0.88 0.08 -0.05 0.00 0.00 175.22 176.16 1uua s VAL 32 N 0.19 4.48 0.47 -2.49 1.01 -1.26 0.37 120.40 123.17 1uua s VAL 32 Ca -0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1uua s VAL 32 Cb -0.02 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1uua s VAL 32 CO -0.01 -1.16 1.20 -0.47 0.00 0.00 0.00 175.10 174.67 1uua s TYR 33 N 3.68 2.78 0.18 5.22 5.04 0.19 -4.78 117.35 129.65 1uua s TYR 33 Ca 0.24 1.51 0.11 0.00 -2.44 0.00 0.00 57.07 56.49 1uua s TYR 33 Cb -0.16 -3.46 -0.04 0.00 0.35 0.00 0.00 41.96 38.65 1uua s TYR 33 CO 0.15 -1.75 -0.24 0.20 -1.34 0.00 0.00 175.55 172.56 1uua s GLY 34 N -1.26 1.66 -0.71 8.97 0.00 -1.26 -3.68 107.32 111.04 1uua s GLY 34 Ca 0.64 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1uua s GLY 34 CO 0.37 -1.61 2.08 0.61 0.00 0.00 0.00 173.10 174.56 1uua n GLY 35 N 0.43 5.53 0.12 0.20 0.00 -1.25 -4.45 105.19 105.77 1uua n GLY 35 Ca -0.14 -2.28 -0.16 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.18 0.00 0.00 0.00 1.74 -1.26 -5.14 116.66 108.82 1uua n ARG 37 Ca -0.34 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1uua n ARG 37 Cb 1.05 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 32.42 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 -2.74 -0.47 -2.12 7.54 0.00 -1.26 -5.16 120.51 116.30 1uua n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uua n ALA 38 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 2.10 0.00 0.00 0.00 3.00 -1.26 -5.12 118.16 116.88 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 -2.40 1.64 1.74 -1.26 -5.06 116.66 111.32 1uua n ARG 40 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1uua n ARG 40 Cb 0.00 -0.21 -0.03 0.00 -1.02 0.00 0.00 32.46 31.20 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 -1.45 6.00 -0.26 0.55 3.04 -1.26 -4.89 114.94 116.67 1uua s ASN 41 Ca 0.00 -0.75 -0.12 0.00 0.04 0.00 0.00 52.86 52.04 1uua s ASN 41 Cb 0.00 -2.56 0.10 0.00 -1.54 0.00 0.00 41.25 37.25 1uua s ASN 41 CO 0.00 -1.94 0.60 0.20 -3.04 0.00 0.00 177.10 172.93 1uua s ASN 42 N 5.49 -0.87 -0.29 -4.21 -0.87 -1.26 -4.85 114.94 108.07 1uua s ASN 42 Ca 0.49 1.39 -0.01 0.00 -1.57 0.00 0.00 52.86 53.16 1uua s ASN 42 Cb -0.05 1.64 0.09 0.00 -0.02 0.00 0.00 41.25 42.91 1uua s ASN 42 CO 0.04 -0.23 0.09 -0.36 -2.57 0.00 0.00 177.10 174.07 1uua s PHE 43 N 2.20 1.57 -0.55 2.20 0.40 0.14 -4.96 117.98 118.98 1uua s PHE 43 Ca -0.07 -1.58 0.18 0.00 -0.60 0.00 0.00 56.93 54.85 1uua s PHE 43 Cb -0.09 -1.58 0.84 0.00 0.51 0.00 0.00 43.02 42.70 1uua s PHE 43 CO -0.18 -0.84 1.56 1.17 0.70 0.00 0.00 175.22 177.63 1uua n LYS 44 N 4.89 0.12 -4.50 0.44 3.00 -1.26 0.88 118.16 121.72 1uua n LYS 44 Ca -0.03 0.47 -0.20 0.00 -0.00 0.00 0.00 58.31 58.54 1uua n LYS 44 Cb 0.43 -1.79 -0.15 0.00 0.00 0.00 0.00 35.03 33.52 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 -3.80 1.37 0.07 3.14 0.01 -1.26 -4.80 113.70 108.42 1uua s SER 45 Ca 0.02 -0.22 -0.21 0.00 1.31 0.00 0.00 55.95 56.85 1uua s SER 45 Cb 0.07 -0.15 -0.12 0.00 0.21 0.00 0.00 66.02 66.03 1uua s SER 45 CO 0.26 0.14 1.55 0.00 0.41 0.00 0.00 173.24 175.59 1uua h ALA 46 N 5.81 0.19 -0.25 1.44 0.00 -1.97 -0.58 119.26 123.89 1uua h ALA 46 Ca -0.33 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1uua h ALA 46 Cb 1.17 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1uua h ALA 46 CO 0.49 -0.17 -0.52 1.49 0.00 0.00 0.00 179.25 180.54 1uua h GLU 47 N 0.03 -0.47 -0.52 0.00 4.81 -1.98 0.16 114.58 116.60 1uua h GLU 47 Ca 0.04 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1uua h GLU 47 Cb 0.27 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1uua h GLU 47 CO 0.00 -0.31 0.12 -0.44 -0.73 0.00 0.00 179.01 177.65 1uua h ASP 48 N -0.48 0.75 0.63 1.04 3.32 -1.98 -1.00 116.42 118.68 1uua h ASP 48 Ca 0.07 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1uua h ASP 48 Cb 0.64 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1uua h ASP 48 CO -0.50 0.74 -0.48 0.00 -1.72 0.00 0.00 179.24 177.27 1uua h MET 50 N -1.07 0.82 -0.46 0.00 2.86 -0.73 -1.94 114.93 114.41 1uua h MET 50 Ca -0.08 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1uua h MET 50 Cb 0.89 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1uua h MET 50 CO 0.02 0.73 -0.16 -0.09 1.06 0.00 0.00 176.91 178.47 1uua h ARG 51 N 0.79 0.88 0.01 1.72 2.43 -1.00 0.39 114.38 119.59 1uua h ARG 51 Ca 0.18 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1uua h ARG 51 Cb 0.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1uua h ARG 51 CO -0.00 0.98 -0.04 1.15 -1.51 0.00 0.00 179.97 180.55 1uua h THR 52 N 0.78 1.75 0.00 0.20 2.02 -0.56 -3.27 112.91 113.83 1uua h THR 52 Ca 0.12 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.04 1uua h THR 52 Cb 0.70 3.28 -0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1uua h THR 52 CO 0.05 0.59 -0.06 0.00 0.37 0.00 0.00 175.52 176.47 1uua n GLY 54 N 1.74 3.78 1.61 0.00 0.00 0.13 -4.30 105.19 108.15 1uua n GLY 54 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 1.09 -0.09 0.00 -0.02 0.00 -1.18 -4.67 105.19 100.32 1uua n GLY 55 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32