#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua s PHE 2 N 0.00 2.85 0.00 1.24 -0.12 -1.26 -4.90 117.98 115.79 1uua s PHE 2 Ca 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1uua s PHE 2 Cb 0.00 -1.49 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 1uua s PHE 2 CO 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 175.22 175.61 1uua n LEU 4 N 0.00 2.49 -4.63 0.00 4.32 -1.26 -4.36 117.00 113.56 1uua n LEU 4 Ca 0.00 -1.26 -0.38 0.00 -0.02 0.00 0.00 56.01 54.35 1uua n LEU 4 Cb 0.00 -0.49 -0.09 0.00 -1.62 0.00 0.00 43.42 41.23 1uua n LEU 4 CO 0.00 0.39 0.03 -1.61 -1.22 0.00 0.00 177.39 174.97 1uua s GLU 5 N -1.65 4.07 0.79 3.23 0.41 -1.26 -4.91 118.70 119.37 1uua s GLU 5 Ca 0.20 0.03 -0.12 0.00 -0.41 0.00 0.00 54.97 54.67 1uua s GLU 5 Cb 0.14 -3.60 0.06 0.00 -1.78 0.00 0.00 34.13 28.96 1uua s GLU 5 CO 0.07 -0.14 1.11 -2.14 -0.49 0.00 0.00 175.26 173.67 1uua s PRO 6 N 1.65 2.19 0.26 0.39 0.02 -1.26 -4.80 135.00 133.44 1uua s PRO 6 Ca 0.15 0.52 -0.31 0.00 0.02 0.00 0.00 61.00 61.38 1uua s PRO 6 Cb -0.15 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1uua s PRO 6 CO 0.08 -1.52 1.39 -0.35 -0.33 0.00 0.00 177.00 176.28 1uua n PRO 7 N -3.34 2.07 -0.95 5.54 -0.04 -1.26 -4.91 135.00 132.11 1uua n PRO 7 Ca 0.07 0.74 -0.16 0.00 -0.04 0.00 0.00 63.50 64.11 1uua n PRO 7 Cb 0.57 -2.38 0.17 0.00 -0.04 0.00 0.00 33.50 31.82 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 1.66 2.35 0.00 0.54 9.36 -1.26 -4.68 117.16 125.13 1uua n TYR 8 Ca 0.10 -1.44 0.00 0.00 3.32 0.00 0.00 57.90 59.88 1uua n TYR 8 Cb 0.32 -0.76 0.00 0.00 -0.63 0.00 0.00 39.34 38.28 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 -0.64 0.47 -0.53 2.97 -1.04 -1.26 -4.83 114.28 109.42 1uua n THR 9 Ca 0.44 0.24 -0.20 0.00 -2.04 0.00 0.00 64.05 62.49 1uua n THR 9 Cb 1.38 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.98 -0.17 0.00 3.41 0.00 -1.26 -3.72 105.19 102.47 1uua n GLY 10 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.51 0.00 -4.40 1.61 -0.02 -1.26 -4.83 135.00 126.61 1uua n PRO 11 Ca 0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 1uua n PRO 11 Cb 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.43 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 -0.72 3.40 -2.66 0.00 5.02 -1.26 -4.93 118.16 117.00 1uua n LYS 13 Ca -0.01 -2.56 -0.43 0.00 -2.02 0.00 0.00 58.31 53.30 1uua n LYS 13 Cb 0.64 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uua s ALA 14 N -0.49 3.34 -0.13 7.82 0.00 -1.26 -3.61 121.76 127.42 1uua s ALA 14 Ca 0.60 -0.31 0.20 0.00 0.00 0.00 0.00 51.96 52.45 1uua s ALA 14 Cb 0.27 -3.73 0.45 0.00 0.00 0.00 0.00 23.12 20.10 1uua s ALA 14 CO -0.12 -1.82 1.17 -2.13 0.00 0.00 0.00 175.76 172.87 1uua n ARG 15 N 7.23 1.11 -3.42 0.00 3.00 -1.25 -4.91 116.66 118.41 1uua n ARG 15 Ca 0.11 -2.85 -0.04 0.00 -0.00 0.00 0.00 57.85 55.07 1uua n ARG 15 Cb 0.48 -0.95 -0.06 0.00 0.00 0.00 0.00 32.46 31.93 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uua s ILE 16 N -2.03 -0.77 -0.34 5.15 1.01 -1.26 -5.04 121.20 117.92 1uua s ILE 16 Ca 0.35 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 1uua s ILE 16 Cb 0.37 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1uua s ILE 16 CO -0.10 -0.03 0.60 -0.63 0.00 0.00 0.00 174.94 174.79 1uua s ILE 17 N 2.69 4.94 0.00 2.92 1.09 -1.26 0.23 121.20 131.81 1uua s ILE 17 Ca 0.09 0.61 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 1uua s ILE 17 Cb -0.14 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 1uua s ILE 17 CO -0.17 -0.23 0.00 0.54 -0.10 0.00 0.00 174.94 174.98 1uua n ARG 18 N 5.91 3.41 -4.49 2.79 5.12 2.01 -4.83 116.66 126.58 1uua n ARG 18 Ca -0.02 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.66 1uua n ARG 18 Cb 0.49 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.68 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1uua s TYR 19 N 2.35 2.16 0.23 -1.55 1.51 0.95 -0.06 117.35 122.95 1uua s TYR 19 Ca 0.00 -0.69 -0.22 0.00 -1.01 0.00 0.00 57.07 55.15 1uua s TYR 19 Cb 0.00 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1uua s TYR 19 CO 0.00 0.33 0.83 -0.59 -1.11 0.00 0.00 175.55 175.02 1uua s PHE 20 N -2.91 -0.13 -0.31 2.71 -0.71 0.65 -0.93 117.98 116.34 1uua s PHE 20 Ca 0.32 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.93 1uua s PHE 20 Cb 0.05 0.69 0.06 0.00 -1.21 0.00 0.00 43.02 42.62 1uua s PHE 20 CO 0.15 -1.09 0.01 -0.47 -1.34 0.00 0.00 175.22 172.48 1uua s TYR 21 N -3.49 3.35 -0.77 3.49 6.14 -1.26 -0.40 117.35 124.41 1uua s TYR 21 Ca 0.12 -2.10 -0.26 0.00 0.64 0.00 0.00 57.07 55.47 1uua s TYR 21 Cb -0.04 -2.29 0.01 0.00 0.42 0.00 0.00 41.96 40.06 1uua s TYR 21 CO 0.05 -0.85 1.51 -0.80 0.64 0.00 0.00 175.55 176.11 1uua s ASN 22 N 1.28 5.90 0.00 4.32 0.01 -0.18 -4.53 114.94 121.74 1uua s ASN 22 Ca -0.03 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1uua s ASN 22 Cb -0.20 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.91 1uua s ASN 22 CO -0.03 -2.00 0.58 0.00 -1.51 0.00 0.00 177.10 174.15 1uua n ALA 23 N 10.56 2.28 -0.11 0.60 0.00 -1.26 -0.82 120.51 131.76 1uua n ALA 23 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1uua n ALA 23 Cb 0.50 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N 0.29 0.66 -0.07 0.00 0.00 -1.26 -4.75 118.16 113.03 1uua n LYS 24 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 58.31 58.33 1uua n LYS 24 Cb 0.29 -1.54 -0.05 0.00 0.00 0.00 0.00 35.03 33.73 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uua n ALA 25 N -3.22 1.98 0.00 3.14 0.00 -1.04 -5.07 120.51 116.29 1uua n ALA 25 Ca -0.44 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1uua n ALA 25 Cb 1.00 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.72 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 2.09 2.82 3.94 0.00 0.00 -0.00 -5.13 105.19 108.91 1uua n GLY 26 Ca -0.26 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 3.00 -0.10 0.99 0.05 -1.25 -4.77 118.68 116.60 1uua s LEU 27 Ca 0.00 0.36 -0.08 0.00 0.05 0.00 0.00 54.13 54.46 1uua s LEU 27 Cb 0.00 -3.09 -0.04 0.00 -2.05 0.00 0.00 46.19 41.00 1uua s LEU 27 CO 0.00 -1.40 0.19 0.00 -0.55 0.00 0.00 176.35 174.58 1uua s GLN 29 N -1.03 0.96 -0.22 0.00 -0.21 0.46 -4.91 119.66 114.72 1uua s GLN 29 Ca 0.16 -1.35 -0.24 0.00 0.02 0.00 0.00 55.36 53.95 1uua s GLN 29 Cb -0.13 -0.52 -0.01 0.00 1.00 0.00 0.00 33.01 33.35 1uua s GLN 29 CO 0.06 0.06 0.79 0.95 -2.12 0.00 0.00 175.29 175.03 1uua s THR 30 N -3.15 4.88 0.54 -0.19 -4.23 -1.26 -0.25 115.64 111.98 1uua s THR 30 Ca 0.13 1.51 0.04 0.00 -1.18 0.00 0.00 61.69 62.18 1uua s THR 30 Cb 0.02 -4.09 0.02 0.00 1.34 0.00 0.00 72.50 69.79 1uua s THR 30 CO -0.01 -0.02 0.26 0.72 -0.54 0.00 0.00 174.62 175.04 1uua s PHE 31 N 2.51 1.68 0.00 3.99 -0.12 0.92 -4.87 117.98 122.09 1uua s PHE 31 Ca 0.34 -0.89 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 1uua s PHE 31 Cb -0.16 -1.80 0.00 0.00 -0.63 0.00 0.00 43.02 40.44 1uua s PHE 31 CO 0.09 -0.23 0.00 1.55 -0.05 0.00 0.00 175.22 176.58 1uua n VAL 32 N -1.59 0.00 -3.17 -2.49 3.14 -1.26 0.52 118.33 113.48 1uua n VAL 32 Ca -0.08 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.35 1uua n VAL 32 Cb 0.65 -1.31 -0.02 0.00 -1.06 0.00 0.00 33.84 32.10 1uua n VAL 32 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1uua s TYR 33 N 1.19 -0.51 0.44 1.45 5.04 0.14 -3.91 117.35 121.18 1uua s TYR 33 Ca 0.00 0.59 -0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1uua s TYR 33 Cb 0.00 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 1uua s TYR 33 CO 0.00 -0.28 0.67 0.20 -1.34 0.00 0.00 175.55 174.80 1uua s GLY 34 N 2.87 1.52 -0.21 8.97 0.00 -1.26 -3.95 107.32 115.25 1uua s GLY 34 Ca -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1uua s GLY 34 CO -0.12 -0.81 1.41 0.61 0.00 0.00 0.00 173.10 174.19 1uua n GLY 35 N -2.07 3.03 0.12 0.20 0.00 -1.24 -4.22 105.19 101.02 1uua n GLY 35 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.46 0.22 -0.30 0.00 0.52 -1.26 -5.14 118.95 110.52 1uua s ARG 37 Ca -0.33 0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 1uua s ARG 37 Cb 0.10 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1uua s ARG 37 CO 0.51 -0.03 0.22 0.00 0.02 0.00 0.00 175.30 176.02 1uua s ALA 38 N 0.12 3.52 0.10 2.13 0.00 -1.26 -4.77 121.76 121.61 1uua s ALA 38 Ca -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1uua s ALA 38 Cb -0.01 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1uua s ALA 38 CO 0.00 -0.68 0.12 1.63 0.00 0.00 0.00 175.76 176.83 1uua n LYS 39 N 5.10 0.93 0.00 0.00 4.76 -1.26 -5.10 118.16 122.58 1uua n LYS 39 Ca -0.13 -0.47 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 1uua n LYS 39 Cb 0.51 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 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 -1.19 0.00 -1.51 1.97 5.12 -1.26 -4.80 116.66 114.98 1uua n ARG 40 Ca 0.02 0.24 -0.40 0.00 -1.93 0.00 0.00 57.85 55.78 1uua n ARG 40 Cb 0.09 -0.72 -0.08 0.00 -1.16 0.00 0.00 32.46 30.60 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 -1.41 1.62 -3.75 0.55 4.05 -1.26 -4.90 115.26 110.16 1uua n ASN 41 Ca 0.00 -0.11 -0.12 0.00 0.45 0.00 0.00 54.58 54.80 1uua n ASN 41 Cb 0.00 -1.31 -0.11 0.00 1.23 0.00 0.00 39.78 39.59 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 10.25 -0.34 0.03 1.20 0.01 -1.26 -4.95 114.94 119.87 1uua s ASN 42 Ca 1.13 0.65 0.01 0.00 -0.71 0.00 0.00 52.86 53.94 1uua s ASN 42 Cb -0.66 0.61 -0.02 0.00 0.41 0.00 0.00 41.25 41.59 1uua s ASN 42 CO 0.38 -0.13 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.42 1uua s PHE 43 N 0.61 0.45 -0.24 2.20 0.08 -0.11 -4.96 117.98 116.01 1uua s PHE 43 Ca -0.04 -0.52 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 1uua s PHE 43 Cb -0.05 -0.29 -0.16 0.00 -0.57 0.00 0.00 43.02 41.95 1uua s PHE 43 CO -0.04 -0.14 -0.15 1.63 -0.10 0.00 0.00 175.22 176.42 1uua n LYS 44 N 1.53 0.62 -4.32 0.44 4.01 -1.26 -0.03 118.16 119.15 1uua n LYS 44 Ca -0.23 0.28 -0.16 0.00 -0.51 0.00 0.00 58.31 57.68 1uua n LYS 44 Cb 0.55 -1.57 -0.10 0.00 -0.51 0.00 0.00 35.03 33.40 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1uua s SER 45 N -7.07 1.42 0.02 4.39 0.01 -1.26 -4.73 113.70 106.48 1uua s SER 45 Ca -0.34 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.44 1uua s SER 45 Cb 0.11 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 1uua s SER 45 CO 0.57 -0.65 1.09 0.00 0.41 0.00 0.00 173.24 174.66 1uua h ALA 46 N 2.43 -1.00 -0.84 1.44 0.00 -1.96 0.16 119.26 119.49 1uua h ALA 46 Ca -0.38 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.57 1uua h ALA 46 Cb 1.23 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1uua h ALA 46 CO 0.63 -0.96 0.56 0.93 0.00 0.00 0.00 179.25 180.40 1uua h GLU 47 N -0.70 0.42 -0.05 0.00 5.08 -1.99 0.21 114.58 117.55 1uua h GLU 47 Ca -0.06 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 1uua h GLU 47 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1uua h GLU 47 CO 0.10 0.28 -0.71 -0.44 -1.00 0.00 0.00 179.01 177.23 1uua h ASP 48 N 0.43 0.32 -0.19 1.42 3.32 -1.97 -1.28 116.42 118.46 1uua h ASP 48 Ca 0.42 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1uua h ASP 48 Cb 1.00 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1uua h ASP 48 CO -0.15 0.93 0.06 0.00 -1.72 0.00 0.00 179.24 178.36 1uua h MET 50 N 0.13 0.17 -0.03 0.00 2.86 -1.27 -0.49 114.93 116.30 1uua h MET 50 Ca 0.06 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1uua h MET 50 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1uua h MET 50 CO -0.00 0.60 -0.19 0.00 1.06 0.00 0.00 176.91 178.38 1uua h ARG 51 N -0.25 0.05 0.02 1.72 -0.00 -1.25 -0.35 114.38 114.32 1uua h ARG 51 Ca 0.01 -0.01 -0.31 0.00 -0.50 0.00 0.00 59.98 59.17 1uua h ARG 51 Cb 0.57 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.48 1uua h ARG 51 CO 0.02 0.24 -1.80 2.41 0.00 0.00 0.00 179.97 180.84 1uua n THR 52 N -4.29 1.63 -0.07 2.04 -1.04 -0.00 -4.49 114.28 108.06 1uua n THR 52 Ca -0.02 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.05 61.10 1uua n THR 52 Cb 0.27 -1.15 -0.10 0.00 -1.82 0.00 0.00 70.33 67.52 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 1.63 2.70 0.00 0.00 0.00 -0.15 -4.75 105.19 104.62 1uua n GLY 54 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.86 3.79 -0.02 0.00 -1.26 -5.01 105.19 103.56 1uua n GLY 55 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32