#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brb n GLY 6 N 0.00 -1.22 3.78 0.00 0.00 -1.26 -4.37 105.19 102.13 1brb n GLY 6 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1brb n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1brb s GLU 7 N -3.10 4.06 0.74 1.61 -1.05 -1.26 -4.86 118.70 114.83 1brb s GLU 7 Ca 0.07 1.49 -0.15 0.00 -0.15 0.00 0.00 54.97 56.24 1brb s GLU 7 Cb 0.15 -2.43 0.04 0.00 -0.44 0.00 0.00 34.13 31.46 1brb s GLU 7 CO 0.77 -0.23 1.20 -1.25 0.95 0.00 0.00 175.26 176.70 1brb s PRO 8 N -2.68 2.09 0.22 -4.83 0.04 -1.26 -4.93 135.00 123.65 1brb s PRO 8 Ca 0.60 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 1brb s PRO 8 Cb -0.21 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1brb s PRO 8 CO 0.26 -1.87 1.47 -1.25 0.04 0.00 0.00 177.00 175.65 1brb s PRO 9 N -3.97 4.26 -0.32 0.56 0.04 -1.26 -4.96 135.00 129.35 1brb s PRO 9 Ca 0.74 2.30 -0.06 0.00 0.04 0.00 0.00 61.00 64.02 1brb s PRO 9 Cb -0.28 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1brb s PRO 9 CO 0.46 -0.46 0.07 -0.47 0.04 0.00 0.00 177.00 176.64 1brb s TYR 10 N 0.30 3.21 0.24 0.56 5.04 -1.26 -4.96 117.35 120.48 1brb s TYR 10 Ca 0.62 -1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 53.88 1brb s TYR 10 Cb -0.42 -2.24 0.26 0.00 0.35 0.00 0.00 41.96 39.92 1brb s TYR 10 CO 0.40 -0.69 1.64 1.15 -1.34 0.00 0.00 175.55 176.71 1brb h THR 11 N 6.11 1.28 0.00 4.34 2.02 -1.95 -3.44 112.91 121.27 1brb h THR 11 Ca -0.26 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1brb h THR 11 Cb 1.09 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1brb h THR 11 CO 0.59 0.45 0.00 0.61 0.37 0.00 0.00 175.52 177.54 1brb n GLY 12 N -0.20 -0.67 0.11 2.16 0.00 -1.26 -0.27 105.19 105.05 1brb n GLY 12 Ca -0.01 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1brb n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1brb h PRO 13 N 0.00 0.00 -7.19 1.61 0.13 -1.93 -3.44 132.00 121.19 1brb h PRO 13 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1brb h PRO 13 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1brb h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1brb n LYS 15 N -1.68 2.46 -2.35 0.00 5.02 -1.23 -4.29 118.16 116.10 1brb n LYS 15 Ca 0.07 -3.35 -0.26 0.00 -2.02 0.00 0.00 58.31 52.76 1brb n LYS 15 Cb 0.54 -2.10 0.05 0.00 -0.02 0.00 0.00 35.03 33.49 1brb n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brb s ALA 16 N -3.48 3.29 -0.47 7.82 0.00 -0.56 -5.05 121.76 123.32 1brb s ALA 16 Ca 0.54 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1brb s ALA 16 Cb 0.45 -2.56 0.12 0.00 0.00 0.00 0.00 23.12 21.14 1brb s ALA 16 CO 0.03 -0.98 0.25 0.50 0.00 0.00 0.00 175.76 175.55 1brb s ARG 17 N -5.07 2.08 -0.18 0.00 3.52 -1.26 -4.21 118.95 113.83 1brb s ARG 17 Ca 0.56 -2.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.09 1brb s ARG 17 Cb -0.11 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1brb s ARG 17 CO 0.44 -1.09 -0.20 0.42 -0.81 0.00 0.00 175.30 174.07 1brb s ILE 18 N 0.67 2.11 -0.20 4.11 1.01 -0.44 -4.96 121.20 123.52 1brb s ILE 18 Ca 0.12 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 1brb s ILE 18 Cb -0.22 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1brb s ILE 18 CO -0.04 0.54 0.92 -0.63 0.00 0.00 0.00 174.94 175.73 1brb s ILE 19 N 1.25 4.79 0.30 2.92 1.09 -1.26 0.06 121.20 130.35 1brb s ILE 19 Ca 0.04 1.80 0.04 0.00 -1.10 0.00 0.00 60.65 61.42 1brb s ILE 19 Cb -0.13 -4.21 -0.06 0.00 -1.06 0.00 0.00 42.46 37.00 1brb s ILE 19 CO -0.11 -0.06 0.04 -0.13 -0.10 0.00 0.00 174.94 174.57 1brb s ARG 20 N 2.62 1.57 -0.03 2.79 1.81 -0.19 -4.94 118.95 122.59 1brb s ARG 20 Ca 0.41 -1.85 -0.00 0.00 -1.72 0.00 0.00 55.73 52.56 1brb s ARG 20 Cb -0.16 -0.79 -0.04 0.00 -0.45 0.00 0.00 34.95 33.51 1brb s ARG 20 CO 0.10 -0.17 0.03 0.71 -0.68 0.00 0.00 175.30 175.29 1brb s TYR 21 N -3.34 3.18 0.11 -0.53 1.51 0.28 -0.56 117.35 118.01 1brb s TYR 21 Ca 0.35 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1brb s TYR 21 Cb 0.08 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1brb s TYR 21 CO 0.14 0.50 -0.14 -0.59 -1.11 0.00 0.00 175.55 174.36 1brb s PHE 22 N -1.06 1.35 -0.33 2.71 -0.71 -0.19 -0.05 117.98 119.70 1brb s PHE 22 Ca 0.19 -0.55 -0.24 0.00 -1.04 0.00 0.00 56.93 55.28 1brb s PHE 22 Cb -0.12 -0.71 0.01 0.00 -1.21 0.00 0.00 43.02 40.99 1brb s PHE 22 CO 0.09 0.12 0.85 -0.47 -1.34 0.00 0.00 175.22 174.47 1brb s TYR 23 N -2.06 3.15 -0.67 3.49 5.04 -1.26 -0.56 117.35 124.48 1brb s TYR 23 Ca 0.07 0.79 -0.24 0.00 -2.44 0.00 0.00 57.07 55.25 1brb s TYR 23 Cb -0.05 -3.40 0.05 0.00 0.35 0.00 0.00 41.96 38.91 1brb s TYR 23 CO 0.03 -0.68 1.06 1.21 -1.34 0.00 0.00 175.55 175.83 1brb s ASN 24 N 1.73 6.19 0.06 4.32 3.84 0.12 -4.75 114.94 126.45 1brb s ASN 24 Ca 0.35 -0.74 -0.17 0.00 0.21 0.00 0.00 52.86 52.50 1brb s ASN 24 Cb -0.13 -2.47 -0.06 0.00 -0.55 0.00 0.00 41.25 38.04 1brb s ASN 24 CO 0.15 -1.54 1.28 0.00 -2.79 0.00 0.00 177.10 174.20 1brb h ALA 25 N 9.68 -0.59 -1.08 1.71 0.00 -1.83 -0.92 119.26 126.24 1brb h ALA 25 Ca -0.28 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 53.89 1brb h ALA 25 Cb 1.06 0.88 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 1brb h ALA 25 CO 1.20 -0.72 1.96 0.36 0.00 0.00 0.00 179.25 182.06 1brb n LYS 26 N -4.07 3.32 0.00 0.00 2.85 -1.26 -0.93 118.16 118.06 1brb n LYS 26 Ca -0.02 -3.47 0.00 0.00 -1.05 0.00 0.00 58.31 53.77 1brb n LYS 26 Cb 0.18 -3.16 0.00 0.00 -0.65 0.00 0.00 35.03 31.40 1brb n LYS 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1brb n ALA 27 N 5.98 0.00 -1.25 0.58 0.00 -1.13 -5.02 120.51 119.66 1brb n ALA 27 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1brb n ALA 27 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1brb n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1brb n GLY 28 N 0.00 0.60 3.27 0.00 0.00 -0.11 -5.02 105.19 103.93 1brb n GLY 28 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1brb n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1brb n LEU 29 N -0.44 0.00 -4.68 0.99 -0.00 -1.18 -5.00 117.00 106.70 1brb n LEU 29 Ca -0.04 -2.83 -0.35 0.00 -0.00 0.00 0.00 56.01 52.79 1brb n LEU 29 Cb 0.18 2.38 -0.09 0.00 -0.00 0.00 0.00 43.42 45.89 1brb n LEU 29 CO 0.06 -0.62 -0.19 0.00 -0.00 0.00 0.00 177.39 176.63 1brb s GLN 31 N 0.65 1.62 0.20 0.00 -0.21 0.27 -4.92 119.66 117.27 1brb s GLN 31 Ca 0.07 -1.81 -0.14 0.00 0.02 0.00 0.00 55.36 53.50 1brb s GLN 31 Cb -0.12 -1.36 -0.07 0.00 1.00 0.00 0.00 33.01 32.45 1brb s GLN 31 CO 0.01 0.10 0.60 0.95 -2.12 0.00 0.00 175.29 174.83 1brb s THR 32 N -2.85 4.81 0.21 -0.19 -4.23 -1.26 -1.02 115.64 111.11 1brb s THR 32 Ca 0.30 0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 1brb s THR 32 Cb 0.02 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1brb s THR 32 CO 0.13 0.11 0.23 0.72 -0.54 0.00 0.00 174.62 175.27 1brb s PHE 33 N -1.63 0.93 -0.31 3.99 -0.71 0.28 -4.90 117.98 115.63 1brb s PHE 33 Ca 0.43 -1.19 -0.14 0.00 -1.04 0.00 0.00 56.93 54.98 1brb s PHE 33 Cb -0.14 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 1brb s PHE 33 CO 0.20 -0.74 0.34 0.08 -1.34 0.00 0.00 175.22 173.76 1brb s VAL 34 N -4.12 5.19 -0.08 -2.49 1.01 -1.26 -1.02 120.40 117.62 1brb s VAL 34 Ca 0.34 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 1brb s VAL 34 Cb 0.05 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1brb s VAL 34 CO 0.11 0.03 0.28 -0.47 0.00 0.00 0.00 175.10 175.06 1brb s TYR 35 N 2.00 3.62 -0.61 5.22 5.04 0.11 -4.37 117.35 128.36 1brb s TYR 35 Ca 0.12 0.73 0.25 0.00 -2.44 0.00 0.00 57.07 55.73 1brb s TYR 35 Cb -0.16 -2.18 0.90 0.00 0.35 0.00 0.00 41.96 40.87 1brb s TYR 35 CO 0.11 0.58 1.75 0.41 -1.34 0.00 0.00 175.55 177.06 1brb n GLY 36 N 2.26 -1.49 0.00 8.97 0.00 0.62 -1.32 105.19 114.23 1brb n GLY 36 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1brb n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brb n GLY 37 N 0.66 1.73 3.31 -0.02 0.00 -1.26 -1.50 105.19 108.11 1brb n GLY 37 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1brb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brb n ARG 39 N -0.40 -2.58 -1.79 0.00 5.12 -1.26 -4.57 116.66 111.18 1brb n ARG 39 Ca 0.02 0.31 -0.41 0.00 -1.93 0.00 0.00 57.85 55.85 1brb n ARG 39 Cb 0.64 -4.41 0.00 0.00 -1.16 0.00 0.00 32.46 27.53 1brb n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1brb s ALA 40 N -3.91 3.52 0.58 7.54 0.00 -1.26 -4.84 121.76 123.38 1brb s ALA 40 Ca 0.18 1.57 0.05 0.00 0.00 0.00 0.00 51.96 53.76 1brb s ALA 40 Cb -0.10 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.48 1brb s ALA 40 CO 0.93 -1.10 0.80 0.15 0.00 0.00 0.00 175.76 176.54 1brb s LYS 41 N -2.17 2.28 0.34 0.00 1.02 -1.26 -5.04 119.74 114.91 1brb s LYS 41 Ca 0.54 -1.27 0.13 0.00 0.02 0.00 0.00 55.97 55.39 1brb s LYS 41 Cb -0.46 -2.56 0.61 0.00 -0.52 0.00 0.00 37.83 34.90 1brb s LYS 41 CO 0.62 -0.88 1.75 0.07 -0.92 0.00 0.00 175.35 176.00 1brb h ARG 42 N 0.06 0.00 -4.20 1.68 -0.00 -1.99 -3.32 114.38 106.62 1brb h ARG 42 Ca -0.36 0.00 -0.71 0.00 -0.00 0.00 0.00 59.98 58.91 1brb h ARG 42 Cb 1.28 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.19 1brb h ARG 42 CO 0.43 0.45 2.84 -1.71 -0.00 0.00 0.00 179.97 181.99 1brb n ASN 43 N -3.93 4.19 -3.23 0.08 5.15 -1.26 -4.71 115.26 111.55 1brb n ASN 43 Ca -0.01 -2.89 0.03 0.00 -0.60 0.00 0.00 54.58 51.11 1brb n ASN 43 Cb 0.48 -1.65 -0.02 0.00 -0.53 0.00 0.00 39.78 38.07 1brb n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1brb s ASN 44 N 3.03 -1.20 0.07 1.20 3.84 -1.24 -4.52 114.94 116.14 1brb s ASN 44 Ca 0.47 0.89 0.05 0.00 0.21 0.00 0.00 52.86 54.48 1brb s ASN 44 Cb 0.12 2.06 -0.03 0.00 -0.55 0.00 0.00 41.25 42.85 1brb s ASN 44 CO -0.05 -0.22 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.54 1brb s PHE 45 N 2.86 1.14 -0.98 0.43 0.40 0.93 -4.92 117.98 117.84 1brb s PHE 45 Ca 0.13 -0.49 0.28 0.00 -0.60 0.00 0.00 56.93 56.25 1brb s PHE 45 Cb -0.14 -0.64 0.99 0.00 0.51 0.00 0.00 43.02 43.75 1brb s PHE 45 CO -0.19 0.04 1.77 1.63 0.70 0.00 0.00 175.22 179.16 1brb n LYS 46 N 1.17 0.02 -3.97 0.44 5.02 -1.26 -0.56 118.16 119.01 1brb n LYS 46 Ca -0.20 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1brb n LYS 46 Cb 0.55 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1brb n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1brb s SER 47 N -3.11 0.29 0.12 4.39 1.04 -1.26 -4.86 113.70 110.31 1brb s SER 47 Ca 0.13 -0.83 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 1brb s SER 47 Cb 0.18 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1brb s SER 47 CO 0.58 -0.67 1.62 0.00 0.98 0.00 0.00 173.24 175.75 1brb h ALA 48 N 2.93 0.46 -0.44 5.32 0.00 -1.96 -2.81 119.26 122.77 1brb h ALA 48 Ca -0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1brb h ALA 48 Cb 1.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1brb h ALA 48 CO 0.61 0.12 0.10 1.05 0.00 0.00 0.00 179.25 181.13 1brb h GLU 49 N 0.42 0.65 -0.60 0.00 9.09 -1.99 0.64 114.58 122.79 1brb h GLU 49 Ca 0.11 -0.12 0.03 0.00 0.05 0.00 0.00 59.36 59.43 1brb h GLU 49 Cb 0.29 -0.11 -0.04 0.00 -1.65 0.00 0.00 28.75 27.24 1brb h GLU 49 CO -0.00 0.60 0.36 0.22 0.05 0.00 0.00 179.01 180.24 1brb h ASP 50 N 0.64 0.58 -0.04 3.06 3.58 -1.97 -1.92 116.42 120.35 1brb h ASP 50 Ca 0.14 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1brb h ASP 50 Cb 0.25 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1brb h ASP 50 CO -0.00 0.40 -0.00 0.00 -2.88 0.00 0.00 179.24 176.76 1brb h MET 52 N -0.23 0.74 0.80 0.00 2.86 -0.79 -2.47 114.93 115.84 1brb h MET 52 Ca 0.01 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1brb h MET 52 Cb 0.34 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1brb h MET 52 CO 0.00 0.62 -0.42 -0.09 1.06 0.00 0.00 176.91 178.08 1brb h ARG 53 N 0.69 -1.08 -0.15 1.72 2.43 -1.35 -2.98 114.38 113.66 1brb h ARG 53 Ca 0.18 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1brb h ARG 53 Cb 0.12 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1brb h ARG 53 CO -0.02 -0.72 0.11 1.15 -1.51 0.00 0.00 179.97 178.98 1brb h THR 54 N -1.12 0.88 0.00 0.20 2.02 -1.27 -3.52 112.91 110.11 1brb h THR 54 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1brb h THR 54 Cb 0.87 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1brb h THR 54 CO 0.15 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.04