#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c55 n SER 3 N 4.63 0.78 -0.71 0.00 3.41 -1.26 -4.74 113.62 115.72 1c55 n SER 3 Ca -0.19 0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.60 1c55 n SER 3 Cb 0.52 -0.25 0.23 0.00 -0.26 0.00 0.00 64.21 64.44 1c55 n SER 3 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1c55 n THR 4 N -3.21 0.46 -2.93 6.66 -2.24 -1.26 -4.86 114.28 106.89 1c55 n THR 4 Ca -0.01 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1c55 n THR 4 Cb 0.02 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1c55 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c55 s LEU 6 N 1.77 2.82 -0.08 0.00 1.43 -0.76 -4.97 118.68 118.90 1c55 s LEU 6 Ca 0.38 0.10 0.13 0.00 -1.03 0.00 0.00 54.13 53.71 1c55 s LEU 6 Cb -0.17 -2.38 0.52 0.00 0.03 0.00 0.00 46.19 44.19 1c55 s LEU 6 CO 0.14 -2.18 1.39 -0.67 0.23 0.00 0.00 176.35 175.26 1c55 n ASP 7 N -3.26 3.54 -4.61 2.29 2.03 -1.26 -4.60 116.55 110.67 1c55 n ASP 7 Ca 0.13 -2.30 -0.34 0.00 0.52 0.00 0.00 54.79 52.80 1c55 n ASP 7 Cb 0.60 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 1c55 n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1c55 s LEU 8 N -1.44 3.50 0.24 -2.67 1.43 -1.26 -5.06 118.68 113.42 1c55 s LEU 8 Ca 0.37 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 1c55 s LEU 8 Cb 0.24 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 1c55 s LEU 8 CO 0.18 0.27 1.27 0.00 0.23 0.00 0.00 176.35 178.30 1c55 s ALA 9 N -0.23 3.49 1.00 4.21 0.00 -1.26 -2.53 121.76 126.44 1c55 s ALA 9 Ca 0.05 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1c55 s ALA 9 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1c55 s ALA 9 CO 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 175.76 175.29 1c55 n GLY 11 N 2.89 3.80 2.79 0.00 0.00 -1.26 -4.99 105.19 108.42 1c55 n GLY 11 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1c55 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c55 s ALA 12 N 0.00 0.45 0.42 4.61 0.00 -1.26 -5.01 121.76 120.97 1c55 s ALA 12 Ca 0.00 0.07 0.27 0.00 0.00 0.00 0.00 51.96 52.29 1c55 s ALA 12 Cb 0.00 -0.49 1.36 0.00 0.00 0.00 0.00 23.12 23.99 1c55 s ALA 12 CO 0.00 -0.23 1.63 0.77 0.00 0.00 0.00 175.76 177.94 1c55 h SER 13 N 7.70 0.29 0.23 0.00 0.02 -1.99 1.37 113.55 121.17 1c55 h SER 13 Ca -0.31 0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 1c55 h SER 13 Cb 1.13 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1c55 h SER 13 CO 0.37 -0.18 -0.64 0.03 -1.14 0.00 0.00 176.83 175.27 1c55 h ARG 14 N 0.13 0.38 -0.48 3.45 3.08 -1.98 -1.11 114.38 117.85 1c55 h ARG 14 Ca 0.80 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.58 1c55 h ARG 14 Cb 2.37 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 32.44 1c55 h ARG 14 CO -0.46 0.89 0.32 1.49 -1.07 0.00 0.00 179.97 181.14 1c55 h GLU 15 N 0.28 0.63 0.00 0.04 4.81 0.14 -1.89 114.58 118.59 1c55 h GLU 15 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1c55 h GLU 15 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1c55 h GLU 15 CO 0.11 0.42 -0.34 0.00 -0.73 0.00 0.00 179.01 178.47 1c55 h TYR 17 N 0.00 -0.31 -0.77 0.00 5.03 -0.54 0.38 116.97 120.77 1c55 h TYR 17 Ca 0.00 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.45 1c55 h TYR 17 Cb 0.71 0.10 -0.14 0.00 1.55 0.00 0.00 36.73 38.95 1c55 h TYR 17 CO 0.00 -0.09 -0.22 0.22 -1.32 0.00 0.00 178.16 176.75 1c55 h ASP 18 N -1.05 -0.82 0.15 -2.11 1.82 -1.52 0.72 116.42 113.62 1c55 h ASP 18 Ca -0.03 0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 1c55 h ASP 18 Cb 0.36 0.51 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1c55 h ASP 18 CO 0.06 -0.27 -0.07 1.55 -1.61 0.00 0.00 179.24 178.89 1c55 h PRO 19 N -0.02 -0.20 -0.89 0.28 0.13 -1.69 -2.73 132.00 126.88 1c55 h PRO 19 Ca 0.36 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.76 1c55 h PRO 19 Cb 0.57 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1c55 h PRO 19 CO -0.80 -0.13 0.76 0.00 -0.23 0.00 0.00 178.00 177.60 1c55 h PHE 21 N 0.00 0.00 -0.00 0.00 3.57 0.43 -2.61 116.94 118.33 1c55 h PHE 21 Ca 0.42 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1c55 h PHE 21 Cb 1.94 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1c55 h PHE 21 CO 0.00 0.52 -0.03 1.17 -2.23 0.00 0.00 178.31 177.74 1c55 n LYS 22 N -4.84 0.91 0.00 1.11 3.00 0.24 -3.26 118.16 115.32 1c55 n LYS 22 Ca -0.09 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1c55 n LYS 22 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1c55 n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c55 n ALA 23 N -0.87 0.00 -0.07 3.14 0.00 0.97 -4.84 120.51 118.84 1c55 n ALA 23 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1c55 n ALA 23 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1c55 n ALA 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1c55 h PHE 24 N 0.00 0.00 0.00 0.00 0.04 -1.64 -3.50 116.94 111.84 1c55 h PHE 24 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1c55 h PHE 24 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1c55 h PHE 24 CO 0.00 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 1c55 n GLY 25 N 1.64 2.18 3.36 -1.45 0.00 -1.20 -5.07 105.19 104.64 1c55 n GLY 25 Ca -0.07 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1c55 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c55 s ARG 26 N 0.00 2.99 -1.09 1.61 1.81 -1.26 -4.85 118.95 118.16 1c55 s ARG 26 Ca 0.00 -1.47 -0.27 0.00 -1.72 0.00 0.00 55.73 52.27 1c55 s ARG 26 Cb 0.00 -4.20 -0.24 0.00 -0.45 0.00 0.00 34.95 30.06 1c55 s ARG 26 CO 0.00 -1.16 2.12 0.00 -0.68 0.00 0.00 175.30 175.57 1c55 n ALA 27 N 5.29 0.18 -3.35 2.13 0.00 -1.26 -4.74 120.51 118.76 1c55 n ALA 27 Ca -0.13 -2.23 -0.11 0.00 0.00 0.00 0.00 53.44 50.97 1c55 n ALA 27 Cb 0.42 -3.34 -0.08 0.00 0.00 0.00 0.00 19.45 16.45 1c55 n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1c55 s HIS 28 N 17.54 -0.79 0.09 0.00 5.04 -1.26 -4.97 115.29 130.94 1c55 s HIS 28 Ca 0.82 0.37 -0.03 0.00 -1.54 0.00 0.00 55.06 54.68 1c55 s HIS 28 Cb -0.05 -0.18 0.01 0.00 0.04 0.00 0.00 32.58 32.40 1c55 s HIS 28 CO 0.19 -0.86 0.17 0.41 -2.34 0.00 0.00 174.74 172.31 1c55 n GLY 29 N 5.35 1.88 0.00 1.59 0.00 -1.26 -2.56 105.19 110.19 1c55 n GLY 29 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1c55 n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c55 n LYS 30 N -0.12 0.56 -3.45 1.61 4.76 0.25 -4.89 118.16 116.89 1c55 n LYS 30 Ca -0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 1c55 n LYS 30 Cb 0.14 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.21 1c55 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c55 s MET 32 N 2.13 3.81 -1.38 0.00 1.75 0.67 -4.24 119.30 122.03 1c55 s MET 32 Ca 0.10 0.14 -0.12 0.00 -1.25 0.00 0.00 55.69 54.56 1c55 s MET 32 Cb -0.15 -3.25 0.10 0.00 2.84 0.00 0.00 34.83 34.37 1c55 s MET 32 CO -0.30 0.63 0.57 0.09 -0.65 0.00 0.00 175.02 175.36 1c55 n ASN 33 N 2.24 -3.45 0.00 1.11 4.13 -1.26 0.17 115.26 118.20 1c55 n ASN 33 Ca -0.16 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.53 1c55 n ASN 33 Cb 0.53 -2.86 0.00 0.00 -1.54 0.00 0.00 39.78 35.92 1c55 n ASN 33 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1c55 n ASN 34 N -2.38 0.00 -4.74 6.41 5.03 -1.26 -4.99 115.26 113.33 1c55 n ASN 34 Ca 0.02 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.17 1c55 n ASN 34 Cb 0.52 -0.53 -0.07 0.00 -1.02 0.00 0.00 39.78 38.68 1c55 n ASN 34 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1c55 s LYS 35 N -0.15 2.76 0.04 3.52 1.02 0.45 0.40 119.74 127.78 1c55 s LYS 35 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 1c55 s LYS 35 Cb 0.00 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1c55 s LYS 35 CO 0.00 0.55 1.39 0.00 -0.92 0.00 0.00 175.35 176.37 1c55 s ARG 37 N 1.93 3.18 0.15 0.00 3.52 -0.91 -1.83 118.95 124.99 1c55 s ARG 37 Ca 0.64 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1c55 s ARG 37 Cb -0.33 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1c55 s ARG 37 CO 0.28 -0.16 0.30 0.00 -0.81 0.00 0.00 175.30 174.91 1c55 s TYR 39 N -1.76 3.10 -0.75 0.00 1.13 -1.06 -4.70 117.35 113.31 1c55 s TYR 39 Ca 0.35 -0.22 0.06 0.00 -1.41 0.00 0.00 57.07 55.85 1c55 s TYR 39 Cb -0.11 -1.95 0.05 0.00 -1.10 0.00 0.00 41.96 38.85 1c55 s TYR 39 CO 0.29 0.04 0.69 0.25 -2.51 0.00 0.00 175.55 174.30