#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 -0.28 -2.09 -2.90 0.00 3.41 -1.26 -4.94 113.62 105.56 1c55 n SER 3 Ca -0.03 0.66 -0.32 0.00 -0.26 0.00 0.00 58.87 58.92 1c55 n SER 3 Cb 0.63 2.07 -0.04 0.00 -0.26 0.00 0.00 64.21 66.62 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 -3.41 4.13 -4.82 6.66 -2.24 -1.26 -4.91 114.28 108.43 1c55 n THR 4 Ca 0.00 -3.57 -0.25 0.00 -2.27 0.00 0.00 64.05 57.96 1c55 n THR 4 Cb 0.00 -1.78 -0.15 0.00 -2.10 0.00 0.00 70.33 66.30 1c55 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c55 n LEU 6 N 2.52 0.00 -0.87 0.00 4.77 -1.04 -4.96 117.00 117.42 1c55 n LEU 6 Ca -0.15 -0.56 0.04 0.00 -0.03 0.00 0.00 56.01 55.30 1c55 n LEU 6 Cb 0.54 -0.18 0.22 0.00 -2.33 0.00 0.00 43.42 41.66 1c55 n LEU 6 CO 0.24 -0.64 0.67 -0.67 -1.33 0.00 0.00 177.39 175.66 1c55 n ASP 7 N -2.99 3.07 -4.88 -1.43 2.03 -1.26 -4.72 116.55 106.36 1c55 n ASP 7 Ca 0.04 -3.34 -0.25 0.00 0.52 0.00 0.00 54.79 51.76 1c55 n ASP 7 Cb 0.16 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 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 -3.01 4.08 0.59 -2.67 1.43 -1.26 -5.01 118.68 112.83 1c55 s LEU 8 Ca 0.42 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1c55 s LEU 8 Cb 0.36 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1c55 s LEU 8 CO 0.04 0.04 1.04 0.00 0.23 0.00 0.00 176.35 177.69 1c55 s ALA 9 N -1.81 2.83 0.25 4.21 0.00 -1.26 -1.56 121.76 124.43 1c55 s ALA 9 Ca 0.33 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1c55 s ALA 9 Cb -0.10 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1c55 s ALA 9 CO 0.26 -0.71 0.45 0.00 0.00 0.00 0.00 175.76 175.76 1c55 n GLY 11 N -1.05 0.01 2.61 0.00 0.00 -1.26 -4.88 105.19 100.63 1c55 n GLY 11 Ca -0.05 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 0.58 0.51 4.61 0.00 -1.26 -4.99 121.76 121.21 1c55 s ALA 12 Ca 0.00 -0.59 0.43 0.00 0.00 0.00 0.00 51.96 51.80 1c55 s ALA 12 Cb 0.00 -1.16 1.63 0.00 0.00 0.00 0.00 23.12 23.60 1c55 s ALA 12 CO 0.00 -1.30 1.59 0.77 0.00 0.00 0.00 175.76 176.82 1c55 h SER 13 N 8.38 0.08 -0.10 0.00 0.02 -1.98 1.13 113.55 121.09 1c55 h SER 13 Ca -0.16 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1c55 h SER 13 Cb 1.11 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1c55 h SER 13 CO 0.34 -0.10 -0.50 0.03 -1.14 0.00 0.00 176.83 175.46 1c55 h ARG 14 N 0.01 0.52 -0.87 3.45 3.08 -1.97 0.19 114.38 118.78 1c55 h ARG 14 Ca 0.90 -0.42 0.11 0.00 0.07 0.00 0.00 59.98 60.64 1c55 h ARG 14 Cb 3.32 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 33.38 1c55 h ARG 14 CO -0.19 1.05 0.50 1.49 -1.07 0.00 0.00 179.97 181.76 1c55 h GLU 15 N 0.12 0.77 0.00 0.04 4.81 0.91 0.87 114.58 122.11 1c55 h GLU 15 Ca -0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1c55 h GLU 15 Cb 1.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1c55 h GLU 15 CO 0.10 0.51 -0.47 0.00 -0.73 0.00 0.00 179.01 178.42 1c55 h TYR 17 N 0.00 0.76 0.20 0.00 5.03 0.19 0.20 116.97 123.35 1c55 h TYR 17 Ca 0.00 -0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.28 1c55 h TYR 17 Cb 0.82 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 1c55 h TYR 17 CO 0.00 0.60 -0.40 0.22 -1.32 0.00 0.00 178.16 177.27 1c55 h ASP 18 N 0.69 -1.14 0.50 -2.11 1.82 -1.56 0.66 116.42 115.29 1c55 h ASP 18 Ca 0.18 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 1c55 h ASP 18 Cb 0.14 0.41 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1c55 h ASP 18 CO -0.02 -0.49 -0.24 1.55 -1.61 0.00 0.00 179.24 178.42 1c55 h PRO 19 N -0.68 -0.65 -1.07 0.28 0.13 -1.70 -2.66 132.00 125.64 1c55 h PRO 19 Ca 0.01 0.04 0.31 0.00 -0.87 0.00 0.00 66.00 65.49 1c55 h PRO 19 Cb 0.68 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.91 1c55 h PRO 19 CO -0.18 -0.35 0.77 0.00 -0.23 0.00 0.00 178.00 178.01 1c55 h PHE 21 N 0.01 0.14 -0.00 0.00 3.04 -0.58 -2.22 116.94 117.34 1c55 h PHE 21 Ca 0.51 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.43 1c55 h PHE 21 Cb 2.03 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 40.51 1c55 h PHE 21 CO -0.00 0.45 -0.13 1.63 -2.02 0.00 0.00 178.31 178.24 1c55 n LYS 22 N -4.82 0.19 0.00 1.11 5.02 0.68 -1.90 118.16 118.44 1c55 n LYS 22 Ca -0.07 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1c55 n LYS 22 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1c55 n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c55 n ALA 23 N -1.36 0.00 1.25 7.82 0.00 0.29 -4.56 120.51 123.95 1c55 n ALA 23 Ca 0.09 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1c55 n ALA 23 Cb 0.31 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.14 1c55 n ALA 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1c55 n PHE 24 N -1.35 0.00 0.00 0.00 3.72 -0.85 -4.91 117.46 114.07 1c55 n PHE 24 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1c55 n PHE 24 Cb 0.00 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1c55 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c55 n GLY 25 N 1.33 2.41 2.93 1.37 0.00 -0.80 -4.96 105.19 107.48 1c55 n GLY 25 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 1.25 -0.97 1.61 3.00 -1.24 -4.89 118.95 117.48 1c55 s ARG 26 Ca 0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 55.73 53.87 1c55 s ARG 26 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 1c55 s ARG 26 CO 0.00 -0.95 1.89 0.00 0.00 0.00 0.00 175.30 176.25 1c55 s ALA 27 N 1.13 1.81 -0.48 2.13 0.00 -1.26 -4.64 121.76 120.45 1c55 s ALA 27 Ca 0.10 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.41 1c55 s ALA 27 Cb -0.18 -4.57 0.19 0.00 0.00 0.00 0.00 23.12 18.55 1c55 s ALA 27 CO -0.13 -4.74 0.77 -1.58 0.00 0.00 0.00 175.76 170.08 1c55 s HIS 28 N 9.65 -1.44 0.00 0.00 5.04 -1.26 -4.97 115.29 122.31 1c55 s HIS 28 Ca 0.67 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.80 1c55 s HIS 28 Cb -0.05 0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.85 1c55 s HIS 28 CO 0.01 -1.11 0.00 0.41 -2.34 0.00 0.00 174.74 171.71 1c55 n GLY 29 N 3.10 5.71 0.00 1.59 0.00 -1.26 -2.51 105.19 111.82 1c55 n GLY 29 Ca 0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1c55 n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c55 n LYS 30 N 0.00 0.00 -3.57 1.61 3.00 0.26 -4.91 118.16 114.55 1c55 n LYS 30 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1c55 n LYS 30 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1c55 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c55 s MET 32 N 1.38 1.95 -1.54 0.00 1.75 0.29 -4.66 119.30 118.47 1c55 s MET 32 Ca 0.05 -1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 53.34 1c55 s MET 32 Cb -0.25 -2.14 0.07 0.00 2.84 0.00 0.00 34.83 35.35 1c55 s MET 32 CO 0.00 0.52 0.59 -1.71 -0.65 0.00 0.00 175.02 173.77 1c55 n ASN 33 N 1.31 -1.80 -0.91 1.11 2.85 -1.26 0.19 115.26 116.75 1c55 n ASN 33 Ca -0.16 -1.00 -0.10 0.00 -0.11 0.00 0.00 54.58 53.20 1c55 n ASN 33 Cb 0.52 -2.94 -0.04 0.00 1.24 0.00 0.00 39.78 38.56 1c55 n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1c55 n ASN 34 N -2.84 -4.76 -3.69 1.20 5.03 -1.26 -4.90 115.26 104.04 1c55 n ASN 34 Ca -0.13 0.26 -0.23 0.00 0.87 0.00 0.00 54.58 55.35 1c55 n ASN 34 Cb 0.60 -3.69 -0.06 0.00 -1.02 0.00 0.00 39.78 35.60 1c55 n ASN 34 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1c55 n LYS 35 N -0.96 0.65 -3.63 3.52 5.02 0.50 -1.16 118.16 122.09 1c55 n LYS 35 Ca -0.10 -3.10 -0.37 0.00 -2.02 0.00 0.00 58.31 52.71 1c55 n LYS 35 Cb 0.51 1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 37.01 1c55 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c55 s ARG 37 N 1.41 3.36 0.03 0.00 3.00 0.96 -2.51 118.95 125.20 1c55 s ARG 37 Ca 0.07 -0.64 -0.17 0.00 -1.00 0.00 0.00 55.73 53.99 1c55 s ARG 37 Cb -0.15 -2.94 -0.06 0.00 0.00 0.00 0.00 34.95 31.80 1c55 s ARG 37 CO 0.08 -0.15 0.48 0.00 0.00 0.00 0.00 175.30 175.71 1c55 s TYR 39 N -1.00 0.48 0.00 0.00 -0.85 -1.05 -4.48 117.35 110.45 1c55 s TYR 39 Ca 0.26 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1c55 s TYR 39 Cb -0.18 -0.30 0.00 0.00 0.38 0.00 0.00 41.96 41.86 1c55 s TYR 39 CO 0.16 -0.10 0.02 0.25 -1.52 0.00 0.00 175.55 174.36