#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 0.00 -0.62 -3.77 0.00 3.41 -1.26 -4.94 113.62 106.43 1c55 n SER 3 Ca 0.00 0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 58.64 1c55 n SER 3 Cb 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -3.29 4.38 -4.26 6.66 -2.24 -1.26 -4.93 114.28 109.34 1c55 n THR 4 Ca 0.00 -4.17 -0.21 0.00 -2.27 0.00 0.00 64.05 57.40 1c55 n THR 4 Cb 0.00 -2.35 -0.12 0.00 -2.10 0.00 0.00 70.33 65.76 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 -2.13 3.63 -0.04 0.00 1.43 -0.98 -4.99 118.68 115.60 1c55 s LEU 6 Ca 0.07 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1c55 s LEU 6 Cb -0.08 -2.26 0.29 0.00 0.03 0.00 0.00 46.19 44.17 1c55 s LEU 6 CO 0.04 -0.36 1.12 -0.67 0.23 0.00 0.00 176.35 176.71 1c55 n ASP 7 N -1.39 2.19 -4.46 2.29 2.03 -1.26 -4.69 116.55 111.25 1c55 n ASP 7 Ca -0.02 -2.17 -0.27 0.00 0.52 0.00 0.00 54.79 52.85 1c55 n ASP 7 Cb 0.60 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.05 2.57 0.73 -2.67 1.43 -1.26 -5.09 118.68 113.34 1c55 s LEU 8 Ca 0.21 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1c55 s LEU 8 Cb 0.13 -1.29 0.10 0.00 0.03 0.00 0.00 46.19 45.17 1c55 s LEU 8 CO 0.10 0.12 1.03 0.00 0.23 0.00 0.00 176.35 177.83 1c55 s ALA 9 N -1.70 3.26 0.26 4.21 0.00 -1.26 -2.59 121.76 123.94 1c55 s ALA 9 Ca 0.22 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1c55 s ALA 9 Cb -0.08 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1c55 s ALA 9 CO 0.11 -1.47 0.43 0.00 0.00 0.00 0.00 175.76 174.83 1c55 n GLY 11 N -1.26 2.11 3.44 0.00 0.00 -1.26 -4.98 105.19 103.24 1c55 n GLY 11 Ca -0.06 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 2.58 0.02 4.61 0.00 -1.26 -5.05 121.76 122.66 1c55 s ALA 12 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 1c55 s ALA 12 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 1c55 s ALA 12 CO 0.00 0.53 1.16 0.77 0.00 0.00 0.00 175.76 178.22 1c55 h SER 13 N 5.44 -0.53 -0.17 0.00 0.02 -2.00 -2.46 113.55 113.85 1c55 h SER 13 Ca -0.45 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1c55 h SER 13 Cb 1.15 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1c55 h SER 13 CO 0.50 -0.36 0.27 0.08 -1.14 0.00 0.00 176.83 176.18 1c55 h ARG 14 N -0.68 0.00 0.40 3.45 0.11 -1.96 0.43 114.38 116.12 1c55 h ARG 14 Ca -0.06 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 1c55 h ARG 14 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1c55 h ARG 14 CO 0.11 0.00 -0.19 1.49 0.10 0.00 0.00 179.97 181.48 1c55 h GLU 15 N 0.00 -0.51 0.00 0.08 4.81 -1.90 -2.69 114.58 114.36 1c55 h GLU 15 Ca 0.08 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1c55 h GLU 15 Cb 0.62 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1c55 h GLU 15 CO -0.00 -0.20 -0.50 0.00 -0.73 0.00 0.00 179.01 177.58 1c55 h TYR 17 N 0.00 0.50 -0.19 0.00 5.03 -0.22 -2.20 116.97 119.88 1c55 h TYR 17 Ca 0.00 -0.18 0.05 0.00 2.58 0.00 0.00 58.73 61.17 1c55 h TYR 17 Cb 0.95 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.09 1c55 h TYR 17 CO 0.00 0.87 -0.11 0.22 -1.32 0.00 0.00 178.16 177.82 1c55 h ASP 18 N -0.01 -0.36 0.36 -2.11 3.58 -1.60 -1.07 116.42 115.20 1c55 h ASP 18 Ca 0.00 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1c55 h ASP 18 Cb 0.84 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1c55 h ASP 18 CO 0.06 -0.14 -0.17 1.55 -2.88 0.00 0.00 179.24 177.65 1c55 h PRO 19 N -0.10 -0.47 -1.43 0.28 0.13 -1.69 -2.32 132.00 126.42 1c55 h PRO 19 Ca 0.11 0.03 0.41 0.00 -0.87 0.00 0.00 66.00 65.69 1c55 h PRO 19 Cb 0.26 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.44 1c55 h PRO 19 CO -0.25 -0.31 1.03 0.00 -0.23 0.00 0.00 178.00 178.23 1c55 h PHE 21 N 0.00 -0.22 0.00 0.00 3.57 -1.07 -2.25 116.94 116.98 1c55 h PHE 21 Ca 0.68 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.18 1c55 h PHE 21 Cb 2.72 0.07 0.00 0.00 2.79 0.00 0.00 35.95 41.53 1c55 h PHE 21 CO -0.00 0.18 0.00 1.63 -2.23 0.00 0.00 178.31 177.89 1c55 n LYS 22 N -5.00 0.05 0.00 1.11 5.02 0.61 -1.24 118.16 118.71 1c55 n LYS 22 Ca -0.09 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1c55 n LYS 22 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.47 0.00 1.23 7.82 0.00 0.22 -4.52 120.51 123.78 1c55 n ALA 23 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1c55 n ALA 23 Cb 0.30 0.00 0.39 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 -1.41 0.18 0.00 0.00 3.72 -0.86 -4.92 117.46 114.18 1c55 n PHE 24 Ca 0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1c55 n PHE 24 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.16 1.76 3.51 1.37 0.00 -0.37 -4.91 105.19 107.70 1c55 n GLY 25 Ca 0.17 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 3.30 -1.20 1.61 0.52 -1.26 -4.65 118.95 117.28 1c55 s ARG 26 Ca 0.00 -0.56 -0.19 0.00 -0.52 0.00 0.00 55.73 54.46 1c55 s ARG 26 Cb 0.00 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1c55 s ARG 26 CO 0.00 -0.74 1.98 0.00 0.02 0.00 0.00 175.30 176.55 1c55 n ALA 27 N 5.60 3.83 -3.49 2.13 0.00 -1.26 -4.52 120.51 122.80 1c55 n ALA 27 Ca -0.07 -3.58 -0.26 0.00 0.00 0.00 0.00 53.44 49.52 1c55 n ALA 27 Cb 0.48 -3.57 -0.13 0.00 0.00 0.00 0.00 19.45 16.23 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 5.28 0.23 0.34 0.00 5.04 -1.26 -4.90 115.29 120.01 1c55 s HIS 28 Ca 0.55 -0.90 -0.04 0.00 -1.54 0.00 0.00 55.06 53.14 1c55 s HIS 28 Cb 0.09 -0.80 0.00 0.00 0.04 0.00 0.00 32.58 31.91 1c55 s HIS 28 CO 0.04 -0.85 0.49 0.20 -2.34 0.00 0.00 174.74 172.28 1c55 s GLY 29 N 1.92 1.36 0.00 1.59 0.00 -1.26 -2.41 107.32 108.52 1c55 s GLY 29 Ca 0.11 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1c55 s GLY 29 CO -0.28 -0.94 0.00 0.28 0.00 0.00 0.00 173.10 172.16 1c55 n LYS 30 N -0.55 3.97 -3.94 2.90 5.02 0.42 -4.83 118.16 121.15 1c55 n LYS 30 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1c55 n LYS 30 Cb 0.62 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.49 1c55 n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c55 s MET 32 N -0.47 4.02 -1.35 0.00 1.75 0.52 -4.11 119.30 119.66 1c55 s MET 32 Ca 0.18 0.56 -0.06 0.00 -1.25 0.00 0.00 55.69 55.13 1c55 s MET 32 Cb -0.22 -3.70 0.02 0.00 2.84 0.00 0.00 34.83 33.77 1c55 s MET 32 CO -0.03 -0.56 0.99 0.09 -0.65 0.00 0.00 175.02 174.86 1c55 n ASN 33 N 5.97 -3.77 0.00 1.11 4.13 -1.26 -0.69 115.26 120.75 1c55 n ASN 33 Ca 0.02 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.60 1c55 n ASN 33 Cb 0.48 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.14 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 -3.02 -0.11 -4.58 6.41 5.03 -1.26 -4.97 115.26 112.77 1c55 n ASN 34 Ca -0.13 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.02 1c55 n ASN 34 Cb 0.61 -1.24 -0.10 0.00 -1.02 0.00 0.00 39.78 38.03 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 -0.50 2.18 -0.14 3.52 -0.14 0.13 -1.74 119.74 123.04 1c55 s LYS 35 Ca 0.00 -0.99 -0.29 0.00 -1.36 0.00 0.00 55.97 53.33 1c55 s LYS 35 Cb 0.00 -2.33 -0.01 0.00 -1.68 0.00 0.00 37.83 33.81 1c55 s LYS 35 CO 0.00 0.52 0.99 0.00 -0.76 0.00 0.00 175.35 176.10 1c55 s ARG 37 N 2.30 3.20 0.16 0.00 3.00 0.16 -2.33 118.95 125.44 1c55 s ARG 37 Ca 0.46 -0.77 0.06 0.00 -1.00 0.00 0.00 55.73 54.48 1c55 s ARG 37 Cb -0.17 -2.53 -0.04 0.00 0.00 0.00 0.00 34.95 32.21 1c55 s ARG 37 CO 0.14 0.11 0.05 0.00 0.00 0.00 0.00 175.30 175.60 1c55 s TYR 39 N -1.66 0.99 0.00 0.00 -0.85 -1.01 -4.66 117.35 110.15 1c55 s TYR 39 Ca 0.28 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 1c55 s TYR 39 Cb -0.10 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.57 1c55 s TYR 39 CO 0.20 -0.07 0.13 -2.37 -1.52 0.00 0.00 175.55 171.92