#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8y s ASP 3 N 3.26 -1.24 -1.40 0.00 -1.08 -1.26 -4.56 116.67 110.40 1i8y s ASP 3 Ca 0.29 1.16 -0.08 0.00 -0.52 0.00 0.00 52.55 53.40 1i8y s ASP 3 Cb -0.07 2.19 0.04 0.00 -1.46 0.00 0.00 42.92 43.62 1i8y s ASP 3 CO -0.09 -0.23 1.01 0.00 0.52 0.00 0.00 175.17 176.38 1i8y n ALA 4 N 5.43 -1.50 0.00 3.66 0.00 -1.26 -4.68 120.51 122.15 1i8y n ALA 4 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1i8y n ALA 4 Cb 0.50 -4.19 0.00 0.00 0.00 0.00 0.00 19.45 15.76 1i8y n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i8y n ALA 5 N -4.67 0.00 0.00 0.00 0.00 -1.26 -5.04 120.51 109.54 1i8y n ALA 5 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1i8y n ALA 5 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1i8y n ALA 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i8y n THR 6 N -2.36 1.17 -2.14 0.00 -1.04 -1.26 -5.13 114.28 103.51 1i8y n THR 6 Ca 0.00 0.30 -0.01 0.00 -2.04 0.00 0.00 64.05 62.30 1i8y n THR 6 Cb 0.00 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 66.75 1i8y n THR 6 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1i8y n ILE 7 N -3.65-10.94 -1.88 12.58 5.41 -1.26 -5.00 119.36 114.62 1i8y n ILE 7 Ca -0.04 2.40 -0.31 0.00 1.00 0.00 0.00 62.75 65.81 1i8y n ILE 7 Cb 0.15 -5.58 0.03 0.00 -0.71 0.00 0.00 39.64 33.53 1i8y n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i8y n PRO 9 N -2.87 0.29 -1.89 0.00 -0.02 -1.26 -4.84 135.00 124.41 1i8y n PRO 9 Ca 0.06 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1i8y n PRO 9 Cb 0.56 -1.39 -0.02 0.00 -0.02 0.00 0.00 33.50 32.62 1i8y n PRO 9 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1i8y s ASP 10 N -1.09 6.51 0.00 2.55 -4.77 -1.26 -2.13 116.67 116.48 1i8y s ASP 10 Ca 0.64 2.83 0.00 0.00 -3.30 0.00 0.00 52.55 52.71 1i8y s ASP 10 Cb -0.48 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 38.72 1i8y s ASP 10 CO 0.59 -0.81 0.00 0.61 0.70 0.00 0.00 175.17 176.27 1i8y n GLY 11 N 2.01 0.56 3.26 2.12 0.00 -1.26 -5.01 105.19 106.87 1i8y n GLY 11 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1i8y n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i8y s THR 12 N -2.06 1.56 0.16 2.61 -4.23 -0.90 -4.54 115.64 108.24 1i8y s THR 12 Ca 0.00 -1.51 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1i8y s THR 12 Cb 0.00 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 1i8y s THR 12 CO 0.00 -0.12 -0.25 0.28 -0.54 0.00 0.00 174.62 173.98 1i8y s THR 13 N -1.26 2.30 -0.15 3.99 -1.32 -1.26 -4.74 115.64 113.21 1i8y s THR 13 Ca 0.05 -1.91 -0.01 0.00 -1.21 0.00 0.00 61.69 58.61 1i8y s THR 13 Cb -0.10 -2.07 -0.01 0.00 -1.51 0.00 0.00 72.50 68.82 1i8y s THR 13 CO 0.04 -0.03 -0.13 0.00 -2.21 0.00 0.00 174.62 172.29 1i8y s SER 15 N 0.71 3.68 -0.32 0.00 0.01 -1.15 -4.90 113.70 111.72 1i8y s SER 15 Ca -0.06 -0.55 -0.27 0.00 1.31 0.00 0.00 55.95 56.37 1i8y s SER 15 Cb -0.15 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.61 1i8y s SER 15 CO 0.02 0.21 0.99 -0.22 0.41 0.00 0.00 173.24 174.65 1i8y s LEU 16 N -1.80 3.98 0.63 2.44 0.20 -1.26 -3.60 118.68 119.26 1i8y s LEU 16 Ca 0.15 0.90 -0.14 0.00 0.69 0.00 0.00 54.13 55.73 1i8y s LEU 16 Cb -0.10 -3.40 -0.02 0.00 -0.43 0.00 0.00 46.19 42.24 1i8y s LEU 16 CO 0.07 -0.82 1.05 -0.94 -0.29 0.00 0.00 176.35 175.42 1i8y s SER 17 N 1.68 5.67 0.11 3.68 1.04 -0.49 -4.90 113.70 120.49 1i8y s SER 17 Ca 0.42 1.71 0.07 0.00 0.48 0.00 0.00 55.95 58.63 1i8y s SER 17 Cb -0.13 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 63.87 1i8y s SER 17 CO 0.15 -1.25 1.20 -0.81 0.98 0.00 0.00 173.24 173.51 1i8y n PRO 18 N -2.48 0.05 0.00 4.02 -0.04 -1.26 -1.46 135.00 133.83 1i8y n PRO 18 Ca 0.08 0.53 -0.22 0.00 -0.04 0.00 0.00 63.50 63.85 1i8y n PRO 18 Cb 0.53 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1i8y n PRO 18 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1i8y h TYR 19 N 0.00 0.45 0.00 0.54 -1.99 -2.02 -3.49 116.97 110.46 1i8y h TYR 19 Ca 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1i8y h TYR 19 Cb 0.06 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1i8y h TYR 19 CO 0.00 1.72 0.00 0.41 -0.00 0.00 0.00 178.16 180.29 1i8y n GLY 20 N 1.88 0.82 3.22 3.88 0.00 -0.54 -5.16 105.19 109.29 1i8y n GLY 20 Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1i8y n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i8y s VAL 21 N -1.55 1.28 -0.21 1.61 0.11 -1.26 -4.93 120.40 115.45 1i8y s VAL 21 Ca 0.00 -1.55 -0.02 0.00 -2.93 0.00 0.00 61.98 57.48 1i8y s VAL 21 Cb 0.00 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1i8y s VAL 21 CO 0.00 -0.32 -0.08 0.26 -3.33 0.00 0.00 175.10 171.63 1i8y s TRP 22 N -1.74 2.92 0.05 1.54 0.52 -1.26 -1.40 118.94 119.57 1i8y s TRP 22 Ca 0.05 -1.16 0.06 0.00 0.02 0.00 0.00 56.10 55.07 1i8y s TRP 22 Cb -0.07 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1i8y s TRP 22 CO 0.03 -0.63 -0.18 1.52 0.02 0.00 0.00 176.95 177.71 1i8y s TYR 23 N 1.42 1.56 -0.06 -1.98 -0.85 -1.24 -4.95 117.35 111.25 1i8y s TYR 23 Ca 0.05 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 1i8y s TYR 23 Cb -0.14 -0.92 -0.01 0.00 0.38 0.00 0.00 41.96 41.27 1i8y s TYR 23 CO -0.06 0.08 -0.23 0.00 -1.52 0.00 0.00 175.55 173.82 1i8y s SER 25 N -0.18 -0.27 -0.77 0.00 0.15 -1.21 -4.93 113.70 106.49 1i8y s SER 25 Ca -0.03 0.53 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 1i8y s SER 25 Cb -0.14 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1i8y s SER 25 CO 0.03 -0.14 1.30 -2.16 1.20 0.00 0.00 173.24 173.47 1i8y s PRO 26 N 0.90 3.24 0.38 5.44 0.04 -1.26 -4.12 135.00 139.61 1i8y s PRO 26 Ca -0.06 -0.34 0.06 0.00 0.04 0.00 0.00 61.00 60.70 1i8y s PRO 26 Cb -0.07 -4.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.12 1i8y s PRO 26 CO -0.06 -2.16 0.23 -0.59 0.04 0.00 0.00 177.00 174.46 1i8y s PHE 27 N 5.65 1.79 0.00 0.56 -0.12 -1.26 -5.08 117.98 119.52 1i8y s PHE 27 Ca 0.36 -1.54 0.00 0.00 -0.05 0.00 0.00 56.93 55.70 1i8y s PHE 27 Cb -0.07 -0.91 0.00 0.00 -0.63 0.00 0.00 43.02 41.40 1i8y s PHE 27 CO 0.12 -0.66 0.00 0.45 -0.05 0.00 0.00 175.22 175.09