#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgm s VAL 2 N 0.00 4.55 -0.49 2.62 1.01 -1.19 -5.06 120.40 121.84 1kgm s VAL 2 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1kgm s VAL 2 Cb 0.00 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 33.09 1kgm s VAL 2 CO 0.00 -0.34 0.39 1.07 0.00 0.00 0.00 175.10 176.22 1kgm n THR 3 N -1.19 -0.41 -3.81 3.92 5.66 -1.26 -4.69 114.28 112.50 1kgm n THR 3 Ca -0.08 -3.84 -0.05 0.00 -3.05 0.00 0.00 64.05 57.02 1kgm n THR 3 Cb 0.58 -1.81 -0.02 0.00 -1.55 0.00 0.00 70.33 67.53 1kgm n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kgm s GLU 5 N -3.63 3.53 -0.26 0.00 2.12 -1.26 -4.26 118.70 114.94 1kgm s GLU 5 Ca 0.12 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 1kgm s GLU 5 Cb -0.04 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 1kgm s GLU 5 CO 0.05 0.31 1.54 -1.25 -0.54 0.00 0.00 175.26 175.37 1kgm s PRO 6 N -3.60 3.77 0.00 4.30 0.04 -1.25 -3.53 135.00 134.72 1kgm s PRO 6 Ca 0.40 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1kgm s PRO 6 Cb -0.11 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1kgm s PRO 6 CO 0.31 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1kgm n GLY 7 N 4.68 0.69 0.00 0.56 0.00 -1.25 -5.00 105.19 104.88 1kgm n GLY 7 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1kgm n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kgm n THR 8 N 0.00 0.00 -0.54 2.61 -1.04 -1.23 -5.07 114.28 109.01 1kgm n THR 8 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1kgm n THR 8 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1kgm n THR 8 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1kgm n THR 9 N -0.83 0.00 -2.13 12.58 5.66 -1.26 -4.88 114.28 123.42 1kgm n THR 9 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kgm n THR 9 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1kgm n THR 9 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1kgm n PHE 10 N -0.46 0.00 -3.47 1.09 1.16 -1.07 -4.81 117.46 109.90 1kgm n PHE 10 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1kgm n PHE 10 Cb 0.02 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.82 1kgm n PHE 10 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1kgm s LYS 11 N -0.89 4.17 0.04 3.97 1.02 -1.26 -2.22 119.74 124.55 1kgm s LYS 11 Ca 0.00 0.08 0.06 0.00 0.02 0.00 0.00 55.97 56.13 1kgm s LYS 11 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1kgm s LYS 11 CO 0.00 0.03 -0.17 0.34 -0.92 0.00 0.00 175.35 174.63 1kgm s ASP 12 N 0.96 2.00 0.00 2.83 2.15 0.22 -4.89 116.67 119.93 1kgm s ASP 12 Ca 0.16 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1kgm s ASP 12 Cb -0.14 -0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 1kgm s ASP 12 CO 0.07 0.09 0.00 2.29 -0.17 0.00 0.00 175.17 177.45 1kgm n LYS 13 N 1.93 0.00 -0.35 4.34 2.85 -1.26 0.12 118.16 125.79 1kgm n LYS 13 Ca -0.17 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.17 1kgm n LYS 13 Cb 0.54 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 35.14 1kgm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kgm s ASN 15 N -2.31 0.46 -0.14 0.00 0.01 0.32 -4.82 114.94 108.47 1kgm s ASN 15 Ca 0.39 -1.29 -0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1kgm s ASN 15 Cb 0.33 0.73 -0.04 0.00 0.41 0.00 0.00 41.25 42.68 1kgm s ASN 15 CO 0.06 -1.44 0.04 -0.89 -1.51 0.00 0.00 177.10 173.36 1kgm s THR 16 N -2.87 4.64 -0.32 1.60 2.01 -1.26 0.72 115.64 120.15 1kgm s THR 16 Ca 0.24 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 1kgm s THR 16 Cb -0.02 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1kgm s THR 16 CO 0.16 0.52 0.11 0.00 -0.69 0.00 0.00 174.62 174.72 1kgm s ARG 18 N 1.46 3.80 -0.01 0.00 6.06 -1.26 -2.60 118.95 126.40 1kgm s ARG 18 Ca 0.01 0.85 -0.36 0.00 -2.50 0.00 0.00 55.73 53.73 1kgm s ARG 18 Cb -0.18 -3.89 -0.14 0.00 0.06 0.00 0.00 34.95 30.80 1kgm s ARG 18 CO 0.03 -1.27 1.66 0.00 -2.50 0.00 0.00 175.30 173.22 1kgm n GLY 20 N 3.69 -3.16 0.42 0.00 0.00 0.73 -3.77 105.19 103.10 1kgm n GLY 20 Ca 0.21 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1kgm n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kgm n SER 21 N 0.00 1.80 -0.65 1.61 2.88 -1.26 -3.94 113.62 114.06 1kgm n SER 21 Ca 0.00 -1.40 0.13 0.00 -1.33 0.00 0.00 58.87 56.27 1kgm n SER 21 Cb 0.00 0.50 0.36 0.00 -0.75 0.00 0.00 64.21 64.31 1kgm n SER 21 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kgm n ASP 22 N -0.12 2.05 -0.10 -3.46 2.03 -1.26 -4.81 116.55 110.87 1kgm n ASP 22 Ca 0.08 -1.67 -0.01 0.00 0.52 0.00 0.00 54.79 53.71 1kgm n ASP 22 Cb 0.40 0.01 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kgm n GLY 23 N 1.25 0.37 0.10 0.27 0.00 -1.26 -4.73 105.19 101.18 1kgm n GLY 23 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1kgm n GLY 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kgm n LYS 24 N -1.19 0.00 -4.29 1.61 4.81 -1.26 -3.98 118.16 113.86 1kgm n LYS 24 Ca -0.01 -0.44 -0.18 0.00 -0.87 0.00 0.00 58.31 56.80 1kgm n LYS 24 Cb 0.27 -0.37 -0.11 0.00 0.02 0.00 0.00 35.03 34.84 1kgm n LYS 24 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1kgm s SER 25 N -0.14 2.30 -0.00 3.14 0.01 -1.26 -3.15 113.70 114.59 1kgm s SER 25 Ca 0.00 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.24 1kgm s SER 25 Cb 0.00 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1kgm s SER 25 CO 0.00 -0.15 0.22 0.00 0.41 0.00 0.00 173.24 173.72 1kgm s ALA 26 N -2.50 -0.54 -0.18 1.44 0.00 -1.26 0.26 121.76 118.97 1kgm s ALA 26 Ca 0.15 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1kgm s ALA 26 Cb -0.03 0.10 -0.22 0.00 0.00 0.00 0.00 23.12 22.98 1kgm s ALA 26 CO 0.05 -0.24 0.35 0.00 0.00 0.00 0.00 175.76 175.92 1kgm h ALA 27 N 4.05 0.22 -4.59 0.00 0.00 -1.77 -3.47 119.26 113.71 1kgm h ALA 27 Ca -0.30 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.51 1kgm h ALA 27 Cb 1.19 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1kgm h ALA 27 CO 0.40 0.64 -1.08 0.00 0.00 0.00 0.00 179.25 179.22 1kgm h THR 29 N 3.87 0.12 -5.26 0.00 1.35 -1.56 -3.46 112.91 107.97 1kgm h THR 29 Ca -0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1kgm h THR 29 Cb 0.36 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.79 1kgm h THR 29 CO 0.00 0.02 -1.01 0.18 -0.25 0.00 0.00 175.52 174.46 1kgm n LEU 30 N -5.30 -7.57 0.00 3.87 4.77 -1.26 -5.00 117.00 106.51 1kgm n LEU 30 Ca 0.28 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.63 1kgm n LEU 30 Cb 0.93 -3.18 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1kgm n LEU 30 CO 0.01 -3.08 -0.29 0.29 -1.33 0.00 0.00 177.39 172.98 1kgm n LYS 31 N 0.80 1.42 0.00 3.23 4.01 -1.26 -5.12 118.16 121.23 1kgm n LYS 31 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1kgm n LYS 31 Cb 0.07 -0.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1kgm n ALA 32 N -1.65 0.00 -3.02 7.82 0.00 -1.26 -5.15 120.51 117.26 1kgm n ALA 32 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1kgm n ALA 32 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1kgm n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm h PRO 34 N 6.51 0.00 0.00 0.00 0.13 -2.01 -3.49 132.00 133.14 1kgm h PRO 34 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1kgm h PRO 34 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kgm h PRO 34 CO -0.14 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 177.87