#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgm n VAL 2 N 0.00 0.00 -4.25 6.31 0.31 -1.26 -4.87 118.33 114.57 1kgm n VAL 2 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1kgm n VAL 2 Cb 0.00 -0.45 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1kgm n VAL 2 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1kgm n THR 3 N -0.75 -0.03 -2.99 2.52 -2.24 -1.25 -4.88 114.28 104.65 1kgm n THR 3 Ca 0.00 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 1kgm n THR 3 Cb 0.00 -0.47 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1kgm n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kgm s GLU 5 N -4.64 4.35 0.24 0.00 2.12 -1.26 -4.10 118.70 115.41 1kgm s GLU 5 Ca 0.61 0.84 -0.30 0.00 0.36 0.00 0.00 54.97 56.48 1kgm s GLU 5 Cb -0.07 -3.32 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 1kgm s GLU 5 CO 0.38 0.42 1.40 -1.25 -0.54 0.00 0.00 175.26 175.67 1kgm s PRO 6 N -0.43 4.31 -0.14 4.30 0.04 -1.25 -3.63 135.00 138.20 1kgm s PRO 6 Ca 0.33 2.23 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 1kgm s PRO 6 Cb -0.19 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1kgm s PRO 6 CO 0.20 -0.36 0.12 0.41 0.04 0.00 0.00 177.00 177.40 1kgm n GLY 7 N 2.16 0.54 0.00 0.56 0.00 -1.11 -4.94 105.19 102.40 1kgm n GLY 7 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.59 0.00 -0.64 2.61 -1.04 -1.24 -5.06 114.28 107.33 1kgm n THR 8 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1kgm n THR 8 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.72 0.00 0.00 12.58 5.66 -1.26 -4.87 114.28 125.67 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 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.63 0.00 -3.46 1.09 1.16 -0.92 -4.82 117.46 109.88 1kgm n PHE 10 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1kgm n PHE 10 Cb 0.04 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.85 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 -2.00 4.08 0.00 3.97 1.02 -1.26 -0.47 119.74 125.07 1kgm s LYS 11 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1kgm s LYS 11 Cb 0.00 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1kgm s LYS 11 CO 0.00 0.49 0.00 -3.47 -0.92 0.00 0.00 175.35 171.45 1kgm n ASP 12 N 2.56 0.21 0.00 2.83 2.03 -1.26 -4.89 116.55 118.03 1kgm n ASP 12 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1kgm n ASP 12 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1kgm n ASP 12 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1kgm n LYS 13 N -2.49 0.00 -0.99 -0.67 5.02 -1.26 -4.96 118.16 112.81 1kgm n LYS 13 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1kgm n LYS 13 Cb 0.14 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.40 1kgm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kgm n ASN 15 N -0.37 0.00 0.00 0.00 4.13 -1.26 -4.79 115.26 112.97 1kgm n ASN 15 Ca 0.42 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1kgm n ASN 15 Cb 1.38 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.62 1kgm n ASN 15 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1kgm n THR 16 N -0.15 0.00 -3.77 3.41 -1.04 -1.26 -4.45 114.28 107.03 1kgm n THR 16 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1kgm n THR 16 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 1kgm n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kgm s ARG 18 N 1.73 4.36 -0.32 0.00 6.06 -1.26 -2.16 118.95 127.35 1kgm s ARG 18 Ca -0.00 1.45 -0.29 0.00 -2.50 0.00 0.00 55.73 54.39 1kgm s ARG 18 Cb -0.13 -3.59 -0.00 0.00 0.06 0.00 0.00 34.95 31.30 1kgm s ARG 18 CO -0.03 -0.45 1.38 0.00 -2.50 0.00 0.00 175.30 173.71 1kgm n GLY 20 N 4.57 -2.63 0.00 0.00 0.00 0.71 -2.75 105.19 105.10 1kgm n GLY 20 Ca 0.16 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.53 0.04 -1.07 1.61 2.88 -1.26 -3.07 113.62 110.21 1kgm n SER 21 Ca 0.05 0.24 0.11 0.00 -1.33 0.00 0.00 58.87 57.93 1kgm n SER 21 Cb 0.20 -0.39 0.20 0.00 -0.75 0.00 0.00 64.21 63.47 1kgm n SER 21 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1kgm n ASP 22 N -1.42 3.34 0.00 -3.46 9.92 -1.26 -4.75 116.55 118.92 1kgm n ASP 22 Ca 0.09 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 1kgm n ASP 22 Cb 0.31 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kgm n GLY 23 N 1.37 0.97 2.13 0.44 0.00 -1.17 -4.59 105.19 104.33 1kgm n GLY 23 Ca 0.18 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1kgm n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kgm n LYS 24 N 0.00 2.71 -3.15 1.61 5.02 -1.26 -2.53 118.16 120.56 1kgm n LYS 24 Ca 0.00 -1.50 0.05 0.00 -2.02 0.00 0.00 58.31 54.84 1kgm n LYS 24 Cb 0.00 -2.33 -0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1kgm n LYS 24 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kgm s SER 25 N 2.07 -1.18 0.35 4.39 0.01 -1.26 -4.85 113.70 113.22 1kgm s SER 25 Ca 0.68 0.25 0.08 0.00 1.31 0.00 0.00 55.95 58.28 1kgm s SER 25 Cb 0.26 1.80 -0.04 0.00 0.21 0.00 0.00 66.02 68.25 1kgm s SER 25 CO -0.02 -0.22 0.19 0.00 0.41 0.00 0.00 173.24 173.60 1kgm s ALA 26 N 2.88 3.62 -0.13 1.44 0.00 -1.26 0.26 121.76 128.56 1kgm s ALA 26 Ca 0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1kgm s ALA 26 Cb -0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.14 1kgm s ALA 26 CO -0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 175.76 175.39 1kgm n ALA 27 N -1.23 1.90 -2.41 0.00 0.00 -1.03 -4.90 120.51 112.84 1kgm n ALA 27 Ca -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1kgm n ALA 27 Cb 0.61 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 1kgm n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm n THR 29 N 1.68 3.08 -1.93 0.00 5.66 -1.08 -4.95 114.28 116.75 1kgm n THR 29 Ca -0.20 -2.70 -0.40 0.00 -3.05 0.00 0.00 64.05 57.70 1kgm n THR 29 Cb 0.32 -2.54 0.00 0.00 -1.55 0.00 0.00 70.33 66.56 1kgm n THR 29 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1kgm s LEU 30 N 2.01 4.20 0.00 1.09 1.02 -1.26 -4.79 118.68 120.95 1kgm s LEU 30 Ca 0.49 2.81 0.00 0.00 0.02 0.00 0.00 54.13 57.45 1kgm s LEU 30 Cb 0.14 -3.87 0.00 0.00 0.02 0.00 0.00 46.19 42.48 1kgm s LEU 30 CO -0.04 -0.96 0.00 1.17 0.02 0.00 0.00 176.35 176.54 1kgm n LYS 31 N 0.08 0.00 0.13 1.70 3.00 -1.26 -5.05 118.16 116.76 1kgm n LYS 31 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1kgm n LYS 31 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 35.03 35.15 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kgm n ALA 32 N -1.68 2.48 -2.87 3.14 0.00 -1.26 -5.12 120.51 115.20 1kgm n ALA 32 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1kgm n ALA 32 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1kgm n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm n PRO 34 N 1.99 0.44 0.00 0.00 -0.04 -1.26 -5.05 135.00 131.08 1kgm n PRO 34 Ca -0.18 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1kgm n PRO 34 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1kgm n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46