#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 2.14 -0.41 2.62 1.01 -1.26 -5.06 120.40 119.44 1kgm s VAL 2 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.10 1kgm s VAL 2 Cb 0.00 -2.99 0.24 0.00 0.00 0.00 0.00 36.38 33.64 1kgm s VAL 2 CO 0.00 -0.01 1.03 1.07 0.00 0.00 0.00 175.10 177.19 1kgm n THR 3 N -1.06 0.00 -4.06 3.92 5.66 -1.26 -4.84 114.28 112.64 1kgm n THR 3 Ca -0.04 -0.89 -0.14 0.00 -3.05 0.00 0.00 64.05 59.93 1kgm n THR 3 Cb 0.66 1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 70.52 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 -3.03 3.84 -0.56 0.00 8.01 -1.26 -4.10 118.70 121.60 1kgm s GLU 5 Ca 0.29 0.39 -0.27 0.00 0.01 0.00 0.00 54.97 55.39 1kgm s GLU 5 Cb -0.01 -2.55 -0.01 0.00 -4.31 0.00 0.00 34.13 27.25 1kgm s GLU 5 CO 0.19 0.22 1.75 -1.25 0.01 0.00 0.00 175.26 176.18 1kgm s PRO 6 N -3.06 2.89 0.00 0.39 0.04 -1.24 -3.44 135.00 130.57 1kgm s PRO 6 Ca 0.50 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1kgm s PRO 6 Cb -0.11 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1kgm s PRO 6 CO 0.22 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.26 1kgm n GLY 7 N 5.56 0.90 0.00 0.56 0.00 -1.24 -4.92 105.19 106.05 1kgm n GLY 7 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.47 2.61 -1.04 -1.22 -5.05 114.28 109.11 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 -0.93 0.00 -3.30 12.58 5.66 -1.26 -4.88 114.28 122.15 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 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 -0.38 0.00 -3.62 1.09 1.16 -1.21 -4.84 117.46 109.65 1kgm n PHE 10 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 1kgm n PHE 10 Cb 0.02 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.77 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 -0.59 3.11 0.05 3.97 1.02 -1.26 -2.60 119.74 123.44 1kgm s LYS 11 Ca 0.00 -0.88 0.08 0.00 0.02 0.00 0.00 55.97 55.19 1kgm s LYS 11 Cb 0.00 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1kgm s LYS 11 CO 0.00 -0.55 -0.23 0.34 -0.92 0.00 0.00 175.35 173.98 1kgm s ASP 12 N 1.59 2.81 0.00 2.83 2.15 0.11 -4.96 116.67 121.20 1kgm s ASP 12 Ca 0.04 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1kgm s ASP 12 Cb -0.18 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 1kgm s ASP 12 CO 0.07 0.20 0.00 2.29 -0.17 0.00 0.00 175.17 177.56 1kgm n LYS 13 N 1.77 0.00 -0.57 4.34 2.85 -1.26 -0.44 118.16 124.86 1kgm n LYS 13 Ca -0.17 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.06 1kgm n LYS 13 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1kgm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kgm n ASN 15 N 1.34 0.00 -4.61 0.00 3.02 0.42 -4.74 115.26 110.69 1kgm n ASN 15 Ca 0.05 -0.42 -0.28 0.00 -0.03 0.00 0.00 54.58 53.90 1kgm n ASN 15 Cb 0.52 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.58 1kgm n ASN 15 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kgm s THR 16 N -2.35 1.91 -0.21 3.41 2.01 -1.26 0.09 115.64 119.25 1kgm s THR 16 Ca 0.00 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 1kgm s THR 16 Cb 0.00 -2.96 0.08 0.00 0.01 0.00 0.00 72.50 69.64 1kgm s THR 16 CO 0.00 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.09 1kgm s ARG 18 N 2.21 3.66 0.04 0.00 6.06 0.20 -3.31 118.95 127.81 1kgm s ARG 18 Ca 0.05 1.43 -0.35 0.00 -2.50 0.00 0.00 55.73 54.37 1kgm s ARG 18 Cb -0.16 -4.05 -0.13 0.00 0.06 0.00 0.00 34.95 30.67 1kgm s ARG 18 CO -0.16 -1.45 1.68 0.00 -2.50 0.00 0.00 175.30 172.87 1kgm s GLY 20 N 2.20 1.42 0.00 0.00 0.00 0.42 -3.60 107.32 107.76 1kgm s GLY 20 Ca 0.86 -0.72 0.23 0.00 0.00 0.00 0.00 44.72 45.08 1kgm s GLY 20 CO 0.45 0.26 1.73 -1.26 0.00 0.00 0.00 173.10 174.29 1kgm n SER 21 N -5.59 0.00 -0.74 1.64 2.88 -1.26 -2.46 113.62 108.08 1kgm n SER 21 Ca 0.11 0.11 0.12 0.00 -1.33 0.00 0.00 58.87 57.89 1kgm n SER 21 Cb 0.59 -0.35 0.19 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.35 2.41 0.00 -3.46 -0.08 -1.26 -4.68 116.55 108.13 1kgm n ASP 22 Ca 0.09 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.62 1kgm n ASP 22 Cb 0.20 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kgm n GLY 23 N 1.32 2.82 0.00 0.27 0.00 -1.03 -4.85 105.19 103.72 1kgm n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 0.00 -0.94 1.61 5.02 -1.26 -0.58 118.16 120.01 1kgm n LYS 24 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1kgm n LYS 24 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1kgm n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1kgm n SER 25 N 0.00 0.62 -4.39 4.39 7.64 -1.26 -4.06 113.62 116.57 1kgm n SER 25 Ca 0.00 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 60.18 1kgm n SER 25 Cb 0.00 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.52 1kgm n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kgm s ALA 26 N 2.60 2.38 -0.49 -0.43 0.00 -1.26 0.16 121.76 124.71 1kgm s ALA 26 Ca 0.68 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 1kgm s ALA 26 Cb -0.92 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1kgm s ALA 26 CO 0.46 0.55 0.88 0.00 0.00 0.00 0.00 175.76 177.65 1kgm s ALA 27 N -0.90 3.23 -0.36 0.00 0.00 0.47 -4.76 121.76 119.44 1kgm s ALA 27 Ca 0.13 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1kgm s ALA 27 Cb -0.10 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1kgm s ALA 27 CO 0.04 -2.13 0.30 0.00 0.00 0.00 0.00 175.76 173.98 1kgm s THR 29 N 1.83 3.38 -0.26 0.00 -1.32 -1.03 -4.94 115.64 113.31 1kgm s THR 29 Ca 0.08 0.28 -0.21 0.00 -1.21 0.00 0.00 61.69 60.63 1kgm s THR 29 Cb -0.17 -3.84 -0.02 0.00 -1.51 0.00 0.00 72.50 66.96 1kgm s THR 29 CO 0.11 -0.75 0.65 -0.76 -2.21 0.00 0.00 174.62 171.66 1kgm s LEU 30 N 8.63 4.07 0.00 9.08 1.02 -1.26 -4.57 118.68 135.64 1kgm s LEU 30 Ca 0.71 0.70 0.00 0.00 0.02 0.00 0.00 54.13 55.56 1kgm s LEU 30 Cb -0.15 -2.89 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1kgm s LEU 30 CO 0.24 -0.40 0.00 1.17 0.02 0.00 0.00 176.35 177.38 1kgm n LYS 31 N 5.77 0.00 0.00 1.70 3.00 -1.26 -5.15 118.16 122.22 1kgm n LYS 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1kgm n LYS 31 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 35.03 35.24 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 -2.22 0.00 -2.55 3.14 0.00 -1.26 -5.17 120.51 112.45 1kgm n ALA 32 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1kgm n ALA 32 Cb 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.40 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 1.69 0.00 0.00 0.00 -0.04 -1.26 -5.10 135.00 130.29 1kgm n PRO 34 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1kgm n PRO 34 Cb 0.54 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1kgm n PRO 34 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50