#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 2.32 -0.58 6.31 0.11 -1.26 -4.96 120.40 122.33 1kgm s VAL 2 Ca 0.00 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1kgm s VAL 2 Cb 0.00 -3.18 0.19 0.00 -1.53 0.00 0.00 36.38 31.86 1kgm s VAL 2 CO 0.00 0.05 0.48 0.41 -3.33 0.00 0.00 175.10 172.71 1kgm n THR 3 N 1.93 0.69 -4.64 5.04 -1.04 -1.26 -2.89 114.28 112.11 1kgm n THR 3 Ca 0.06 -4.41 -0.29 0.00 -2.04 0.00 0.00 64.05 57.37 1kgm n THR 3 Cb 0.39 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.82 1kgm n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kgm s GLU 5 N -3.80 4.19 -0.10 0.00 8.01 -1.26 -3.66 118.70 122.08 1kgm s GLU 5 Ca 0.17 0.83 -0.30 0.00 0.01 0.00 0.00 54.97 55.68 1kgm s GLU 5 Cb 0.03 -2.75 -0.04 0.00 -4.31 0.00 0.00 34.13 27.06 1kgm s GLU 5 CO 0.09 0.33 1.43 -1.25 0.01 0.00 0.00 175.26 175.87 1kgm s PRO 6 N -2.25 4.22 0.00 0.39 0.04 -1.26 -3.81 135.00 132.33 1kgm s PRO 6 Ca 0.46 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1kgm s PRO 6 Cb -0.15 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1kgm s PRO 6 CO 0.20 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1kgm n GLY 7 N 3.81 0.69 0.00 0.56 0.00 -1.25 -4.99 105.19 103.99 1kgm n GLY 7 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.15 0.00 -0.25 2.61 -1.04 -1.25 -5.09 114.28 109.11 1kgm n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kgm n THR 8 Cb 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -0.86 0.00 -3.18 12.58 5.66 -1.26 -4.90 114.28 122.32 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 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.09 0.00 -4.00 1.09 1.16 -1.26 -4.84 117.46 109.52 1kgm n PHE 10 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.24 1kgm n PHE 10 Cb 0.00 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 37.72 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 -0.36 3.07 0.31 3.97 1.02 -1.26 -3.02 119.74 123.47 1kgm s LYS 11 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1kgm s LYS 11 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1kgm s LYS 11 CO 0.00 -0.26 0.12 0.34 -0.92 0.00 0.00 175.35 174.62 1kgm s ASP 12 N 1.36 1.71 0.00 2.83 2.15 -1.25 -4.93 116.67 118.54 1kgm s ASP 12 Ca 0.04 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.53 1kgm s ASP 12 Cb -0.15 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 1kgm s ASP 12 CO -0.07 -0.80 0.00 2.29 -0.17 0.00 0.00 175.17 176.42 1kgm n LYS 13 N -0.60 0.00 -1.39 4.34 2.85 -1.26 -1.21 118.16 120.89 1kgm n LYS 13 Ca -0.01 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.10 1kgm n LYS 13 Cb 0.66 0.00 0.10 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 n ASN 15 N -0.91 0.00 -3.85 0.00 3.02 -0.35 -4.87 115.26 108.29 1kgm n ASN 15 Ca 0.39 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.99 1kgm n ASN 15 Cb 0.90 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.27 0.00 -0.40 3.41 2.01 -1.24 -3.88 115.64 115.81 1kgm s THR 16 Ca 0.00 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1kgm s THR 16 Cb 0.00 -2.65 0.16 0.00 0.01 0.00 0.00 72.50 70.02 1kgm s THR 16 CO 0.00 0.00 0.43 0.00 -0.69 0.00 0.00 174.62 174.36 1kgm n ARG 18 N 3.89 1.86 -1.66 0.00 3.00 -1.26 -4.01 116.66 118.48 1kgm n ARG 18 Ca 0.15 0.57 -0.45 0.00 -0.00 0.00 0.00 57.85 58.11 1kgm n ARG 18 Cb 0.48 -2.91 -0.03 0.00 0.00 0.00 0.00 32.46 30.00 1kgm n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kgm n GLY 20 N 2.28 -2.86 0.08 0.00 0.00 0.71 -4.16 105.19 101.24 1kgm n GLY 20 Ca 0.13 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.27 1kgm n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kgm n SER 21 N -1.12 0.54 -0.58 1.61 7.64 -1.26 -3.97 113.62 116.48 1kgm n SER 21 Ca 0.00 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.15 1kgm n SER 21 Cb 0.00 0.91 0.14 0.00 -1.01 0.00 0.00 64.21 64.25 1kgm n SER 21 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1kgm n ASP 22 N -2.59 2.88 -0.24 6.43 5.75 -1.26 -4.61 116.55 122.92 1kgm n ASP 22 Ca -0.05 -2.08 0.03 0.00 -0.01 0.00 0.00 54.79 52.69 1kgm n ASP 22 Cb 0.64 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kgm n GLY 23 N 0.31 -1.43 2.39 6.12 0.00 -1.26 -4.88 105.19 106.44 1kgm n GLY 23 Ca 0.11 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.63 -1.76 -3.56 1.61 4.01 -1.23 -4.75 118.16 110.85 1kgm n LYS 24 Ca 0.00 0.89 -0.14 0.00 -0.51 0.00 0.00 58.31 58.55 1kgm n LYS 24 Cb 0.11 -5.43 -0.06 0.00 -0.51 0.00 0.00 35.03 29.14 1kgm n LYS 24 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1kgm s SER 25 N -2.16 -0.54 -0.09 4.39 0.01 -1.14 -4.65 113.70 109.51 1kgm s SER 25 Ca 0.00 0.70 -0.06 0.00 1.31 0.00 0.00 55.95 57.89 1kgm s SER 25 Cb 0.00 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.85 1kgm s SER 25 CO 0.00 -0.43 0.22 0.00 0.41 0.00 0.00 173.24 173.45 1kgm s ALA 26 N -0.85 -0.52 0.04 1.44 0.00 -1.26 0.26 121.76 120.86 1kgm s ALA 26 Ca -0.05 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 1kgm s ALA 26 Cb -0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 23.12 22.49 1kgm s ALA 26 CO 0.04 -0.15 1.37 0.00 0.00 0.00 0.00 175.76 177.02 1kgm h ALA 27 N 6.51 -1.23 -4.36 0.00 0.00 -0.62 -3.45 119.26 116.11 1kgm h ALA 27 Ca -0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1kgm h ALA 27 Cb 1.17 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1kgm h ALA 27 CO 0.38 -1.17 -1.06 0.00 0.00 0.00 0.00 179.25 177.40 1kgm n THR 29 N 1.37 0.00 -0.32 0.00 5.66 -1.25 -4.98 114.28 114.77 1kgm n THR 29 Ca -0.20 0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1kgm n THR 29 Cb 0.31 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1kgm n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kgm n LEU 30 N -1.10 -0.12 -3.17 1.09 -0.00 -1.26 -4.66 117.00 107.78 1kgm n LEU 30 Ca 0.00 0.14 -0.36 0.00 -0.00 0.00 0.00 56.01 55.80 1kgm n LEU 30 Cb 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.17 1kgm n LEU 30 CO 0.00 -0.25 2.53 0.29 -0.00 0.00 0.00 177.39 179.96 1kgm n LYS 31 N 1.51 3.83 0.00 1.47 4.76 -1.26 -4.83 118.16 123.64 1kgm n LYS 31 Ca 0.00 -2.73 0.00 0.00 -2.87 0.00 0.00 58.31 52.71 1kgm n LYS 31 Cb 0.00 -2.56 0.00 0.00 -1.84 0.00 0.00 35.03 30.63 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kgm n ALA 32 N 2.24 -0.88 -3.88 7.82 0.00 -1.26 -4.92 120.51 119.62 1kgm n ALA 32 Ca 0.64 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.74 1kgm n ALA 32 Cb 0.34 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 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 7.85 0.54 0.00 0.00 0.13 -1.99 -3.49 132.00 135.04 1kgm h PRO 34 Ca -0.10 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1kgm h PRO 34 Cb 1.04 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1kgm h PRO 34 CO 0.61 1.17 0.00 0.94 -0.23 0.00 0.00 178.00 180.49