#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgm h VAL 2 N 0.00 1.20 -6.63 6.31 2.07 -1.95 -3.47 116.25 113.78 1kgm h VAL 2 Ca 0.00 -0.40 -0.44 0.00 0.82 0.00 0.00 66.70 66.68 1kgm h VAL 2 Cb 0.00 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1kgm h VAL 2 CO 0.00 0.21 -1.08 0.41 0.02 0.00 0.00 177.57 177.13 1kgm n THR 3 N -4.42 -3.87 -3.88 2.57 -1.04 -1.26 -4.97 114.28 97.41 1kgm n THR 3 Ca 0.11 0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 62.05 1kgm n THR 3 Cb 0.05 -3.32 -0.04 0.00 -1.82 0.00 0.00 70.33 65.21 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 -3.94 3.90 0.31 0.00 2.02 -1.26 -3.92 118.70 115.80 1kgm s GLU 5 Ca 0.15 0.48 -0.29 0.00 0.02 0.00 0.00 54.97 55.33 1kgm s GLU 5 Cb -0.03 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 1kgm s GLU 5 CO 0.06 0.21 1.21 -1.25 0.02 0.00 0.00 175.26 175.50 1kgm s PRO 6 N -3.00 4.49 -0.48 0.39 0.04 -1.25 -4.04 135.00 131.16 1kgm s PRO 6 Ca 0.51 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1kgm s PRO 6 Cb -0.11 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1kgm s PRO 6 CO 0.20 0.01 0.44 0.41 0.04 0.00 0.00 177.00 178.10 1kgm n GLY 7 N 0.99 -0.75 0.00 0.56 0.00 -1.12 -4.91 105.19 99.96 1kgm n GLY 7 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.67 0.00 -0.60 2.61 -1.04 -1.26 -5.04 114.28 107.28 1kgm n THR 8 Ca -0.01 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1kgm n THR 8 Cb 0.51 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.55 0.00 -3.23 12.58 5.66 -1.26 -4.85 114.28 122.63 1kgm n THR 9 Ca 0.00 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1kgm n THR 9 Cb 0.00 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.08 0.00 -4.60 1.09 1.16 -1.23 -4.79 117.46 107.01 1kgm n PHE 10 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 1kgm n PHE 10 Cb 0.56 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.47 1.85 0.24 3.97 1.02 -1.26 -1.05 119.74 124.04 1kgm s LYS 11 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1kgm s LYS 11 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1kgm s LYS 11 CO 0.00 0.51 0.00 -3.47 -0.92 0.00 0.00 175.35 171.47 1kgm n ASP 12 N 1.36 -0.51 0.00 2.83 2.03 -1.16 -4.92 116.55 116.18 1kgm n ASP 12 Ca -0.16 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1kgm n ASP 12 Cb 0.52 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 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 -3.24 1.14 0.00 -0.67 5.02 -1.26 -4.93 118.16 114.21 1kgm n LYS 13 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1kgm n LYS 13 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 35.43 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 -1.10 -0.37 -4.97 0.00 4.13 -1.26 -4.96 115.26 106.74 1kgm n ASN 15 Ca 0.10 -1.49 -0.20 0.00 1.68 0.00 0.00 54.58 54.67 1kgm n ASN 15 Cb 0.07 0.68 -0.01 0.00 -1.54 0.00 0.00 39.78 38.98 1kgm n ASN 15 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kgm s THR 16 N -2.54 4.28 -0.37 3.41 2.01 -1.26 -2.97 115.64 118.18 1kgm s THR 16 Ca 0.07 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1kgm s THR 16 Cb -0.00 -3.48 0.12 0.00 0.01 0.00 0.00 72.50 69.14 1kgm s THR 16 CO 0.05 -0.20 0.16 0.00 -0.69 0.00 0.00 174.62 173.95 1kgm n ARG 18 N 4.16 2.15 -2.42 0.00 0.00 -1.26 -3.48 116.66 115.81 1kgm n ARG 18 Ca 0.04 0.79 -0.42 0.00 -0.00 0.00 0.00 57.85 58.25 1kgm n ARG 18 Cb 0.38 -2.61 -0.03 0.00 0.00 0.00 0.00 32.46 30.20 1kgm n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kgm s GLY 20 N 1.69 2.05 0.00 0.00 0.00 0.20 -2.78 107.32 108.49 1kgm s GLY 20 Ca 0.56 0.76 0.09 0.00 0.00 0.00 0.00 44.72 46.13 1kgm s GLY 20 CO 0.20 1.17 1.28 -1.26 0.00 0.00 0.00 173.10 174.50 1kgm n SER 21 N -3.43 0.00 -1.21 1.64 2.88 -1.26 -1.21 113.62 111.02 1kgm n SER 21 Ca 0.13 0.50 0.11 0.00 -1.33 0.00 0.00 58.87 58.28 1kgm n SER 21 Cb 0.51 -0.50 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.51 3.71 -0.90 -3.46 8.00 -1.26 -4.67 116.55 116.45 1kgm n ASP 22 Ca 0.02 -1.99 0.07 0.00 0.71 0.00 0.00 54.79 53.60 1kgm n ASP 22 Cb 0.10 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kgm n GLY 23 N 1.47 -1.03 2.17 0.44 0.00 -0.35 -4.66 105.19 103.22 1kgm n GLY 23 Ca 0.22 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.37 -2.32 -3.62 1.61 4.01 -1.25 -4.78 118.16 109.44 1kgm n LYS 24 Ca 0.00 0.20 -0.10 0.00 -0.51 0.00 0.00 58.31 57.90 1kgm n LYS 24 Cb 0.25 -4.61 -0.06 0.00 -0.51 0.00 0.00 35.03 30.10 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 -1.83 -0.43 0.13 4.39 0.01 -1.26 -4.75 113.70 109.96 1kgm s SER 25 Ca 0.00 0.74 0.01 0.00 1.31 0.00 0.00 55.95 58.00 1kgm s SER 25 Cb 0.00 0.71 -0.00 0.00 0.21 0.00 0.00 66.02 66.94 1kgm s SER 25 CO 0.00 -0.21 0.15 0.00 0.41 0.00 0.00 173.24 173.59 1kgm n ALA 26 N 1.78 0.02 -0.05 1.44 0.00 -1.26 0.60 120.51 123.05 1kgm n ALA 26 Ca -0.12 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.57 1kgm n ALA 26 Cb 0.56 0.53 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 1kgm n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm n ALA 27 N -2.14 2.22 -2.67 0.00 0.00 -0.71 -4.82 120.51 112.39 1kgm n ALA 27 Ca -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 1kgm n ALA 27 Cb 0.22 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 1.21 2.61 -2.43 0.00 5.66 -1.07 -4.91 114.28 115.35 1kgm n THR 29 Ca -0.21 -1.34 -0.28 0.00 -3.05 0.00 0.00 64.05 59.16 1kgm n THR 29 Cb 0.33 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 1kgm n THR 29 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1kgm s LEU 30 N -0.66 3.52 -0.40 1.09 2.34 -1.26 -4.83 118.68 118.47 1kgm s LEU 30 Ca 0.33 1.05 0.07 0.00 0.06 0.00 0.00 54.13 55.65 1kgm s LEU 30 Cb 0.19 -4.03 0.24 0.00 -0.56 0.00 0.00 46.19 42.03 1kgm s LEU 30 CO -0.03 -0.66 0.50 0.29 -1.06 0.00 0.00 176.35 175.39 1kgm n LYS 31 N -2.39 0.69 -0.82 1.48 5.02 -1.26 -5.09 118.16 115.79 1kgm n LYS 31 Ca 0.02 -3.25 0.01 0.00 -2.02 0.00 0.00 58.31 53.07 1kgm n LYS 31 Cb 0.55 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.25 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kgm n ALA 32 N 1.58 -1.38 -3.49 7.82 0.00 -1.26 -5.00 120.51 118.78 1kgm n ALA 32 Ca 0.22 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 1kgm n ALA 32 Cb 0.52 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 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 5.39 0.09 0.00 0.00 -0.04 -1.26 -5.03 135.00 134.15 1kgm n PRO 34 Ca -0.06 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1kgm n PRO 34 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1kgm n PRO 34 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40