#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 0.02 -0.33 2.62 0.11 -1.26 -5.01 120.40 116.55 1kgm s VAL 2 Ca 0.00 -0.20 0.15 0.00 -2.93 0.00 0.00 61.98 59.00 1kgm s VAL 2 Cb 0.00 -1.04 0.44 0.00 -1.53 0.00 0.00 36.38 34.25 1kgm s VAL 2 CO 0.00 -0.11 1.30 0.41 -3.33 0.00 0.00 175.10 173.36 1kgm n THR 3 N -0.13 0.48 -2.61 5.04 -1.04 -1.26 -3.87 114.28 110.90 1kgm n THR 3 Ca -0.17 -1.94 -0.17 0.00 -2.04 0.00 0.00 64.05 59.72 1kgm n THR 3 Cb 0.63 1.02 0.09 0.00 -1.82 0.00 0.00 70.33 70.25 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 -4.42 4.48 -0.34 0.00 2.02 -1.26 -3.97 118.70 115.21 1kgm s GLU 5 Ca 0.51 1.42 -0.29 0.00 0.02 0.00 0.00 54.97 56.62 1kgm s GLU 5 Cb -0.03 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1kgm s GLU 5 CO 0.33 0.17 1.48 -1.25 0.02 0.00 0.00 175.26 176.01 1kgm s PRO 6 N -2.11 3.64 0.00 0.39 0.04 -1.25 -3.35 135.00 132.35 1kgm s PRO 6 Ca 0.52 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1kgm s PRO 6 Cb -0.21 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1kgm s PRO 6 CO 0.26 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1kgm n GLY 7 N 4.91 1.37 0.00 0.56 0.00 -1.13 -4.88 105.19 106.02 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 -0.21 0.00 -0.45 2.61 -1.04 -1.21 -5.04 114.28 108.93 1kgm n THR 8 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1kgm n THR 8 Cb 0.00 -0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 68.26 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 -1.17 0.00 -3.33 12.58 5.66 -1.26 -4.86 114.28 121.89 1kgm n THR 9 Ca 0.00 0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1kgm n THR 9 Cb 0.14 -0.15 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 -1.69 0.00 -4.82 1.09 1.16 -0.91 -4.81 117.46 107.48 1kgm n PHE 10 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 1kgm n PHE 10 Cb 0.55 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.26 1kgm n PHE 10 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1kgm s LYS 11 N -0.67 3.27 -0.03 3.97 2.20 -1.26 -1.27 119.74 125.95 1kgm s LYS 11 Ca 0.00 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1kgm s LYS 11 Cb 0.00 -2.56 0.03 0.00 -1.51 0.00 0.00 37.83 33.80 1kgm s LYS 11 CO 0.00 0.16 0.06 0.34 -0.36 0.00 0.00 175.35 175.55 1kgm s ASP 12 N 0.45 0.02 0.67 1.43 2.15 0.86 -4.90 116.67 117.35 1kgm s ASP 12 Ca -0.12 0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1kgm s ASP 12 Cb -0.16 0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.46 1kgm s ASP 12 CO 0.05 -0.13 0.00 0.29 -0.17 0.00 0.00 175.17 175.21 1kgm n LYS 13 N 4.17 0.00 -0.70 4.34 5.02 -1.26 -2.23 118.16 127.50 1kgm n LYS 13 Ca -0.27 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 55.97 1kgm n LYS 13 Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.72 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 -0.02 -1.49 -4.89 0.00 5.03 -0.95 -4.80 115.26 108.15 1kgm n ASN 15 Ca 0.28 -2.46 -0.20 0.00 0.87 0.00 0.00 54.58 53.06 1kgm n ASN 15 Cb 1.06 2.60 -0.03 0.00 -1.02 0.00 0.00 39.78 42.40 1kgm n ASN 15 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1kgm s THR 16 N -2.53 2.92 -0.17 3.41 2.01 -1.26 -0.10 115.64 119.91 1kgm s THR 16 Ca 0.19 -1.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.85 1kgm s THR 16 Cb -0.02 -3.05 0.07 0.00 0.01 0.00 0.00 72.50 69.51 1kgm s THR 16 CO 0.14 -0.04 0.16 0.00 -0.69 0.00 0.00 174.62 174.19 1kgm s ARG 18 N 2.25 3.84 -0.15 0.00 6.06 -0.36 -2.13 118.95 128.46 1kgm s ARG 18 Ca 0.05 0.74 -0.33 0.00 -2.50 0.00 0.00 55.73 53.69 1kgm s ARG 18 Cb -0.15 -3.85 -0.10 0.00 0.06 0.00 0.00 34.95 30.90 1kgm s ARG 18 CO -0.10 -1.23 2.00 0.00 -2.50 0.00 0.00 175.30 173.47 1kgm n GLY 20 N 5.01 -2.34 0.04 0.00 0.00 0.65 -2.85 105.19 105.71 1kgm n GLY 20 Ca 0.27 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.50 0.61 -0.42 1.61 2.88 -1.26 -3.55 113.62 112.99 1kgm n SER 21 Ca 0.04 0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1kgm n SER 21 Cb 0.35 0.17 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 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 -1.90 1.75 -0.11 -3.46 8.00 -1.26 -4.75 116.55 114.81 1kgm n ASP 22 Ca 0.04 -1.34 0.01 0.00 0.71 0.00 0.00 54.79 54.21 1kgm n ASP 22 Cb 0.40 0.40 -0.00 0.00 -0.02 0.00 0.00 41.12 41.90 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 1.40 -1.67 1.97 0.44 0.00 -1.24 -4.84 105.19 101.25 1kgm n GLY 23 Ca 0.10 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.97 -1.28 -3.65 1.61 4.01 -1.25 -4.86 118.16 110.77 1kgm n LYS 24 Ca -0.00 0.74 -0.13 0.00 -0.51 0.00 0.00 58.31 58.41 1kgm n LYS 24 Cb 0.05 -4.97 -0.08 0.00 -0.51 0.00 0.00 35.03 29.52 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 -2.06 -0.69 -0.07 4.39 0.01 -1.25 -4.59 113.70 109.44 1kgm s SER 25 Ca 0.00 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.45 1kgm s SER 25 Cb 0.00 1.31 0.02 0.00 0.21 0.00 0.00 66.02 67.56 1kgm s SER 25 CO 0.00 -0.22 0.29 0.00 0.41 0.00 0.00 173.24 173.71 1kgm s ALA 26 N 0.47 -0.71 -0.44 1.44 0.00 -1.26 0.24 121.76 121.50 1kgm s ALA 26 Ca -0.01 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 1kgm s ALA 26 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1kgm s ALA 26 CO -0.01 -0.18 0.65 0.00 0.00 0.00 0.00 175.76 176.22 1kgm s ALA 27 N -0.45 3.34 -0.01 0.00 0.00 -0.14 -4.79 121.76 119.71 1kgm s ALA 27 Ca -0.06 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 1kgm s ALA 27 Cb -0.04 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1kgm s ALA 27 CO 0.02 -1.79 0.43 0.00 0.00 0.00 0.00 175.76 174.41 1kgm n THR 29 N 2.07 3.38 -1.51 0.00 -2.24 -0.05 -4.88 114.28 111.05 1kgm n THR 29 Ca -0.13 -1.91 -0.27 0.00 -2.27 0.00 0.00 64.05 59.47 1kgm n THR 29 Cb 0.52 -2.28 -0.18 0.00 -2.10 0.00 0.00 70.33 66.29 1kgm n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kgm n LEU 30 N 3.29 -0.37 -3.27 3.22 4.77 -1.26 -4.74 117.00 118.64 1kgm n LEU 30 Ca 0.58 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 1kgm n LEU 30 Cb 0.44 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1kgm n LEU 30 CO 0.56 -1.39 -0.16 0.29 -1.33 0.00 0.00 177.39 175.35 1kgm n LYS 31 N 6.94 1.36 -1.17 3.23 4.01 -1.26 -5.09 118.16 126.19 1kgm n LYS 31 Ca 0.63 -3.74 0.05 0.00 -0.51 0.00 0.00 58.31 54.74 1kgm n LYS 31 Cb 0.17 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 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 1.19 -2.09 -3.15 7.82 0.00 -1.26 -5.00 120.51 118.03 1kgm n ALA 32 Ca 0.24 0.50 0.04 0.00 0.00 0.00 0.00 53.44 54.22 1kgm n ALA 32 Cb 0.49 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 7.61 0.00 -0.02 0.00 0.13 -1.97 -3.49 132.00 134.25 1kgm h PRO 34 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.10 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 178.81