#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz s ALA 2 N 0.00 -0.46 -1.07 2.12 0.00 -1.26 -5.09 121.76 116.00 2roz s ALA 2 Ca 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 2roz s ALA 2 Cb 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 23.12 22.91 2roz s ALA 2 CO 0.00 -0.09 1.41 0.00 0.00 0.00 0.00 175.76 177.08 2roz s ALA 3 N 0.08 3.19 0.47 0.00 0.00 -1.26 -4.98 121.76 119.26 2roz s ALA 3 Ca -0.00 -2.68 0.02 0.00 0.00 0.00 0.00 51.96 49.30 2roz s ALA 3 Cb -0.01 -4.36 0.01 0.00 0.00 0.00 0.00 23.12 18.75 2roz s ALA 3 CO 0.00 -3.26 0.68 0.54 0.00 0.00 0.00 175.76 173.72 2roz s VAL 4 N 3.72 3.49 0.53 0.00 0.11 -1.26 -5.05 120.40 121.95 2roz s VAL 4 Ca 0.43 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 2roz s VAL 4 Cb -0.01 -3.28 -0.06 0.00 -1.53 0.00 0.00 36.38 31.50 2roz s VAL 4 CO -0.05 -0.18 1.21 0.41 -3.33 0.00 0.00 175.10 173.15 2roz n THR 5 N -2.10 3.49 -0.04 5.04 -1.04 -1.26 -4.94 114.28 113.43 2roz n THR 5 Ca 0.04 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.41 2roz n THR 5 Cb 0.58 -1.46 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 2roz n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2roz h PRO 6 N 1.28 -0.01 -0.94 -2.82 0.13 -1.99 -2.73 132.00 124.92 2roz h PRO 6 Ca -0.49 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 2roz h PRO 6 Cb 1.32 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 2roz h PRO 6 CO 0.56 0.73 0.55 1.49 -0.23 0.00 0.00 178.00 181.10 2roz h GLU 7 N -0.75 0.80 0.33 0.86 4.81 -1.99 -0.25 114.58 118.38 2roz h GLU 7 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2roz h GLU 7 Cb 0.74 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2roz h GLU 7 CO 0.00 0.53 -0.16 1.49 -0.73 0.00 0.00 179.01 180.14 2roz h GLU 8 N 0.82 -0.43 -0.46 1.92 4.22 -1.95 -2.71 114.58 115.99 2roz h GLU 8 Ca 0.49 0.03 0.09 0.00 0.08 0.00 0.00 59.36 60.05 2roz h GLU 8 Cb 0.60 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 2roz h GLU 8 CO -0.31 -0.23 -0.07 0.00 -2.18 0.00 0.00 179.01 176.22 2roz h ARG 9 N -0.54 0.04 -0.29 1.92 3.08 -0.99 1.56 114.38 119.16 2roz h ARG 9 Ca -0.05 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2roz h ARG 9 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2roz h ARG 9 CO 0.08 0.02 0.42 1.25 -1.07 0.00 0.00 179.97 180.67 2roz h HIS 10 N 0.04 0.00 0.00 3.04 2.76 -0.92 0.18 115.15 120.25 2roz h HIS 10 Ca 0.23 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.05 2roz h HIS 10 Cb 0.34 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 2roz h HIS 10 CO -0.36 0.00 -1.87 1.28 -1.30 0.00 0.00 177.93 175.68 2roz n LEU 11 N -3.44 1.91 -0.31 0.26 4.77 0.23 -3.85 117.00 116.56 2roz n LEU 11 Ca 0.04 0.38 0.16 0.00 -0.03 0.00 0.00 56.01 56.57 2roz n LEU 11 Cb 0.56 -0.89 0.34 0.00 -2.33 0.00 0.00 43.42 41.10 2roz n LEU 11 CO 0.23 0.41 1.05 -1.28 -1.33 0.00 0.00 177.39 176.46 2roz h SER 12 N -1.00 0.32 -0.75 -1.43 0.87 0.30 1.21 113.55 113.08 2roz h SER 12 Ca -0.52 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2roz h SER 12 Cb 1.44 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.53 2roz h SER 12 CO -0.31 -0.06 0.34 0.07 -0.53 0.00 0.00 176.83 176.34 2roz h LYS 13 N 0.36 1.10 -0.00 2.24 5.09 -0.88 -0.73 116.57 123.74 2roz h LYS 13 Ca 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 60.65 61.17 2roz h LYS 13 Cb 1.21 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.35 2roz h LYS 13 CO -0.57 0.87 -0.02 -1.33 -2.09 0.00 0.00 179.45 176.31 2roz n MET 14 N -4.30 0.04 0.21 0.07 2.81 0.35 0.19 117.12 116.49 2roz n MET 14 Ca 0.07 -0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.07 2roz n MET 14 Cb 0.16 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.32 2roz n MET 14 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2roz h GLN 15 N 0.00 0.00 0.00 0.03 4.20 0.19 -3.34 115.11 116.19 2roz h GLN 15 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2roz h GLN 15 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2roz h GLN 15 CO 0.00 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 2roz n GLN 16 N -3.11 0.00 0.31 1.46 -0.00 -1.11 -4.84 117.38 110.08 2roz n GLN 16 Ca 0.04 0.00 0.19 0.00 -0.00 0.00 0.00 57.00 57.23 2roz n GLN 16 Cb 0.56 0.00 1.01 0.00 -0.00 0.00 0.00 30.24 31.80 2roz n GLN 16 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2roz h ASN 17 N 0.00 0.00 -0.18 2.61 -0.73 0.20 -3.47 115.58 114.01 2roz h ASN 17 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2roz h ASN 17 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2roz h ASN 17 CO 0.00 0.02 0.00 0.61 -0.37 0.00 0.00 177.43 177.69 2roz n GLY 18 N -0.86 -0.12 2.88 1.57 0.00 0.50 -4.84 105.19 104.33 2roz n GLY 18 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2roz n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2roz s TYR 19 N 0.00 0.21 -0.28 1.61 5.04 -1.26 -4.60 117.35 118.08 2roz s TYR 19 Ca 0.00 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2roz s TYR 19 Cb 0.00 -0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.20 2roz s TYR 19 CO 0.00 -0.03 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.14 2roz s GLU 20 N 0.20 1.79 -0.02 4.97 2.12 -1.26 -5.08 118.70 121.41 2roz s GLU 20 Ca -0.02 -1.37 -0.30 0.00 0.36 0.00 0.00 54.97 53.65 2roz s GLU 20 Cb -0.04 -2.83 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 2roz s GLU 20 CO -0.01 -0.69 1.82 1.21 -0.54 0.00 0.00 175.26 177.05 2roz s ASN 21 N 1.16 6.52 0.06 -1.70 2.47 -1.26 -4.88 114.94 117.32 2roz s ASN 21 Ca -0.02 2.40 -0.15 0.00 0.42 0.00 0.00 52.86 55.51 2roz s ASN 21 Cb -0.19 -2.53 -0.21 0.00 -1.45 0.00 0.00 41.25 36.87 2roz s ASN 21 CO -0.07 -1.03 1.21 1.55 -3.72 0.00 0.00 177.10 175.03 2roz h PRO 22 N 10.25 0.65 -0.98 0.43 0.13 -2.01 -3.27 132.00 137.20 2roz h PRO 22 Ca -0.44 -0.64 0.26 0.00 -0.87 0.00 0.00 66.00 64.31 2roz h PRO 22 Cb 1.21 0.16 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 2roz h PRO 22 CO 0.95 1.24 -0.01 0.00 -0.23 0.00 0.00 178.00 179.95 2roz h THR 23 N 0.31 0.03 -0.63 1.56 1.03 -2.07 0.51 112.91 113.65 2roz h THR 23 Ca -0.09 -0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.43 2roz h THR 23 Cb 1.49 0.02 -0.12 0.00 -1.07 0.00 0.00 68.15 68.47 2roz h THR 23 CO 0.17 0.00 -0.25 0.22 -0.01 0.00 0.00 175.52 175.65 2roz h TYR 24 N 0.01 -0.62 -4.25 0.00 3.20 -1.97 -3.47 116.97 109.87 2roz h TYR 24 Ca 0.57 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.51 2roz h TYR 24 Cb 1.14 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2roz h TYR 24 CO -0.53 -0.34 -0.92 1.63 -1.64 0.00 0.00 178.16 176.37 2roz n LYS 25 N -5.45 -5.31 -3.72 1.82 4.76 0.18 -5.05 118.16 105.38 2roz n LYS 25 Ca 0.07 3.80 -0.12 0.00 -2.87 0.00 0.00 58.31 59.18 2roz n LYS 25 Cb 0.35 -4.15 -0.13 0.00 -1.84 0.00 0.00 35.03 29.27 2roz n LYS 25 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2roz s PHE 26 N -0.50 -0.39 0.59 2.13 2.19 -1.26 -5.15 117.98 115.58 2roz s PHE 26 Ca 0.00 0.89 0.09 0.00 0.33 0.00 0.00 56.93 58.24 2roz s PHE 26 Cb 0.00 0.09 0.09 0.00 -1.31 0.00 0.00 43.02 41.89 2roz s PHE 26 CO 0.00 -0.26 0.81 -0.06 1.83 0.00 0.00 175.22 177.54 2roz s PHE 27 N 1.29 1.35 -0.32 10.12 0.08 -1.26 -4.84 117.98 124.40 2roz s PHE 27 Ca -0.09 -0.73 -0.11 0.00 0.12 0.00 0.00 56.93 56.12 2roz s PHE 27 Cb -0.10 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2roz s PHE 27 CO -0.09 -1.21 0.29 0.39 -0.10 0.00 0.00 175.22 174.50 2roz n GLU 28 N -2.28 -2.43 -3.69 0.44 1.02 -1.26 -5.04 120.64 107.40 2roz n GLU 28 Ca 0.16 2.08 -0.10 0.00 -0.02 0.00 0.00 57.16 59.28 2roz n GLU 28 Cb 0.62 -4.37 -0.10 0.00 -0.02 0.00 0.00 31.44 27.57 2roz n GLU 28 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2roz s GLN 29 N -1.98 0.48 -0.20 3.49 -0.21 -1.26 -5.04 119.66 114.94 2roz s GLN 29 Ca 0.14 0.84 -0.05 0.00 0.02 0.00 0.00 55.36 56.31 2roz s GLN 29 Cb -0.03 0.06 0.02 0.00 1.00 0.00 0.00 33.01 34.06 2roz s GLN 29 CO 0.68 -0.14 0.10 -1.33 -2.12 0.00 0.00 175.29 172.47 2roz n MET 30 N 4.00 -3.36 -0.98 2.91 2.81 -1.26 -4.88 117.12 116.37 2roz n MET 30 Ca -0.21 2.68 -0.36 0.00 -1.81 0.00 0.00 57.70 58.00 2roz n MET 30 Cb 0.56 -4.32 0.05 0.00 -0.71 0.00 0.00 33.22 28.80 2roz n MET 30 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roz n GLN 31 N 1.35 -0.04 0.00 0.03 6.02 -1.26 -5.29 117.38 118.19 2roz n GLN 31 Ca -0.16 -0.01 0.09 0.00 -0.01 0.00 0.00 57.00 56.91 2roz n GLN 31 Cb 0.31 -1.07 0.56 0.00 1.02 0.00 0.00 30.24 31.06 2roz n GLN 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14