#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 3.23 -0.59 2.24 0.00 -1.26 -4.32 121.76 121.06 2roz s ALA 2 Ca 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.10 2roz s ALA 2 Cb 0.00 -3.69 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 2roz s ALA 2 CO 0.00 -2.52 0.56 0.00 0.00 0.00 0.00 175.76 173.80 2roz n ALA 3 N 7.13 -2.28 -1.67 0.00 0.00 -1.26 -4.81 120.51 117.63 2roz n ALA 3 Ca -0.05 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.80 2roz n ALA 3 Cb 0.45 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 2roz n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2roz n VAL 4 N -1.65 0.11 -0.72 0.00 3.14 -1.26 -4.86 118.33 113.09 2roz n VAL 4 Ca -0.00 -0.02 -0.32 0.00 -2.96 0.00 0.00 64.34 61.04 2roz n VAL 4 Cb 0.50 -0.74 0.15 0.00 -1.06 0.00 0.00 33.84 32.69 2roz n VAL 4 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2roz n THR 5 N 3.54 0.00 0.00 1.55 -2.24 -1.26 -4.91 114.28 110.96 2roz n THR 5 Ca 0.25 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 2roz n THR 5 Cb 0.08 -0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 2roz n THR 5 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2roz h PRO 6 N -1.76 0.60 0.51 -0.78 0.13 -2.00 -2.99 132.00 125.70 2roz h PRO 6 Ca -0.43 -0.58 -0.02 0.00 -0.87 0.00 0.00 66.00 64.10 2roz h PRO 6 Cb 1.28 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2roz h PRO 6 CO 0.38 1.19 -0.24 1.49 -0.23 0.00 0.00 178.00 180.59 2roz h GLU 7 N 0.21 -0.66 -1.00 0.86 4.57 -2.00 -2.19 114.58 114.38 2roz h GLU 7 Ca -0.08 0.04 0.36 0.00 -1.18 0.00 0.00 59.36 58.51 2roz h GLU 7 Cb 1.42 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 29.99 2roz h GLU 7 CO 0.15 -0.44 0.52 1.49 -1.18 0.00 0.00 179.01 179.55 2roz h GLU 8 N -0.74 0.15 0.50 1.92 4.22 -1.96 0.36 114.58 119.02 2roz h GLU 8 Ca -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.35 2roz h GLU 8 Cb 0.52 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2roz h GLU 8 CO 0.11 0.10 -0.34 0.00 -2.18 0.00 0.00 179.01 176.70 2roz h ARG 9 N 0.15 -0.78 -1.16 1.92 3.08 -1.35 1.22 114.38 117.45 2roz h ARG 9 Ca 0.78 0.05 0.34 0.00 0.07 0.00 0.00 59.98 61.22 2roz h ARG 9 Cb 1.91 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 32.09 2roz h ARG 9 CO -0.70 -0.52 0.89 1.25 -1.07 0.00 0.00 179.97 179.81 2roz h HIS 10 N -0.81 0.00 0.00 3.04 2.76 0.33 0.14 115.15 120.61 2roz h HIS 10 Ca -0.05 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 2roz h HIS 10 Cb 0.68 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 2roz h HIS 10 CO -0.12 0.00 -0.62 -0.07 -1.30 0.00 0.00 177.93 175.81 2roz h LEU 11 N 0.00 0.00 -0.92 0.26 3.38 -0.60 -3.33 115.31 114.10 2roz h LEU 11 Ca 0.55 -0.56 0.30 0.00 0.09 0.00 0.00 57.88 58.25 2roz h LEU 11 Cb 2.32 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.90 2roz h LEU 11 CO -0.01 1.14 0.17 -0.24 0.09 0.00 0.00 178.44 179.60 2roz n SER 12 N -4.55 0.03 0.19 -0.43 2.88 0.41 0.16 113.62 112.31 2roz n SER 12 Ca -0.19 1.56 -0.11 0.00 -1.33 0.00 0.00 58.87 58.80 2roz n SER 12 Cb 0.50 -0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 63.27 2roz n SER 12 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2roz h LYS 13 N 0.00 -0.62 -1.13 -1.46 3.64 -1.37 -1.36 116.57 114.27 2roz h LYS 13 Ca 0.63 0.04 0.39 0.00 -1.27 0.00 0.00 60.65 60.44 2roz h LYS 13 Cb 1.44 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 33.26 2roz h LYS 13 CO -0.82 -0.41 0.68 0.52 -2.27 0.00 0.00 179.45 177.15 2roz h MET 14 N -0.64 0.15 0.62 1.90 2.86 -0.39 0.31 114.93 119.73 2roz h MET 14 Ca -0.04 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2roz h MET 14 Cb 0.55 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.18 2roz h MET 14 CO -0.02 0.10 -0.30 1.96 1.06 0.00 0.00 176.91 179.71 2roz h GLN 15 N 0.15 -0.80 0.00 1.72 4.20 -0.35 -3.15 115.11 116.88 2roz h GLN 15 Ca 0.79 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.56 2roz h GLN 15 Cb 2.17 0.18 0.00 0.00 0.30 0.00 0.00 27.48 30.14 2roz h GLN 15 CO -0.55 -0.51 0.00 1.04 -0.67 0.00 0.00 178.83 178.13 2roz n GLN 16 N -5.42 0.00 0.00 1.46 3.00 0.96 -4.67 117.38 112.71 2roz n GLN 16 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2roz n GLN 16 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.56 2roz n GLN 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2roz n ASN 17 N 0.00 0.00 0.00 1.08 3.02 -0.51 -4.96 115.26 113.89 2roz n ASN 17 Ca 0.00 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 2roz n ASN 17 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2roz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roz n GLY 18 N -0.99 -2.94 3.15 7.41 0.00 -0.92 -4.96 105.19 105.92 2roz n GLY 18 Ca 0.00 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.94 2.18 -0.18 1.61 5.04 -1.26 -4.76 117.35 119.03 2roz s TYR 19 Ca 0.00 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 53.75 2roz s TYR 19 Cb 0.00 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.84 2roz s TYR 19 CO 0.00 -0.39 -0.17 -2.00 -1.34 0.00 0.00 175.55 171.66 2roz s GLU 20 N 0.50 2.63 -0.21 4.97 2.12 -1.26 -5.07 118.70 122.38 2roz s GLU 20 Ca -0.16 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 2roz s GLU 20 Cb -0.17 -2.46 -0.06 0.00 0.26 0.00 0.00 34.13 31.69 2roz s GLU 20 CO 0.06 -0.28 2.20 0.09 -0.54 0.00 0.00 175.26 176.79 2roz n ASN 21 N 4.65 3.20 0.14 -1.70 4.13 -1.26 -4.81 115.26 119.61 2roz n ASN 21 Ca -0.19 0.29 0.01 0.00 1.68 0.00 0.00 54.58 56.37 2roz n ASN 21 Cb 0.49 -1.52 0.15 0.00 -1.54 0.00 0.00 39.78 37.36 2roz n ASN 21 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2roz h PRO 22 N 14.36 0.00 -0.68 3.52 0.13 -2.06 -3.17 132.00 144.11 2roz h PRO 22 Ca -0.40 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2roz h PRO 22 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2roz h PRO 22 CO 0.97 0.58 0.30 0.00 -0.23 0.00 0.00 178.00 179.62 2roz h THR 23 N 0.00 1.23 -2.98 1.56 1.03 -2.07 -3.44 112.91 108.25 2roz h THR 23 Ca -0.01 -0.69 -0.53 0.00 -0.01 0.00 0.00 66.41 65.18 2roz h THR 23 Cb 1.20 0.43 0.22 0.00 -1.07 0.00 0.00 68.15 68.93 2roz h THR 23 CO 0.08 0.28 -0.95 0.00 -0.01 0.00 0.00 175.52 174.92 2roz n TYR 24 N -4.43 -2.40 -3.64 0.00 9.36 -1.20 -5.03 117.16 109.82 2roz n TYR 24 Ca 0.05 0.17 -0.05 0.00 3.32 0.00 0.00 57.90 61.39 2roz n TYR 24 Cb 0.15 -1.68 -0.07 0.00 -0.63 0.00 0.00 39.34 37.11 2roz n TYR 24 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2roz s LYS 25 N -3.20 0.41 0.01 2.98 0.00 -1.26 -5.07 119.74 113.61 2roz s LYS 25 Ca 0.52 0.60 -0.28 0.00 0.00 0.00 0.00 55.97 56.81 2roz s LYS 25 Cb -0.19 0.14 0.10 0.00 0.00 0.00 0.00 37.83 37.88 2roz s LYS 25 CO 0.71 -0.07 0.88 -0.06 0.00 0.00 0.00 175.35 176.82 2roz s PHE 26 N 0.81 -0.34 0.10 1.78 0.08 -1.26 -5.15 117.98 114.00 2roz s PHE 26 Ca -0.03 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2roz s PHE 26 Cb -0.04 0.54 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 2roz s PHE 26 CO -0.11 -0.57 0.00 1.19 -0.10 0.00 0.00 175.22 175.63 2roz n PHE 27 N -0.26 -2.33 -3.57 0.36 3.72 -1.26 -4.99 117.46 109.14 2roz n PHE 27 Ca -0.09 0.56 -0.12 0.00 -0.05 0.00 0.00 57.45 57.76 2roz n PHE 27 Cb 0.62 -0.95 -0.05 0.00 -0.94 0.00 0.00 39.48 38.15 2roz n PHE 27 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2roz s GLU 28 N -0.88 0.66 -0.11 -1.08 1.03 -1.26 -5.09 118.70 111.97 2roz s GLU 28 Ca 0.00 0.18 -0.13 0.00 0.03 0.00 0.00 54.97 55.05 2roz s GLU 28 Cb 0.00 0.31 -0.04 0.00 -0.80 0.00 0.00 34.13 33.60 2roz s GLU 28 CO 0.00 -0.20 -0.26 1.04 -1.33 0.00 0.00 175.26 174.51 2roz n GLN 29 N 0.82 0.39 -2.90 -4.83 6.02 -1.26 -5.09 117.38 110.53 2roz n GLN 29 Ca -0.12 0.16 -0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2roz n GLN 29 Cb 0.58 -1.19 -0.00 0.00 1.02 0.00 0.00 30.24 30.65 2roz n GLN 29 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2roz n MET 30 N -4.21 -2.26 -3.18 -1.09 2.81 -1.26 -4.32 117.12 103.62 2roz n MET 30 Ca -0.11 2.02 -0.02 0.00 -1.81 0.00 0.00 57.70 57.78 2roz n MET 30 Cb 0.39 -3.69 0.00 0.00 -0.71 0.00 0.00 33.22 29.21 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 0.94 -0.53 0.00 0.03 6.02 -1.26 -5.37 117.38 117.21 2roz n GLN 31 Ca -0.00 0.92 0.01 0.00 -0.01 0.00 0.00 57.00 57.92 2roz n GLN 31 Cb 0.19 -1.30 0.05 0.00 1.02 0.00 0.00 30.24 30.21 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34