#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 0.28 -0.16 -1.67 0.00 -1.26 -5.10 121.76 113.86 2roz s ALA 2 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 2roz s ALA 2 Cb 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 2roz s ALA 2 CO 0.00 -0.30 2.17 0.00 0.00 0.00 0.00 175.76 177.62 2roz s ALA 3 N -2.98 2.92 0.60 0.00 0.00 -1.26 -4.88 121.76 116.16 2roz s ALA 3 Ca -0.02 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 2roz s ALA 3 Cb 0.01 -4.02 -0.14 0.00 0.00 0.00 0.00 23.12 18.97 2roz s ALA 3 CO -0.06 -2.52 -0.16 1.55 0.00 0.00 0.00 175.76 174.57 2roz n VAL 4 N 7.24 0.24 -3.95 0.00 3.14 -1.26 -4.95 118.33 118.78 2roz n VAL 4 Ca 0.28 -0.49 -0.23 0.00 -2.96 0.00 0.00 64.34 60.93 2roz n VAL 4 Cb 0.44 -0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 33.12 2roz n VAL 4 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2roz s THR 5 N -1.98 5.28 0.02 1.55 -4.23 -1.26 -5.01 115.64 110.02 2roz s THR 5 Ca 0.55 -0.87 0.19 0.00 -1.18 0.00 0.00 61.69 60.39 2roz s THR 5 Cb -0.44 -3.82 0.15 0.00 1.34 0.00 0.00 72.50 69.73 2roz s THR 5 CO 0.68 -0.25 1.65 1.55 -0.54 0.00 0.00 174.62 177.71 2roz h PRO 6 N 1.51 0.00 0.20 3.99 0.13 -1.99 -2.88 132.00 132.97 2roz h PRO 6 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2roz h PRO 6 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2roz h PRO 6 CO 0.64 0.36 -0.10 1.49 -0.23 0.00 0.00 178.00 180.16 2roz h GLU 7 N 0.00 -0.26 -0.48 0.86 4.57 -2.00 -2.80 114.58 114.47 2roz h GLU 7 Ca -0.00 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.33 2roz h GLU 7 Cb 1.03 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2roz h GLU 7 CO 0.05 -0.05 0.46 1.49 -1.18 0.00 0.00 179.01 179.78 2roz h GLU 8 N -1.03 0.00 -0.19 1.92 4.81 -1.99 0.19 114.58 118.30 2roz h GLU 8 Ca -0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2roz h GLU 8 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2roz h GLU 8 CO 0.05 0.00 -0.33 0.00 -0.73 0.00 0.00 179.01 177.99 2roz h ARG 9 N 0.00 0.56 -0.06 1.92 2.47 -1.52 0.58 114.38 118.32 2roz h ARG 9 Ca 0.23 -0.35 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2roz h ARG 9 Cb 1.14 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2roz h ARG 9 CO -0.00 0.96 0.22 1.25 0.56 0.00 0.00 179.97 182.96 2roz h HIS 10 N 0.22 0.00 0.00 3.04 -0.00 -0.34 -1.54 115.15 116.53 2roz h HIS 10 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 60.37 59.97 2roz h HIS 10 Cb 0.92 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.27 2roz h HIS 10 CO 0.09 0.00 -2.29 1.28 -0.00 0.00 0.00 177.93 177.01 2roz n LEU 11 N -3.18 1.94 -0.59 0.26 4.77 -1.04 -3.65 117.00 115.52 2roz n LEU 11 Ca -0.01 0.35 0.47 0.00 -0.03 0.00 0.00 56.01 56.79 2roz n LEU 11 Cb 0.30 -0.84 0.77 0.00 -2.33 0.00 0.00 43.42 41.32 2roz n LEU 11 CO 0.19 0.50 1.41 -1.28 -1.33 0.00 0.00 177.39 176.88 2roz h SER 12 N -1.00 0.06 0.01 -1.43 0.87 0.85 1.08 113.55 113.98 2roz h SER 12 Ca -0.63 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 59.95 2roz h SER 12 Cb 1.55 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2roz h SER 12 CO -0.38 -0.04 -0.08 0.07 -0.53 0.00 0.00 176.83 175.87 2roz h LYS 13 N 0.02 0.01 0.00 2.24 2.10 -1.49 -3.23 116.57 116.22 2roz h LYS 13 Ca 0.85 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.48 2roz h LYS 13 Cb 3.26 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 34.60 2roz h LYS 13 CO -0.11 1.01 0.01 -1.33 -2.00 0.00 0.00 179.45 177.04 2roz n MET 14 N -4.58 0.06 0.08 0.07 2.81 0.34 0.21 117.12 116.11 2roz n MET 14 Ca -0.11 0.56 -0.04 0.00 -1.81 0.00 0.00 57.70 56.30 2roz n MET 14 Cb 0.50 -1.73 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.26 0.00 0.03 4.20 -0.43 -3.27 115.11 115.38 2roz h GLN 15 Ca 0.00 0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.45 2roz h GLN 15 Cb 0.03 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2roz h GLN 15 CO 0.00 -0.18 -2.03 0.00 -0.67 0.00 0.00 178.83 175.95 2roz n GLN 16 N -4.08 0.44 0.00 1.46 0.00 -1.01 -4.38 117.38 109.81 2roz n GLN 16 Ca -0.03 0.12 0.10 0.00 0.00 0.00 0.00 57.00 57.19 2roz n GLN 16 Cb 0.11 -1.32 0.46 0.00 0.00 0.00 0.00 30.24 29.49 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 -3.22 0.00 0.00 2.61 3.02 0.54 -4.94 115.26 113.27 2roz n ASN 17 Ca -0.33 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2roz n ASN 17 Cb 0.82 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.53 0.63 3.63 7.41 0.00 0.55 -4.76 105.19 113.19 2roz n GLY 18 Ca 0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.80 -0.26 1.61 5.04 -1.26 -4.03 117.35 117.66 2roz s TYR 19 Ca 0.00 1.84 0.02 0.00 -2.44 0.00 0.00 57.07 56.49 2roz s TYR 19 Cb 0.00 0.36 0.07 0.00 0.35 0.00 0.00 41.96 42.74 2roz s TYR 19 CO 0.00 -0.39 -0.06 -2.00 -1.34 0.00 0.00 175.55 171.77 2roz s GLU 20 N 0.66 1.81 -0.35 4.97 2.12 -1.26 -5.07 118.70 121.58 2roz s GLU 20 Ca -0.02 -1.24 -0.33 0.00 0.36 0.00 0.00 54.97 53.74 2roz s GLU 20 Cb -0.05 -2.76 -0.10 0.00 0.26 0.00 0.00 34.13 31.48 2roz s GLU 20 CO -0.05 -0.64 2.23 -1.71 -0.54 0.00 0.00 175.26 174.54 2roz n ASN 21 N 4.53 2.28 -3.88 -1.70 5.15 -1.26 -4.79 115.26 115.59 2roz n ASN 21 Ca -0.10 0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.78 2roz n ASN 21 Cb 0.43 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 2roz n ASN 21 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2roz n PRO 22 N 8.36 2.21 0.00 1.20 -0.04 -1.26 -2.97 135.00 142.49 2roz n PRO 22 Ca 0.40 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 2roz n PRO 22 Cb 0.28 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 2roz n PRO 22 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2roz n THR 23 N 5.92 0.00 -0.30 0.52 5.66 -1.26 -4.97 114.28 119.84 2roz n THR 23 Ca 0.50 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.60 2roz n THR 23 Cb 0.41 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.40 2roz n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roz n TYR 24 N -1.33 0.47 -2.75 1.09 9.36 -1.16 -4.87 117.16 117.97 2roz n TYR 24 Ca 0.00 1.05 -0.03 0.00 3.32 0.00 0.00 57.90 62.23 2roz n TYR 24 Cb 0.00 -1.10 -0.03 0.00 -0.63 0.00 0.00 39.34 37.58 2roz n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2roz n LYS 25 N -5.30 -3.54 -3.64 2.98 0.00 -1.26 -5.06 118.16 102.33 2roz n LYS 25 Ca 0.18 2.77 -0.03 0.00 0.00 0.00 0.00 58.31 61.23 2roz n LYS 25 Cb 0.59 -4.05 -0.07 0.00 0.00 0.00 0.00 35.03 31.50 2roz n LYS 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2roz s PHE 26 N -0.72 -0.38 0.30 5.64 0.08 -1.26 -5.18 117.98 116.46 2roz s PHE 26 Ca -0.17 0.80 -0.19 0.00 0.12 0.00 0.00 56.93 57.49 2roz s PHE 26 Cb 0.01 0.30 0.05 0.00 -0.57 0.00 0.00 43.02 42.82 2roz s PHE 26 CO 0.59 -0.19 0.84 -0.59 -0.10 0.00 0.00 175.22 175.78 2roz s PHE 27 N 0.87 0.00 0.42 0.36 -0.12 -1.26 -5.14 117.98 113.12 2roz s PHE 27 Ca -0.04 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 2roz s PHE 27 Cb -0.04 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.11 2roz s PHE 27 CO -0.12 -1.28 0.00 0.39 -0.05 0.00 0.00 175.22 174.15 2roz n GLU 28 N -0.54 -4.07 -3.68 1.99 1.02 -1.26 -5.07 120.64 109.04 2roz n GLU 28 Ca -0.06 3.00 -0.15 0.00 -0.02 0.00 0.00 57.16 59.94 2roz n GLU 28 Cb 0.60 -3.36 -0.08 0.00 -0.02 0.00 0.00 31.44 28.58 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 -3.62 0.77 -0.90 3.49 -0.21 -1.26 -5.06 119.66 112.87 2roz s GLN 29 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.45 2roz s GLN 29 Cb 0.00 0.35 0.32 0.00 1.00 0.00 0.00 33.01 34.68 2roz s GLN 29 CO 0.00 -0.21 2.02 0.00 -2.12 0.00 0.00 175.29 174.98 2roz n MET 30 N 1.43 3.65 -4.34 2.91 0.00 -1.26 -4.82 117.12 114.69 2roz n MET 30 Ca -0.19 -3.82 -0.32 0.00 0.00 0.00 0.00 57.70 53.36 2roz n MET 30 Cb 0.56 -2.34 -0.10 0.00 0.00 0.00 0.00 33.22 31.35 2roz n MET 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2roz n GLN 31 N -0.24 -0.91 0.00 3.17 10.64 -1.26 -5.38 117.38 123.40 2roz n GLN 31 Ca 0.52 0.10 0.10 0.00 -1.83 0.00 0.00 57.00 55.88 2roz n GLN 31 Cb 0.26 -3.71 0.08 0.00 -0.86 0.00 0.00 30.24 26.01 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52