#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz n ALA 2 N 0.00 -3.25 -3.90 2.12 0.00 -1.26 -4.71 120.51 109.51 2roz n ALA 2 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 53.44 53.80 2roz n ALA 2 Cb 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.06 2roz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roz s ALA 3 N -3.27 3.59 1.30 0.00 0.00 -1.26 -5.09 121.76 117.02 2roz s ALA 3 Ca 0.00 -3.63 -0.18 0.00 0.00 0.00 0.00 51.96 48.15 2roz s ALA 3 Cb 0.00 -2.15 0.33 0.00 0.00 0.00 0.00 23.12 21.30 2roz s ALA 3 CO 0.00 -2.07 0.98 0.14 0.00 0.00 0.00 175.76 174.81 2roz s VAL 4 N -1.07 1.57 0.92 0.00 -7.23 -1.26 -4.95 120.40 108.38 2roz s VAL 4 Ca 0.23 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.28 2roz s VAL 4 Cb -0.10 -2.11 0.10 0.00 0.56 0.00 0.00 36.38 34.83 2roz s VAL 4 CO -0.12 0.00 0.86 0.35 -0.31 0.00 0.00 175.10 175.88 2roz n THR 5 N -5.28 0.18 0.14 5.32 -2.24 -1.26 -4.91 114.28 106.23 2roz n THR 5 Ca 0.08 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2roz n THR 5 Cb 0.58 -0.86 0.16 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.67 0.00 0.28 -0.78 0.13 -2.01 -3.19 132.00 124.76 2roz h PRO 6 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2roz h PRO 6 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2roz h PRO 6 CO 0.39 0.58 -0.13 1.49 -0.23 0.00 0.00 178.00 180.09 2roz h GLU 7 N 0.00 -0.36 -0.96 0.86 4.57 -2.01 -3.18 114.58 113.50 2roz h GLU 7 Ca -0.01 0.02 0.32 0.00 -1.18 0.00 0.00 59.36 58.51 2roz h GLU 7 Cb 1.19 0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 29.69 2roz h GLU 7 CO 0.07 -0.24 0.20 -1.91 -1.18 0.00 0.00 179.01 175.96 2roz n GLU 8 N -4.92 -0.07 0.07 1.92 0.00 -1.25 0.94 120.64 117.33 2roz n GLU 8 Ca -0.05 1.40 -0.12 0.00 0.00 0.00 0.00 57.16 58.40 2roz n GLU 8 Cb 0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 31.44 29.21 2roz n GLU 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2roz h ARG 9 N 0.00 -0.41 -0.83 5.31 3.08 -1.62 0.35 114.38 120.27 2roz h ARG 9 Ca 0.67 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.95 2roz h ARG 9 Cb 1.56 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.56 2roz h ARG 9 CO -0.85 -0.27 0.14 1.25 -1.07 0.00 0.00 179.97 179.17 2roz h HIS 10 N -0.42 0.19 0.44 3.04 2.76 0.58 0.51 115.15 122.25 2roz h HIS 10 Ca 0.05 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2roz h HIS 10 Cb 0.49 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2roz h HIS 10 CO -0.28 -0.22 -0.21 -0.07 -1.30 0.00 0.00 177.93 175.85 2roz h LEU 11 N 0.17 -0.51 -0.98 0.26 3.38 -0.78 -2.63 115.31 114.23 2roz h LEU 11 Ca 0.49 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.65 2roz h LEU 11 Cb 0.94 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 2roz h LEU 11 CO -0.66 -0.27 -0.32 -0.24 0.09 0.00 0.00 178.44 177.05 2roz n SER 12 N -4.11 -0.50 -0.16 -0.43 2.88 0.11 0.12 113.62 111.52 2roz n SER 12 Ca -0.07 1.70 -0.04 0.00 -1.33 0.00 0.00 58.87 59.12 2roz n SER 12 Cb 0.24 -0.45 0.03 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.09 -0.10 -1.46 3.64 -0.02 -0.54 116.57 118.00 2roz h LYS 13 Ca 0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2roz h LYS 13 Cb 0.65 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2roz h LYS 13 CO -0.99 -0.06 0.07 0.52 -2.27 0.00 0.00 179.45 176.72 2roz h MET 14 N -0.10 0.13 -1.40 1.90 2.86 0.13 0.38 114.93 118.83 2roz h MET 14 Ca 0.24 -0.01 0.42 0.00 -2.06 0.00 0.00 59.70 58.29 2roz h MET 14 Cb 0.47 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.00 2roz h MET 14 CO -0.58 0.09 0.95 1.96 1.06 0.00 0.00 176.91 180.40 2roz h GLN 15 N 0.13 0.09 0.00 1.72 4.20 0.10 -2.63 115.11 118.73 2roz h GLN 15 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2roz h GLN 15 Cb -0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2roz h GLN 15 CO -0.01 0.06 0.00 1.04 -0.67 0.00 0.00 178.83 179.25 2roz n GLN 16 N -4.40 0.00 -0.19 1.46 6.02 -0.73 -4.85 117.38 114.69 2roz n GLN 16 Ca 0.34 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.28 2roz n GLN 16 Cb 1.44 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.65 2roz n GLN 16 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2roz n ASN 17 N 0.00 -0.48 0.00 1.08 3.02 0.12 -4.89 115.26 114.11 2roz n ASN 17 Ca 0.00 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 2roz n ASN 17 Cb 0.00 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.11 -2.48 3.08 7.41 0.00 -0.60 -4.95 105.19 106.53 2roz n GLY 18 Ca 0.01 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.50 1.59 -0.30 1.61 5.04 -1.26 -4.78 117.35 118.75 2roz s TYR 19 Ca 0.00 -0.53 0.02 0.00 -2.44 0.00 0.00 57.07 54.11 2roz s TYR 19 Cb 0.00 -1.12 0.09 0.00 0.35 0.00 0.00 41.96 41.28 2roz s TYR 19 CO 0.00 -0.23 0.03 -2.00 -1.34 0.00 0.00 175.55 172.01 2roz s GLU 20 N 0.36 1.35 -0.19 4.97 2.12 -1.26 -5.08 118.70 120.97 2roz s GLU 20 Ca -0.10 -1.41 -0.33 0.00 0.36 0.00 0.00 54.97 53.49 2roz s GLU 20 Cb -0.14 -2.71 -0.10 0.00 0.26 0.00 0.00 34.13 31.44 2roz s GLU 20 CO 0.03 -0.85 2.05 -1.71 -0.54 0.00 0.00 175.26 174.24 2roz n ASN 21 N 4.52 3.04 0.03 -1.70 2.85 -1.26 -4.83 115.26 117.91 2roz n ASN 21 Ca -0.03 0.63 -0.17 0.00 -0.11 0.00 0.00 54.58 54.91 2roz n ASN 21 Cb 0.42 -1.38 -0.07 0.00 1.24 0.00 0.00 39.78 39.99 2roz n ASN 21 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2roz h PRO 22 N 11.51 0.64 -0.80 1.20 0.13 -2.07 -3.25 132.00 139.36 2roz h PRO 22 Ca -0.41 -0.63 0.19 0.00 -0.87 0.00 0.00 66.00 64.28 2roz h PRO 22 Cb 1.28 0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 2roz h PRO 22 CO 0.97 1.23 0.01 0.00 -0.23 0.00 0.00 178.00 179.98 2roz h THR 23 N 0.39 0.29 -0.85 1.56 1.03 -2.07 -3.40 112.91 109.87 2roz h THR 23 Ca -0.09 -0.03 -0.79 0.00 -0.01 0.00 0.00 66.41 65.49 2roz h THR 23 Cb 1.56 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 68.82 2roz h THR 23 CO 0.18 0.02 1.03 0.00 -0.01 0.00 0.00 175.52 176.73 2roz n TYR 24 N -5.37 1.63 -3.45 0.00 9.36 -1.23 -4.89 117.16 113.22 2roz n TYR 24 Ca 0.15 0.77 -0.28 0.00 3.32 0.00 0.00 57.90 61.87 2roz n TYR 24 Cb 0.52 -2.34 -0.11 0.00 -0.63 0.00 0.00 39.34 36.77 2roz n TYR 24 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2roz s LYS 25 N 4.46 0.57 -0.12 2.98 2.20 -1.26 -5.07 119.74 123.49 2roz s LYS 25 Ca 1.09 -1.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 2roz s LYS 25 Cb -1.31 -1.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 2roz s LYS 25 CO 0.69 -1.22 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.24 2roz s PHE 26 N 1.08 2.15 0.09 4.03 0.08 -1.26 -5.10 117.98 119.05 2roz s PHE 26 Ca 0.18 -1.07 -0.31 0.00 0.12 0.00 0.00 56.93 55.86 2roz s PHE 26 Cb -0.21 -1.54 -0.09 0.00 -0.57 0.00 0.00 43.02 40.61 2roz s PHE 26 CO -0.00 -0.54 1.76 -0.06 -0.10 0.00 0.00 175.22 176.27 2roz s PHE 27 N 1.06 2.21 0.05 0.36 0.08 -1.26 -4.98 117.98 115.49 2roz s PHE 27 Ca -0.04 0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 2roz s PHE 27 Cb -0.15 -4.08 -0.05 0.00 -0.57 0.00 0.00 43.02 38.17 2roz s PHE 27 CO -0.04 -4.45 0.29 -1.83 -0.10 0.00 0.00 175.22 169.10 2roz s GLU 28 N 2.84 3.58 -0.30 0.44 1.03 -1.26 -5.06 118.70 119.97 2roz s GLU 28 Ca 0.78 -0.12 -0.08 0.00 0.03 0.00 0.00 54.97 55.58 2roz s GLU 28 Cb -0.43 -3.02 0.19 0.00 -0.80 0.00 0.00 34.13 30.07 2roz s GLU 28 CO 0.35 0.60 0.97 -0.65 -1.33 0.00 0.00 175.26 175.19 2roz s GLN 29 N -2.07 0.22 0.08 -4.83 -0.21 -1.26 -5.17 119.66 106.41 2roz s GLN 29 Ca 0.32 0.20 -0.27 0.00 0.02 0.00 0.00 55.36 55.63 2roz s GLN 29 Cb -0.13 0.09 0.09 0.00 1.00 0.00 0.00 33.01 34.06 2roz s GLN 29 CO 0.20 -0.40 1.11 0.00 -2.12 0.00 0.00 175.29 174.08 2roz s MET 30 N 2.90 0.86 0.62 2.91 0.23 -1.26 -5.15 119.30 120.40 2roz s MET 30 Ca 0.24 -0.48 -0.18 0.00 -1.03 0.00 0.00 55.69 54.24 2roz s MET 30 Cb -0.03 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2roz s MET 30 CO -0.23 -0.39 0.95 0.00 -2.03 0.00 0.00 175.02 173.32 2roz n GLN 31 N -0.51 0.82 0.00 3.16 10.64 -1.26 -5.36 117.38 124.88 2roz n GLN 31 Ca -0.07 0.32 0.09 0.00 -1.83 0.00 0.00 57.00 55.52 2roz n GLN 31 Cb 0.61 -2.17 0.07 0.00 -0.86 0.00 0.00 30.24 27.90 2roz n GLN 31 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50