#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 2.30 -0.15 2.12 0.00 -1.26 -5.02 121.76 119.75 2roz s ALA 2 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2roz s ALA 2 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2roz s ALA 2 CO 0.00 -1.67 0.38 0.00 0.00 0.00 0.00 175.76 174.47 2roz s ALA 3 N -3.14 3.54 1.01 0.00 0.00 -1.26 -5.08 121.76 116.84 2roz s ALA 3 Ca 0.60 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 2roz s ALA 3 Cb -0.14 -2.52 0.22 0.00 0.00 0.00 0.00 23.12 20.68 2roz s ALA 3 CO 0.54 0.02 1.30 0.14 0.00 0.00 0.00 175.76 177.77 2roz s VAL 4 N 0.61 1.94 0.51 0.00 -7.23 -1.26 -4.98 120.40 109.98 2roz s VAL 4 Ca 0.21 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.16 2roz s VAL 4 Cb -0.14 -2.93 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 2roz s VAL 4 CO 0.07 0.00 1.03 0.41 -0.31 0.00 0.00 175.10 176.30 2roz n THR 5 N -3.96 3.10 -0.04 5.32 -1.04 -1.26 -4.94 114.28 111.46 2roz n THR 5 Ca 0.16 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 2roz n THR 5 Cb 0.59 -1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 67.76 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 1.10 -0.00 0.53 -2.82 0.13 -2.01 -3.21 132.00 125.72 2roz h PRO 6 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2roz h PRO 6 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2roz h PRO 6 CO 0.54 0.74 -0.33 1.49 -0.23 0.00 0.00 178.00 180.21 2roz h GLU 7 N -0.75 -0.79 -0.95 0.86 4.57 -2.01 -2.39 114.58 113.13 2roz h GLU 7 Ca -0.00 0.05 0.32 0.00 -1.18 0.00 0.00 59.36 58.55 2roz h GLU 7 Cb 0.74 0.18 -0.17 0.00 -0.16 0.00 0.00 28.75 29.34 2roz h GLU 7 CO 0.00 -0.53 0.22 -1.91 -1.18 0.00 0.00 179.01 175.61 2roz n GLU 8 N -5.46 -0.07 0.00 1.92 4.07 -1.26 0.14 120.64 119.98 2roz n GLU 8 Ca -0.12 1.37 -0.09 0.00 -0.06 0.00 0.00 57.16 58.26 2roz n GLU 8 Cb 0.36 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.41 2roz n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2roz h ARG 9 N 0.00 -0.15 -0.99 5.31 2.47 -1.43 1.02 114.38 120.61 2roz h ARG 9 Ca 0.67 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 59.62 2roz h ARG 9 Cb 1.57 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 29.83 2roz h ARG 9 CO -0.82 -0.10 0.62 1.25 0.56 0.00 0.00 179.97 181.48 2roz h HIS 10 N -0.15 0.86 0.03 3.04 2.76 0.13 0.82 115.15 122.64 2roz h HIS 10 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2roz h HIS 10 Cb 0.27 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.98 2roz h HIS 10 CO -0.24 0.16 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.46 2roz h LEU 11 N 0.58 -0.04 -1.47 0.26 3.38 -0.49 -3.04 115.31 114.49 2roz h LEU 11 Ca 0.57 0.00 0.47 0.00 0.09 0.00 0.00 57.88 59.02 2roz h LEU 11 Cb 1.14 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2roz h LEU 11 CO -0.33 0.08 0.94 0.28 0.09 0.00 0.00 178.44 179.50 2roz h SER 12 N -0.26 0.19 0.63 -0.43 0.02 0.13 0.93 113.55 114.75 2roz h SER 12 Ca -0.00 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2roz h SER 12 Cb 0.03 0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2roz h SER 12 CO 0.01 -0.20 -0.30 0.50 -1.14 0.00 0.00 176.83 175.69 2roz h LYS 13 N 0.03 -0.81 -0.37 3.45 3.64 0.57 -3.02 116.57 120.06 2roz h LYS 13 Ca 0.87 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 60.30 2roz h LYS 13 Cb 2.86 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 34.85 2roz h LYS 13 CO -0.39 -0.53 0.23 0.52 -2.27 0.00 0.00 179.45 177.01 2roz h MET 14 N -0.88 0.51 -1.34 1.90 2.86 0.84 0.53 114.93 119.34 2roz h MET 14 Ca -0.09 -0.04 0.39 0.00 -2.06 0.00 0.00 59.70 57.90 2roz h MET 14 Cb 0.66 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 2roz h MET 14 CO 0.14 0.37 1.19 1.96 1.06 0.00 0.00 176.91 181.63 2roz h GLN 15 N 0.49 0.00 0.00 1.72 4.20 -0.55 -0.34 115.11 120.64 2roz h GLN 15 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2roz h GLN 15 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2roz h GLN 15 CO -0.03 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.17 2roz n GLN 16 N -3.64 0.00 -0.52 1.46 3.00 -0.70 -4.80 117.38 112.18 2roz n GLN 16 Ca 0.30 0.00 0.43 0.00 -0.01 0.00 0.00 57.00 57.72 2roz n GLN 16 Cb 1.60 0.00 0.71 0.00 0.00 0.00 0.00 30.24 32.55 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2roz h ASN 17 N 0.00 0.15 0.00 1.08 2.35 -0.11 -3.45 115.58 115.60 2roz h ASN 17 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2roz h ASN 17 Cb 0.00 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2roz h ASN 17 CO 0.00 -0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.23 2roz n GLY 18 N -1.63 1.77 3.64 2.83 0.00 -0.14 -4.84 105.19 106.82 2roz n GLY 18 Ca 0.40 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.79 -0.23 1.61 5.04 -1.26 -4.27 117.35 117.46 2roz s TYR 19 Ca 0.00 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 2roz s TYR 19 Cb 0.00 0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.82 2roz s TYR 19 CO 0.00 -0.39 -0.14 -1.21 -1.34 0.00 0.00 175.55 172.47 2roz s GLU 20 N 1.27 2.48 -0.04 4.97 2.02 -1.26 -5.08 118.70 123.04 2roz s GLU 20 Ca -0.07 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 2roz s GLU 20 Cb -0.04 -2.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 2roz s GLU 20 CO -0.15 -0.43 1.68 1.21 0.02 0.00 0.00 175.26 177.59 2roz s ASN 21 N 1.20 6.65 -0.02 -0.19 3.84 -1.26 -4.89 114.94 120.26 2roz s ASN 21 Ca -0.03 2.27 -0.22 0.00 0.21 0.00 0.00 52.86 55.09 2roz s ASN 21 Cb -0.17 -2.53 -0.22 0.00 -0.55 0.00 0.00 41.25 37.77 2roz s ASN 21 CO -0.08 -0.93 1.10 1.55 -2.79 0.00 0.00 177.10 175.94 2roz h PRO 22 N 9.59 0.28 -1.04 0.43 0.13 -2.03 -3.24 132.00 136.11 2roz h PRO 22 Ca -0.40 -0.28 0.40 0.00 -0.87 0.00 0.00 66.00 64.85 2roz h PRO 22 Cb 1.18 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.22 2roz h PRO 22 CO 0.95 0.96 0.59 0.00 -0.23 0.00 0.00 178.00 180.27 2roz h THR 23 N -0.29 0.08 -0.75 1.56 1.03 -2.07 0.28 112.91 112.75 2roz h THR 23 Ca -0.04 -0.03 0.12 0.00 -0.01 0.00 0.00 66.41 66.45 2roz h THR 23 Cb 1.07 -0.01 -0.13 0.00 -1.07 0.00 0.00 68.15 68.01 2roz h THR 23 CO 0.07 0.02 -0.38 0.22 -0.01 0.00 0.00 175.52 175.44 2roz h TYR 24 N 0.08 -1.08 -4.70 0.00 3.20 -1.97 -3.46 116.97 109.04 2roz h TYR 24 Ca 0.82 0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.78 2roz h TYR 24 Cb 2.17 0.58 0.00 0.00 1.54 0.00 0.00 36.73 41.02 2roz h TYR 24 CO -0.01 -0.40 -0.21 1.63 -1.64 0.00 0.00 178.16 177.53 2roz n LYS 25 N -5.44 -1.42 -2.41 1.82 5.02 0.98 -4.90 118.16 111.82 2roz n LYS 25 Ca 0.06 1.50 -0.42 0.00 -2.02 0.00 0.00 58.31 57.43 2roz n LYS 25 Cb 0.37 -4.60 -0.02 0.00 -0.02 0.00 0.00 35.03 30.75 2roz n LYS 25 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2roz s PHE 26 N -2.53 2.39 0.09 2.13 5.36 -1.26 -4.94 117.98 119.21 2roz s PHE 26 Ca 0.10 0.55 -0.30 0.00 -0.96 0.00 0.00 56.93 56.32 2roz s PHE 26 Cb -0.03 -4.39 -0.16 0.00 -0.34 0.00 0.00 43.02 38.10 2roz s PHE 26 CO 0.56 -1.88 0.70 1.19 -1.46 0.00 0.00 175.22 174.33 2roz n PHE 27 N 9.14 0.07 -1.27 10.12 3.72 -1.26 -4.49 117.46 133.48 2roz n PHE 27 Ca 0.13 0.89 0.13 0.00 -0.05 0.00 0.00 57.45 58.55 2roz n PHE 27 Cb 0.49 -1.78 -0.07 0.00 -0.94 0.00 0.00 39.48 37.18 2roz n PHE 27 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2roz n GLU 28 N 1.10 -3.01 -2.22 -1.08 4.71 -1.26 -5.01 120.64 113.86 2roz n GLU 28 Ca 0.17 2.45 -0.04 0.00 -0.01 0.00 0.00 57.16 59.73 2roz n GLU 28 Cb 0.14 -3.41 -0.03 0.00 -1.01 0.00 0.00 31.44 27.13 2roz n GLU 28 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2roz n GLN 29 N -3.80 -3.19 -3.23 3.49 7.27 -1.26 -4.94 117.38 111.72 2roz n GLN 29 Ca -0.07 2.55 -0.45 0.00 0.07 0.00 0.00 57.00 59.10 2roz n GLN 29 Cb 0.57 -3.76 -0.06 0.00 2.41 0.00 0.00 30.24 29.41 2roz n GLN 29 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 2roz s MET 30 N -0.80 3.04 0.24 3.69 -1.94 -1.26 -4.89 119.30 117.38 2roz s MET 30 Ca -0.19 -1.30 -0.27 0.00 -1.71 0.00 0.00 55.69 52.22 2roz s MET 30 Cb 0.01 -4.20 -0.16 0.00 2.01 0.00 0.00 34.83 32.49 2roz s MET 30 CO 0.51 -1.29 0.58 1.04 -0.01 0.00 0.00 175.02 175.85 2roz n GLN 31 N 5.79 0.28 0.00 2.03 1.13 -1.26 -5.26 117.38 120.09 2roz n GLN 31 Ca -0.10 0.10 0.12 0.00 -1.94 0.00 0.00 57.00 55.17 2roz n GLN 31 Cb 0.43 -1.18 0.70 0.00 0.11 0.00 0.00 30.24 30.30 2roz n GLN 31 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89