#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8p s PRO 2 N 0.00 3.43 -0.19 -0.72 0.04 -1.26 -4.77 135.00 131.53 1f8p s PRO 2 Ca 0.00 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.21 1f8p s PRO 2 Cb 0.00 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.42 1f8p s PRO 2 CO 0.00 -1.78 -0.32 0.43 0.04 0.00 0.00 177.00 175.37 1f8p n SER 3 N 8.88 1.92 0.00 6.66 7.64 -1.26 -5.08 113.62 132.39 1f8p n SER 3 Ca 0.10 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1f8p n SER 3 Cb 0.49 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1f8p n SER 3 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1f8p n LYS 4 N -4.45 0.00 -2.27 1.43 4.76 -1.26 -5.04 118.16 111.32 1f8p n LYS 4 Ca -0.19 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.91 1f8p n LYS 4 Cb 0.54 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.69 1f8p n LYS 4 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1f8p n PRO 5 N 0.00 2.25 -3.41 1.97 -0.04 -1.26 -4.85 135.00 129.67 1f8p n PRO 5 Ca 0.00 -2.80 -0.45 0.00 -0.04 0.00 0.00 63.50 60.21 1f8p n PRO 5 Cb 0.00 -3.64 -0.04 0.00 -0.04 0.00 0.00 33.50 29.78 1f8p n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1f8p s ASP 6 N 5.55 6.40 -0.24 3.54 2.15 -1.26 -5.01 116.67 127.80 1f8p s ASP 6 Ca 0.62 -2.64 -0.32 0.00 0.43 0.00 0.00 52.55 50.65 1f8p s ASP 6 Cb 0.01 -2.14 0.16 0.00 -0.30 0.00 0.00 42.92 40.66 1f8p s ASP 6 CO 0.11 -0.56 1.26 0.21 -0.17 0.00 0.00 175.17 176.03 1f8p s ASN 7 N 1.99 -0.11 -0.10 -0.34 2.47 -1.26 -4.89 114.94 112.70 1f8p s ASN 7 Ca 0.16 0.08 -0.26 0.00 0.42 0.00 0.00 52.86 53.26 1f8p s ASN 7 Cb -0.14 0.10 -0.27 0.00 -1.45 0.00 0.00 41.25 39.50 1f8p s ASN 7 CO -0.07 -0.14 0.86 1.55 -3.72 0.00 0.00 177.10 175.59 1f8p h PRO 8 N 2.11 0.10 0.00 0.43 0.13 -1.95 -3.45 132.00 129.37 1f8p h PRO 8 Ca -0.09 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f8p h PRO 8 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1f8p h PRO 8 CO 0.23 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 1f8p n GLY 9 N 1.48 0.87 2.63 1.56 0.00 -1.26 -5.02 105.19 105.44 1f8p n GLY 9 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1f8p n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f8p s GLU 10 N 0.11 1.44 0.00 1.61 2.02 -1.26 -4.94 118.70 117.68 1f8p s GLU 10 Ca 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 54.97 52.59 1f8p s GLU 10 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1f8p s GLU 10 CO 0.00 -1.29 0.00 -3.47 0.02 0.00 0.00 175.26 170.52 1f8p n ASP 11 N 2.83 0.00 -3.61 -0.19 -0.08 -1.26 -4.41 116.55 109.83 1f8p n ASP 11 Ca 0.20 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.44 1f8p n ASP 11 Cb 0.40 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.83 1f8p n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f8p s ALA 12 N 0.00 -2.08 0.29 -1.67 0.00 -1.26 -4.95 121.76 112.08 1f8p s ALA 12 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 1f8p s ALA 12 Cb 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.23 1f8p s ALA 12 CO 0.00 -0.40 1.15 -1.25 0.00 0.00 0.00 175.76 175.25 1f8p s PRO 13 N -1.62 4.58 0.00 0.00 0.04 -1.26 -3.00 135.00 133.73 1f8p s PRO 13 Ca 0.07 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1f8p s PRO 13 Cb -0.01 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1f8p s PRO 13 CO -0.05 0.12 0.00 0.00 0.04 0.00 0.00 177.00 177.11 1f8p n ALA 14 N 1.16 0.00 -0.34 8.56 0.00 -1.26 -4.57 120.51 124.05 1f8p n ALA 14 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1f8p n ALA 14 Cb 0.44 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.23 1f8p n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1f8p h GLU 15 N 0.00 0.61 0.67 0.00 4.81 -1.94 0.33 114.58 119.06 1f8p h GLU 15 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1f8p h GLU 15 Cb 0.00 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1f8p h GLU 15 CO 0.00 0.40 -0.32 0.22 -0.73 0.00 0.00 179.01 178.58 1f8p h ASP 16 N 0.63 -0.76 -0.95 1.04 3.58 -1.74 -3.09 116.42 115.14 1f8p h ASP 16 Ca 0.59 -0.00 0.15 0.00 0.42 0.00 0.00 57.03 58.19 1f8p h ASP 16 Cb 1.03 0.20 -0.10 0.00 1.72 0.00 0.00 39.33 42.18 1f8p h ASP 16 CO -0.44 -0.48 0.56 0.25 -2.88 0.00 0.00 179.24 176.25 1f8p h LEU 17 N -1.00 0.74 -1.43 2.28 5.85 -1.44 -0.10 115.31 120.20 1f8p h LEU 17 Ca -0.09 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1f8p h LEU 17 Cb 0.72 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1f8p h LEU 17 CO 0.15 0.32 0.54 0.00 -0.34 0.00 0.00 178.44 179.11 1f8p h ALA 18 N 1.58 1.96 0.73 1.25 0.00 -0.36 0.52 119.26 124.94 1f8p h ALA 18 Ca 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 1f8p h ALA 18 Cb 0.69 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1f8p h ALA 18 CO -0.34 -0.17 -0.35 -0.09 0.00 0.00 0.00 179.25 178.29 1f8p h ARG 19 N 0.57 -0.95 -0.57 0.00 1.12 -0.93 -2.87 114.38 110.75 1f8p h ARG 19 Ca 0.40 0.06 0.16 0.00 -1.11 0.00 0.00 59.98 59.50 1f8p h ARG 19 Cb 0.76 0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.91 1f8p h ARG 19 CO -0.16 -0.63 0.43 -0.92 -3.11 0.00 0.00 179.97 175.58 1f8p h TYR 20 N -1.08 0.00 -0.46 2.20 3.20 -1.12 -0.70 116.97 119.01 1f8p h TYR 20 Ca -0.10 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.83 1f8p h TYR 20 Cb 0.75 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1f8p h TYR 20 CO 0.04 0.00 0.17 -0.92 -1.64 0.00 0.00 178.16 175.81 1f8p h TYR 21 N 0.00 0.30 -0.50 -3.82 5.03 0.21 -0.65 116.97 117.54 1f8p h TYR 21 Ca 0.27 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.64 1f8p h TYR 21 Cb 1.13 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.30 1f8p h TYR 21 CO 0.00 0.11 0.26 1.03 -1.32 0.00 0.00 178.16 178.24 1f8p h SER 22 N 0.35 0.37 -0.36 -2.11 0.87 -1.00 0.36 113.55 112.03 1f8p h SER 22 Ca 0.22 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1f8p h SER 22 Cb 0.21 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1f8p h SER 22 CO -0.22 0.26 0.06 0.00 -0.53 0.00 0.00 176.83 176.41 1f8p h ALA 23 N 1.27 0.48 -0.70 6.23 0.00 -1.58 -1.64 119.26 123.33 1f8p h ALA 23 Ca 0.22 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1f8p h ALA 23 Cb 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1f8p h ALA 23 CO -0.15 0.18 0.30 -0.07 0.00 0.00 0.00 179.25 179.51 1f8p h LEU 24 N 0.44 0.33 0.01 0.00 3.38 -0.46 -1.43 115.31 117.58 1f8p h LEU 24 Ca 0.11 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1f8p h LEU 24 Cb 0.35 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1f8p h LEU 24 CO 0.01 0.17 -0.19 -0.09 0.09 0.00 0.00 178.44 178.43 1f8p h ARG 25 N 0.49 -0.30 -0.59 1.13 2.43 0.16 0.57 114.38 118.27 1f8p h ARG 25 Ca 0.36 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.63 1f8p h ARG 25 Cb 0.46 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1f8p h ARG 25 CO -0.33 -0.20 0.24 1.25 -1.51 0.00 0.00 179.97 179.43 1f8p h HIS 26 N -0.31 0.43 0.00 2.20 2.76 -0.37 0.26 115.15 120.13 1f8p h HIS 26 Ca 0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1f8p h HIS 26 Cb 0.37 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1f8p h HIS 26 CO -0.23 0.14 0.00 0.66 -1.30 0.00 0.00 177.93 177.20 1f8p n TYR 27 N -4.96 0.00 -0.37 5.26 4.01 -0.63 -1.99 117.16 118.49 1f8p n TYR 27 Ca 0.08 0.00 0.28 0.00 -0.16 0.00 0.00 57.90 58.09 1f8p n TYR 27 Cb 0.23 -0.39 0.55 0.00 -0.31 0.00 0.00 39.34 39.42 1f8p n TYR 27 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1f8p h ILE 28 N 0.00 0.34 0.38 -0.72 2.04 0.37 0.42 117.51 120.35 1f8p h ILE 28 Ca 0.00 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1f8p h ILE 28 Cb 0.00 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1f8p h ILE 28 CO 0.00 0.05 -0.22 -1.13 0.00 0.00 0.00 178.15 176.85 1f8p h ASN 29 N 0.28 -0.55 -0.12 1.72 -1.24 -0.51 -0.84 115.58 114.33 1f8p h ASN 29 Ca 0.70 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.63 1f8p h ASN 29 Cb 1.90 0.16 0.00 0.00 0.73 0.00 0.00 38.32 41.12 1f8p h ASN 29 CO -0.40 -0.36 -0.38 0.17 -1.29 0.00 0.00 177.43 175.17 1f8p h LEU 30 N -0.57 0.53 -0.47 0.34 8.10 0.29 -2.30 115.31 121.23 1f8p h LEU 30 Ca -0.04 -0.61 0.07 0.00 0.11 0.00 0.00 57.88 57.41 1f8p h LEU 30 Cb 0.47 -0.16 -0.06 0.00 -0.44 0.00 0.00 40.66 40.47 1f8p h LEU 30 CO 0.05 1.05 0.12 -0.29 -4.11 0.00 0.00 178.44 175.26 1f8p h ILE 31 N 0.05 0.78 -0.48 0.15 -0.00 -0.58 -0.60 117.51 116.82 1f8p h ILE 31 Ca -0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 64.86 64.73 1f8p h ILE 31 Cb 1.00 0.48 -0.02 0.00 -0.00 0.00 0.00 36.82 38.28 1f8p h ILE 31 CO 0.08 0.05 0.22 0.71 -0.00 0.00 0.00 178.15 179.21 1f8p h THR 32 N 0.27 1.20 -0.72 2.19 1.35 -1.18 -0.64 112.91 115.38 1f8p h THR 32 Ca 0.23 -0.58 0.13 0.00 -0.55 0.00 0.00 66.41 65.64 1f8p h THR 32 Cb 0.28 0.68 -0.13 0.00 -1.73 0.00 0.00 68.15 67.26 1f8p h THR 32 CO -0.28 0.22 -0.23 -1.14 -0.25 0.00 0.00 175.52 173.85 1f8p n ARG 33 N -4.60 -0.11 -0.01 4.72 3.00 -0.24 0.71 116.66 120.12 1f8p n ARG 33 Ca 0.02 1.11 -0.01 0.00 -0.00 0.00 0.00 57.85 58.97 1f8p n ARG 33 Cb 0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 32.46 30.93 1f8p n ARG 33 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1f8p h GLN 34 N 0.00 -0.05 0.60 -0.14 4.20 -1.43 -3.42 115.11 114.88 1f8p h GLN 34 Ca 0.30 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1f8p h GLN 34 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1f8p h GLN 34 CO -0.73 -0.03 -0.39 -0.09 -0.67 0.00 0.00 178.83 176.91 1f8p h ARG 35 N -0.75 -0.90 -0.01 1.46 2.43 -0.07 -3.52 114.38 113.01 1f8p h ARG 35 Ca -0.01 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1f8p h ARG 35 Cb 0.04 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1f8p h ARG 35 CO 0.01 -0.60 0.00 0.66 -1.51 0.00 0.00 179.97 178.53