#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a45 n ALA 3 N 0.00 0.15 0.00 1.55 0.00 -1.26 -4.99 120.51 115.96 2a45 n ALA 3 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2a45 n ALA 3 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2a45 n ALA 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2a45 n THR 4 N -0.20 0.00 0.00 0.00 -2.24 -1.26 -5.06 114.28 105.53 2a45 n THR 4 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a45 n THR 4 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2a45 n THR 4 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2a45 n ARG 5 N -1.07 0.00 0.07 -0.78 3.00 -1.26 -4.97 116.66 111.64 2a45 n ARG 5 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 2a45 n ARG 5 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.72 2a45 n ARG 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2a45 n ASP 6 N 0.00 0.24 0.02 6.15 9.92 -1.26 -1.47 116.55 130.15 2a45 n ASP 6 Ca 0.00 0.61 -0.22 0.00 -0.53 0.00 0.00 54.79 54.65 2a45 n ASP 6 Cb 0.00 -0.64 -0.14 0.00 -0.64 0.00 0.00 41.12 39.70 2a45 n ASP 6 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2a45 h ASN 7 N 0.00 0.43 -0.77 -2.24 7.08 -1.94 -3.48 115.58 114.65 2a45 h ASN 7 Ca 0.00 -0.89 -0.60 0.00 -3.08 0.00 0.00 56.30 51.73 2a45 h ASN 7 Cb 0.01 -0.14 -0.08 0.00 -2.08 0.00 0.00 38.32 36.03 2a45 h ASN 7 CO 0.00 1.74 -0.41 0.00 -2.08 0.00 0.00 177.43 176.68 2a45 n ILE 10 N -0.19 0.19 0.00 0.00 -6.64 -1.26 -5.14 119.36 106.31 2a45 n ILE 10 Ca 0.00 0.06 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 2a45 n ILE 10 Cb 0.22 -0.92 0.00 0.00 -1.44 0.00 0.00 39.64 37.50 2a45 n ILE 10 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2a45 n LEU 11 N -3.00 0.00 -3.40 7.28 7.94 -1.26 -4.99 117.00 119.57 2a45 n LEU 11 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2a45 n LEU 11 Cb 0.13 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.98 2a45 n LEU 11 CO 0.00 0.00 -0.10 -0.62 -1.11 0.00 0.00 177.39 175.56 2a45 s ASP 12 N 0.00 0.56 0.44 1.96 3.68 -1.26 -5.02 116.67 117.03 2a45 s ASP 12 Ca 0.00 0.11 0.11 0.00 2.13 0.00 0.00 52.55 54.90 2a45 s ASP 12 Cb 0.00 0.90 0.99 0.00 -1.45 0.00 0.00 42.92 43.36 2a45 s ASP 12 CO 0.00 -0.31 2.06 -0.33 0.13 0.00 0.00 175.17 176.73 2a45 h GLU 13 N 8.22 0.39 -0.10 4.34 5.08 -1.94 -2.18 114.58 128.39 2a45 h GLU 13 Ca -0.19 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2a45 h GLU 13 Cb 1.15 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2a45 h GLU 13 CO 0.27 0.26 0.41 0.00 -1.00 0.00 0.00 179.01 178.94 2a45 h ARG 14 N 0.40 0.00 -0.53 2.33 3.08 -2.03 0.46 114.38 118.08 2a45 h ARG 14 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2a45 h ARG 14 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2a45 h ARG 14 CO -0.03 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.06 2a45 n PHE 15 N -3.05 1.26 -2.47 3.04 3.01 -0.82 -5.08 117.46 113.35 2a45 n PHE 15 Ca 0.00 -0.64 0.08 0.00 1.01 0.00 0.00 57.45 57.90 2a45 n PHE 15 Cb 0.48 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.70 2a45 n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2a45 n GLY 16 N 0.74 -1.74 3.48 1.37 0.00 0.16 -4.89 105.19 104.31 2a45 n GLY 16 Ca 0.23 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 2a45 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a45 n SER 17 N -2.59 -1.00 -4.84 1.61 2.88 -1.26 -4.78 113.62 103.64 2a45 n SER 17 Ca 0.00 0.66 -0.25 0.00 -1.33 0.00 0.00 58.87 57.96 2a45 n SER 17 Cb 0.27 -1.21 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 2a45 n SER 17 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2a45 s TYR 18 N -1.81 3.21 0.20 0.66 1.51 -1.26 -5.13 117.35 114.73 2a45 s TYR 18 Ca 0.68 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.59 2a45 s TYR 18 Cb -0.39 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 2a45 s TYR 18 CO 0.56 0.51 0.42 0.00 -1.11 0.00 0.00 175.55 175.93 2a45 n PRO 20 N -0.31 1.26 -3.95 0.00 -0.02 -1.26 -5.06 135.00 125.67 2a45 n PRO 20 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 2a45 n PRO 20 Cb 0.62 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.96 2a45 n PRO 20 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a45 s THR 21 N -0.08 0.14 0.56 3.45 -4.23 -1.26 -5.02 115.64 109.20 2a45 s THR 21 Ca 0.00 -0.01 0.32 0.00 -1.18 0.00 0.00 61.69 60.81 2a45 s THR 21 Cb 0.00 -0.16 0.46 0.00 1.34 0.00 0.00 72.50 74.14 2a45 s THR 21 CO 0.00 0.07 1.83 0.71 -0.54 0.00 0.00 174.62 176.69 2a45 h THR 22 N 5.48 0.41 0.55 3.99 1.35 -1.98 1.23 112.91 123.95 2a45 h THR 22 Ca -0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 2a45 h THR 22 Cb 1.18 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2a45 h THR 22 CO 0.50 0.00 -0.39 0.00 -0.25 0.00 0.00 175.52 175.37 2a45 h GLY 24 N -0.92 1.78 0.40 0.00 0.00 0.11 -1.44 103.07 103.00 2a45 h GLY 24 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2a45 h GLY 24 CO 0.03 -0.21 -0.02 -2.22 0.00 0.00 0.00 176.54 174.12 2a45 h ILE 25 N 0.57 1.29 -0.89 2.60 1.08 0.00 -2.55 117.51 119.62 2a45 h ILE 25 Ca 0.60 -1.31 0.14 0.00 -0.39 0.00 0.00 64.86 63.90 2a45 h ILE 25 Cb 1.10 2.13 -0.15 0.00 -3.07 0.00 0.00 36.82 36.84 2a45 h ILE 25 CO -0.47 0.32 -0.39 0.00 -0.69 0.00 0.00 178.15 176.92 2a45 h ALA 26 N 0.20 0.05 -0.90 1.87 0.00 0.19 1.38 119.26 122.06 2a45 h ALA 26 Ca -0.01 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2a45 h ALA 26 Cb 0.58 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 2a45 h ALA 26 CO 0.01 -0.66 0.54 -0.44 0.00 0.00 0.00 179.25 178.70 2a45 h ASP 27 N -0.05 0.81 0.57 0.00 3.45 -1.27 0.25 116.42 120.18 2a45 h ASP 27 Ca 0.30 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.72 2a45 h ASP 27 Cb 0.58 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2a45 h ASP 27 CO -0.90 0.47 -0.38 0.15 -1.57 0.00 0.00 179.24 177.00 2a45 h PHE 28 N 0.91 0.00 0.00 4.55 3.57 0.20 -2.21 116.94 123.97 2a45 h PHE 28 Ca 0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2a45 h PHE 28 Cb 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2a45 h PHE 28 CO -0.03 0.38 0.00 -0.11 -2.23 0.00 0.00 178.31 176.32 2a45 n LEU 29 N -3.80 0.30 -0.29 0.59 7.94 0.14 -1.04 117.00 120.85 2a45 n LEU 29 Ca -0.01 0.63 -0.01 0.00 -1.11 0.00 0.00 56.01 55.51 2a45 n LEU 29 Cb 0.45 -0.41 0.05 0.00 0.53 0.00 0.00 43.42 44.04 2a45 n LEU 29 CO 0.38 -0.41 0.63 0.28 -1.11 0.00 0.00 177.39 177.16 2a45 h SER 30 N 0.00 -1.14 0.00 1.96 0.02 -1.28 2.36 113.55 115.47 2a45 h SER 30 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2a45 h SER 30 Cb 0.00 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2a45 h SER 30 CO 0.00 -0.29 0.00 0.35 -1.14 0.00 0.00 176.83 175.75 2a45 n THR 31 N -5.48 0.00 -0.18 -2.27 -2.24 -0.83 -1.32 114.28 101.96 2a45 n THR 31 Ca 0.08 1.02 -0.02 0.00 -2.27 0.00 0.00 64.05 62.86 2a45 n THR 31 Cb 0.39 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 66.68 2a45 n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a45 n TYR 32 N -0.64 -0.07 -0.20 4.78 9.36 -0.20 0.18 117.16 130.36 2a45 n TYR 32 Ca 0.00 0.54 -0.00 0.00 3.32 0.00 0.00 57.90 61.76 2a45 n TYR 32 Cb 0.00 -0.61 0.08 0.00 -0.63 0.00 0.00 39.34 38.17 2a45 n TYR 32 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 2a45 h GLN 33 N 0.00 0.04 -0.10 2.98 -0.00 0.42 -2.60 115.11 115.85 2a45 h GLN 33 Ca 0.12 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2a45 h GLN 33 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.70 2a45 h GLN 33 CO -0.43 0.03 0.05 1.15 0.00 0.00 0.00 178.83 179.63 2a45 h THR 34 N 0.04 1.11 -0.95 2.39 2.02 0.11 -2.59 112.91 115.03 2a45 h THR 34 Ca 0.31 -0.31 0.30 0.00 0.77 0.00 0.00 66.41 67.48 2a45 h THR 34 Cb 0.48 1.14 -0.16 0.00 -1.74 0.00 0.00 68.15 67.87 2a45 h THR 34 CO -0.59 0.09 0.32 0.11 0.37 0.00 0.00 175.52 175.83 2a45 h LYS 35 N 0.04 0.14 0.00 6.66 6.56 -1.31 0.22 116.57 128.88 2a45 h LYS 35 Ca 0.03 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2a45 h LYS 35 Cb 0.11 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2a45 h LYS 35 CO -0.00 0.09 0.00 0.28 -2.06 0.00 0.00 179.45 177.76 2a45 n VAL 36 N -5.26 0.00 -0.37 0.50 0.31 -0.99 -2.77 118.33 109.76 2a45 n VAL 36 Ca 0.27 1.33 0.01 0.00 -0.01 0.00 0.00 64.34 65.95 2a45 n VAL 36 Cb 0.89 -2.26 0.07 0.00 -0.91 0.00 0.00 33.84 31.63 2a45 n VAL 36 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2a45 h ASP 37 N 0.00 -1.27 -0.78 4.52 3.58 -0.95 0.18 116.42 121.70 2a45 h ASP 37 Ca 0.00 0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.82 2a45 h ASP 37 Cb 0.00 0.71 -0.09 0.00 1.72 0.00 0.00 39.33 41.66 2a45 h ASP 37 CO 0.00 -0.30 -0.46 1.17 -2.88 0.00 0.00 179.24 176.77 2a45 n LYS 38 N -5.52 -0.34 -0.23 0.28 4.81 0.63 0.22 118.16 118.00 2a45 n LYS 38 Ca 0.12 1.18 -0.06 0.00 -0.87 0.00 0.00 58.31 58.68 2a45 n LYS 38 Cb 0.43 -1.74 0.04 0.00 0.02 0.00 0.00 35.03 33.78 2a45 n LYS 38 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2a45 h ASP 39 N 0.00 0.81 0.00 3.14 3.32 -0.55 -2.21 116.42 120.94 2a45 h ASP 39 Ca 0.13 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2a45 h ASP 39 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2a45 h ASP 39 CO -0.74 0.69 0.00 0.18 -1.72 0.00 0.00 179.24 177.65 2a45 n LEU 40 N -4.52 0.00 0.00 1.55 4.77 0.56 -1.04 117.00 118.32 2a45 n LEU 40 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2a45 n LEU 40 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2a45 n LEU 40 CO 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 2a45 n GLN 41 N -0.22 0.00 0.39 3.23 1.13 0.59 0.11 117.38 122.61 2a45 n GLN 41 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 2a45 n GLN 41 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 2a45 n GLN 41 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2a45 h SER 42 N 0.00 -1.04 -0.73 1.08 0.87 -1.33 -2.54 113.55 109.86 2a45 h SER 42 Ca 0.00 0.05 0.16 0.00 -1.23 0.00 0.00 61.79 60.78 2a45 h SER 42 Cb 0.00 0.30 -0.12 0.00 -0.44 0.00 0.00 62.40 62.14 2a45 h SER 42 CO 0.00 -0.66 0.10 0.25 -0.53 0.00 0.00 176.83 176.00 2a45 h LEU 43 N -1.06 -0.14 -1.61 2.23 6.46 0.25 0.65 115.31 122.09 2a45 h LEU 43 Ca -0.10 0.16 0.45 0.00 -0.12 0.00 0.00 57.88 58.28 2a45 h LEU 43 Cb 0.84 0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 40.92 2a45 h LEU 43 CO 0.11 -0.10 0.98 -0.33 -0.62 0.00 0.00 178.44 178.49 2a45 h GLU 44 N 0.19 0.07 0.00 1.25 5.08 -0.48 -3.51 114.58 117.18 2a45 h GLU 44 Ca 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2a45 h GLU 44 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2a45 h GLU 44 CO -0.56 0.04 0.00 -0.25 -1.00 0.00 0.00 179.01 177.24