#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s THR 2 N 0.00 2.64 0.12 9.51 -4.23 -1.26 -5.14 115.64 117.29 3abk s THR 2 Ca 0.00 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 3abk s THR 2 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 3abk s THR 2 CO 0.00 0.58 -0.09 0.00 -0.54 0.00 0.00 174.62 174.57 3abk s ALA 3 N -0.49 1.23 0.78 3.99 0.00 -1.26 -5.15 121.76 120.86 3abk s ALA 3 Ca 0.06 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 3abk s ALA 3 Cb -0.12 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.14 3abk s ALA 3 CO 0.01 -0.15 1.02 1.63 0.00 0.00 0.00 175.76 178.27 3abk n LYS 4 N -0.09 0.31 -1.50 0.00 5.02 -1.26 -5.00 118.16 115.64 3abk n LYS 4 Ca -0.11 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 3abk n LYS 4 Cb 0.60 -2.28 0.08 0.00 -0.02 0.00 0.00 35.03 33.41 3abk n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3abk n PRO 5 N -2.44 0.74 -1.68 1.97 -0.02 -1.26 -4.86 135.00 127.45 3abk n PRO 5 Ca 0.13 0.31 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 3abk n PRO 5 Cb 0.50 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3abk n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3abk n ALA 6 N -2.25 0.72 -0.01 3.55 0.00 -1.26 -4.81 120.51 116.45 3abk n ALA 6 Ca 0.14 0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.96 3abk n ALA 6 Cb 0.49 -2.43 0.43 0.00 0.00 0.00 0.00 19.45 17.94 3abk n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3abk h LYS 7 N 8.37 0.52 -2.17 0.00 1.57 -2.04 -3.31 116.57 119.50 3abk h LYS 7 Ca -0.48 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 57.72 3abk h LYS 7 Cb 1.28 -0.12 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 3abk h LYS 7 CO 0.94 0.34 -0.98 0.25 -0.57 0.00 0.00 179.45 179.43 3abk n THR 8 N -4.48 -1.02 -0.69 -0.16 -2.24 -1.26 -5.12 114.28 99.32 3abk n THR 8 Ca 0.04 -3.41 -0.31 0.00 -2.27 0.00 0.00 64.05 58.10 3abk n THR 8 Cb 0.09 -1.54 0.17 0.00 -2.10 0.00 0.00 70.33 66.95 3abk n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3abk n PRO 9 N 2.48 -0.44 -3.92 -0.78 -0.02 -1.25 -4.97 135.00 126.09 3abk n PRO 9 Ca 0.27 -0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 3abk n PRO 9 Cb 0.50 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 3abk n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3abk s THR 10 N -2.61 1.95 0.87 3.45 2.01 -1.26 -5.11 115.64 114.95 3abk s THR 10 Ca 0.67 -2.31 -0.10 0.00 0.31 0.00 0.00 61.69 60.25 3abk s THR 10 Cb -0.23 -2.43 0.12 0.00 0.01 0.00 0.00 72.50 69.97 3abk s THR 10 CO 0.58 -0.67 1.13 -0.94 -0.69 0.00 0.00 174.62 174.04 3abk s SER 11 N 0.82 3.37 0.52 3.53 1.04 -1.26 -4.61 113.70 117.12 3abk s SER 11 Ca 0.12 2.10 0.35 0.00 0.48 0.00 0.00 55.95 58.99 3abk s SER 11 Cb -0.20 -2.56 1.50 0.00 0.10 0.00 0.00 66.02 64.86 3abk s SER 11 CO -0.10 -2.80 1.79 -0.65 0.98 0.00 0.00 173.24 172.47 3abk h PRO 12 N -1.64 0.05 0.02 4.02 0.11 -1.99 0.43 132.00 132.99 3abk h PRO 12 Ca -0.43 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3abk h PRO 12 Cb 1.26 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3abk h PRO 12 CO 0.44 0.03 -0.34 -0.22 -0.21 0.00 0.00 178.00 177.70 3abk h LYS 13 N 0.05 0.20 -0.99 1.05 3.11 -1.99 0.08 116.57 118.08 3abk h LYS 13 Ca 0.58 -0.24 0.02 0.00 -2.81 0.00 0.00 60.65 58.20 3abk h LYS 13 Cb 2.20 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 33.45 3abk h LYS 13 CO -0.05 0.99 0.65 0.93 -2.81 0.00 0.00 179.45 179.17 3abk h GLU 14 N -0.48 1.27 -0.55 1.90 5.08 -1.52 -1.50 114.58 118.78 3abk h GLU 14 Ca -0.05 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3abk h GLU 14 Cb 1.13 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 3abk h GLU 14 CO 0.07 0.84 0.18 1.96 -1.00 0.00 0.00 179.01 181.05 3abk h GLN 15 N 1.31 0.82 -0.36 2.33 4.20 -0.82 -0.34 115.11 122.25 3abk h GLN 15 Ca 0.38 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 3abk h GLN 15 Cb -0.10 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3abk h GLN 15 CO -0.10 0.71 -0.04 0.00 -0.67 0.00 0.00 178.83 178.73 3abk h ALA 16 N 1.39 1.26 0.09 3.87 0.00 -0.34 0.11 119.26 125.65 3abk h ALA 16 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3abk h ALA 16 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3abk h ALA 16 CO -0.01 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.51 3abk h ILE 17 N 0.55 1.15 -0.43 0.00 2.04 -0.54 -1.15 117.51 119.14 3abk h ILE 17 Ca 0.11 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.99 3abk h ILE 17 Cb 0.41 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 3abk h ILE 17 CO 0.02 0.25 -0.04 1.23 0.00 0.00 0.00 178.15 179.61 3abk h GLY 18 N -0.63 0.39 0.98 5.37 0.00 -0.96 0.92 103.07 109.13 3abk h GLY 18 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3abk h GLY 18 CO 0.02 -0.13 0.13 -2.00 0.00 0.00 0.00 176.54 174.56 3abk h LEU 19 N 0.06 0.25 -0.24 3.11 5.85 -0.81 -1.54 115.31 121.99 3abk h LEU 19 Ca 0.21 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3abk h LEU 19 Cb 0.31 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3abk h LEU 19 CO -0.39 0.21 -0.01 0.28 -0.34 0.00 0.00 178.44 178.19 3abk h SER 20 N 0.26 -0.11 -0.47 1.25 0.02 -0.71 -0.50 113.55 113.29 3abk h SER 20 Ca 0.07 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3abk h SER 20 Cb 0.01 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3abk h SER 20 CO -0.01 -0.03 -0.04 0.58 -1.14 0.00 0.00 176.83 176.19 3abk h VAL 21 N 0.06 1.26 0.64 2.27 2.07 -0.78 -1.70 116.25 120.07 3abk h VAL 21 Ca 0.11 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3abk h VAL 21 Cb 0.15 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3abk h VAL 21 CO -0.20 0.40 -0.31 0.74 0.02 0.00 0.00 177.57 178.23 3abk h THR 22 N 0.84 0.37 -0.67 2.57 2.02 -0.81 -1.40 112.91 115.83 3abk h THR 22 Ca 0.15 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.42 3abk h THR 22 Cb 0.55 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 67.25 3abk h THR 22 CO 0.03 0.00 0.27 -0.26 0.37 0.00 0.00 175.52 175.94 3abk h PHE 23 N -0.88 0.47 -0.20 3.16 0.05 -1.06 -2.46 116.94 116.03 3abk h PHE 23 Ca -0.09 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.66 3abk h PHE 23 Cb 0.67 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 3abk h PHE 23 CO -0.03 0.12 -0.20 -0.07 -0.18 0.00 0.00 178.31 177.95 3abk h LEU 24 N 0.46 0.33 -0.87 1.54 3.38 -1.02 0.11 115.31 119.25 3abk h LEU 24 Ca 0.34 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3abk h LEU 24 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3abk h LEU 24 CO -0.33 0.55 -0.23 0.77 0.09 0.00 0.00 178.44 179.30 3abk h SER 25 N 0.31 0.59 -0.05 -0.43 4.64 -0.77 -1.85 113.55 115.98 3abk h SER 25 Ca 0.05 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3abk h SER 25 Cb 0.54 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3abk h SER 25 CO 0.04 0.81 -0.15 -0.26 -0.87 0.00 0.00 176.83 176.40 3abk h PHE 26 N 0.52 0.24 0.07 4.77 -1.00 -1.38 -3.41 116.94 116.76 3abk h PHE 26 Ca 0.08 -0.10 -0.25 0.00 2.81 0.00 0.00 57.97 60.51 3abk h PHE 26 Cb 0.67 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.19 3abk h PHE 26 CO 0.03 0.77 -1.09 -0.07 -1.61 0.00 0.00 178.31 176.33 3abk h LEU 27 N -0.35 0.49 0.25 1.54 3.38 -0.76 -3.36 115.31 116.50 3abk h LEU 27 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3abk h LEU 27 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3abk h LEU 27 CO 0.03 1.29 -0.12 -0.07 0.09 0.00 0.00 178.44 179.66 3abk h LEU 28 N 0.15 -0.29 0.10 1.67 3.38 -1.56 0.15 115.31 118.91 3abk h LEU 28 Ca -0.11 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3abk h LEU 28 Cb 1.77 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 3abk h LEU 28 CO 0.18 0.09 -0.17 -0.65 0.09 0.00 0.00 178.44 177.98 3abk h PRO 29 N -0.71 -0.32 0.34 1.13 0.11 -1.78 -0.24 132.00 130.54 3abk h PRO 29 Ca -0.03 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3abk h PRO 29 Cb 0.48 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3abk h PRO 29 CO 0.06 -0.22 -0.36 0.00 -0.21 0.00 0.00 178.00 177.28 3abk h ALA 30 N 0.50 -0.76 -0.94 -0.75 0.00 -1.71 0.48 119.26 116.09 3abk h ALA 30 Ca 0.02 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.09 3abk h ALA 30 Cb 0.35 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 18.49 3abk h ALA 30 CO -0.09 -0.96 0.19 0.78 0.00 0.00 0.00 179.25 179.16 3abk h GLY 31 N -0.73 1.43 0.87 0.00 0.00 -0.85 0.33 103.07 104.12 3abk h GLY 31 Ca -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3abk h GLY 31 CO -0.07 -0.49 -0.01 -0.25 0.00 0.00 0.00 176.54 175.73 3abk h TRP 32 N 0.10 0.55 -0.36 5.60 7.01 -0.10 0.10 115.95 128.86 3abk h TRP 32 Ca 0.61 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.51 3abk h TRP 32 Cb 1.31 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 3abk h TRP 32 CO -0.33 0.66 0.22 0.28 -2.79 0.00 0.00 178.44 176.48 3abk h VAL 33 N 0.29 1.11 -0.10 2.65 2.07 0.99 -2.42 116.25 120.83 3abk h VAL 33 Ca 0.08 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 3abk h VAL 33 Cb 0.44 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3abk h VAL 33 CO 0.02 0.11 -0.63 -0.07 0.02 0.00 0.00 177.57 177.01 3abk h LEU 34 N 0.47 0.44 -1.27 2.57 4.07 -0.11 -2.26 115.31 119.22 3abk h LEU 34 Ca 0.13 -0.26 0.04 0.00 0.08 0.00 0.00 57.88 57.87 3abk h LEU 34 Cb -0.02 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 3abk h LEU 34 CO -0.03 0.96 0.51 0.22 -1.08 0.00 0.00 178.44 179.02 3abk h TYR 35 N 0.28 0.91 -0.56 1.13 3.20 -0.74 -2.88 116.97 118.31 3abk h TYR 35 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3abk h TYR 35 Cb 1.17 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3abk h TYR 35 CO 0.04 0.52 0.00 0.72 -1.64 0.00 0.00 178.16 177.80 3abk n HIS 36 N -4.45 1.25 -0.21 -3.82 8.25 -0.86 -4.55 115.22 110.83 3abk n HIS 36 Ca 0.10 -0.50 -0.06 0.00 -0.26 0.00 0.00 57.72 56.99 3abk n HIS 36 Cb 0.13 -0.21 0.03 0.00 1.12 0.00 0.00 29.99 31.07 3abk n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3abk h LEU 37 N 3.51 0.72 -1.52 2.41 3.38 -1.34 -2.25 115.31 120.22 3abk h LEU 37 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3abk h LEU 37 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3abk h LEU 37 CO 0.19 0.56 -0.24 -0.78 0.09 0.00 0.00 178.44 178.26 3abk h ASP 38 N 0.81 0.00 -0.98 -0.43 3.58 -1.85 -0.78 116.42 116.77 3abk h ASP 38 Ca 0.22 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.69 3abk h ASP 38 Cb -0.03 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 3abk h ASP 38 CO -0.04 0.24 0.64 0.78 -2.88 0.00 0.00 179.24 177.98 3abk h ASN 39 N 0.00 1.08 0.12 2.28 4.21 -1.74 -3.20 115.58 118.34 3abk h ASN 39 Ca -0.00 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3abk h ASN 39 Cb 0.52 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 3abk h ASN 39 CO 0.03 0.76 -0.06 1.88 -1.29 0.00 0.00 177.43 178.75 3abk h TYR 40 N 1.26 -0.15 0.00 1.19 0.99 -0.91 -3.18 116.97 116.17 3abk h TYR 40 Ca 0.38 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 3abk h TYR 40 Cb -0.05 0.05 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3abk h TYR 40 CO -0.00 0.28 0.00 1.63 -0.00 0.00 0.00 178.16 180.06 3abk n LYS 41 N -4.95 0.00 -1.74 4.88 5.02 -0.43 -2.14 118.16 118.79 3abk n LYS 41 Ca -0.09 0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 56.47 3abk n LYS 41 Cb 0.26 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3abk n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3abk n LYS 42 N -2.13 3.57 0.00 1.97 3.00 -1.21 -5.12 118.16 118.25 3abk n LYS 42 Ca 0.00 -2.91 0.11 0.00 -0.00 0.00 0.00 58.31 55.51 3abk n LYS 42 Cb 0.00 -2.40 0.09 0.00 0.00 0.00 0.00 35.03 32.71 3abk n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83