#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kix n LEU 2 N 0.00 0.00 0.01 -0.89 0.00 -1.26 -4.53 117.00 110.32 2kix n LEU 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 2kix n LEU 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 2kix n LEU 2 CO 0.00 0.00 0.67 -0.33 0.00 0.00 0.00 177.39 177.73 2kix h GLU 3 N 0.00 -0.03 0.00 1.96 5.08 -2.05 -2.02 114.58 117.51 2kix h GLU 3 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kix h GLU 3 Cb 0.00 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2kix h GLU 3 CO 0.00 0.35 -1.69 -0.35 -1.00 0.00 0.00 179.01 176.32 2kix n PRO 4 N -4.92 0.64 -0.05 2.33 -0.04 -1.26 -4.40 135.00 127.30 2kix n PRO 4 Ca -0.08 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 2kix n PRO 4 Cb 0.21 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2kix n PRO 4 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kix h PHE 5 N 0.00 0.21 -0.66 0.54 3.04 -1.85 -3.35 116.94 114.86 2kix h PHE 5 Ca -0.17 -0.15 0.13 0.00 3.98 0.00 0.00 57.97 61.75 2kix h PHE 5 Cb 1.48 -0.01 -0.13 0.00 2.56 0.00 0.00 35.95 39.86 2kix h PHE 5 CO 0.00 1.44 -0.21 0.37 -2.02 0.00 0.00 178.31 177.89 2kix h GLN 6 N -0.66 -0.04 0.00 1.11 5.75 -1.59 1.17 115.11 120.85 2kix h GLN 6 Ca -0.27 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 2kix h GLN 6 Cb 1.47 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.03 2kix h GLN 6 CO -0.05 -0.03 0.02 0.97 -2.65 0.00 0.00 178.83 177.10 2kix h ILE 7 N -0.04 0.00 0.00 2.39 2.10 -1.74 -2.04 117.51 118.18 2kix h ILE 7 Ca 0.31 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.22 2kix h ILE 7 Cb 0.52 0.69 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2kix h ILE 7 CO -0.70 0.00 -0.19 0.25 -1.08 0.00 0.00 178.15 176.43 2kix h LEU 8 N 0.00 0.00 -0.78 2.19 6.46 0.13 -2.56 115.31 120.75 2kix h LEU 8 Ca 0.00 -0.44 0.07 0.00 -0.12 0.00 0.00 57.88 57.39 2kix h LEU 8 Cb 0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 2kix h LEU 8 CO 0.00 0.83 0.46 0.77 -0.62 0.00 0.00 178.44 179.87 2kix h SER 9 N -1.00 0.68 0.36 1.25 4.64 -1.08 -2.36 113.55 116.04 2kix h SER 9 Ca -0.04 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2kix h SER 9 Cb 0.58 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2kix h SER 9 CO -0.02 0.42 -0.17 0.40 -0.87 0.00 0.00 176.83 176.59 2kix h ILE 10 N 0.81 0.66 -0.89 0.95 2.04 -1.51 -2.53 117.51 117.04 2kix h ILE 10 Ca 0.36 -0.25 0.17 0.00 1.00 0.00 0.00 64.86 66.14 2kix h ILE 10 Cb 0.24 0.79 -0.16 0.00 -0.74 0.00 0.00 36.82 36.95 2kix h ILE 10 CO -0.20 0.05 -0.26 0.28 0.00 0.00 0.00 178.15 178.02 2kix h SER 11 N -0.62 -0.96 -0.94 1.72 0.02 -1.00 0.68 113.55 112.45 2kix h SER 11 Ca -0.05 0.27 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2kix h SER 11 Cb 0.45 0.59 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 2kix h SER 11 CO 0.08 -0.30 0.60 -1.28 -1.14 0.00 0.00 176.83 174.79 2kix h SER 12 N -0.01 0.96 -0.99 3.07 0.87 -1.26 -1.59 113.55 114.59 2kix h SER 12 Ca 0.40 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 61.05 2kix h SER 12 Cb 0.64 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 2kix h SER 12 CO -0.91 0.62 0.64 0.15 -0.53 0.00 0.00 176.83 176.80 2kix h PHE 13 N 1.10 1.16 -0.21 2.24 3.57 0.78 0.44 116.94 126.03 2kix h PHE 13 Ca 0.40 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2kix h PHE 13 Cb 0.13 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2kix h PHE 13 CO -0.01 0.56 0.06 0.82 -2.23 0.00 0.00 178.31 177.51 2kix h ILE 14 N 1.10 1.19 -0.33 1.41 1.08 -0.61 -2.72 117.51 118.64 2kix h ILE 14 Ca 0.44 -0.59 -0.11 0.00 -0.39 0.00 0.00 64.86 64.21 2kix h ILE 14 Cb 0.27 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2kix h ILE 14 CO -0.19 0.19 -0.20 0.25 -0.69 0.00 0.00 178.15 177.50 2kix h LEU 15 N 0.16 0.75 -0.72 1.44 6.46 -1.04 -2.69 115.31 119.67 2kix h LEU 15 Ca 0.07 -0.43 0.16 0.00 -0.12 0.00 0.00 57.88 57.56 2kix h LEU 15 Cb 0.23 -0.21 -0.12 0.00 -0.73 0.00 0.00 40.66 39.83 2kix h LEU 15 CO -0.00 1.02 0.08 0.28 -0.62 0.00 0.00 178.44 179.19 2kix h SER 16 N 0.50 -0.19 -0.07 1.25 0.02 -0.03 0.38 113.55 115.41 2kix h SER 16 Ca 0.07 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2kix h SER 16 Cb 0.75 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 2kix h SER 16 CO 0.06 -0.12 -0.00 0.00 -1.14 0.00 0.00 176.83 175.63 2kix h ALA 17 N 1.65 0.09 -0.34 3.77 0.00 -1.40 -1.74 119.26 121.29 2kix h ALA 17 Ca 0.40 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2kix h ALA 17 Cb 0.70 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2kix h ALA 17 CO -0.58 -0.22 -0.36 1.25 0.00 0.00 0.00 179.25 179.34 2kix h LEU 18 N -0.18 -1.17 -1.10 0.00 7.12 -0.77 0.16 115.31 119.36 2kix h LEU 18 Ca 0.02 0.19 0.05 0.00 0.13 0.00 0.00 57.88 58.27 2kix h LEU 18 Cb 0.36 0.52 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 2kix h LEU 18 CO 0.00 -0.35 0.61 -0.74 -0.13 0.00 0.00 178.44 177.84 2kix h HIS 19 N -0.31 1.11 -0.52 1.25 2.76 -0.96 0.30 115.15 118.77 2kix h HIS 19 Ca 0.15 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2kix h HIS 19 Cb 0.56 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 2kix h HIS 19 CO -0.53 0.60 0.28 0.35 -1.30 0.00 0.00 177.93 177.33 2kix h PHE 20 N 1.11 0.52 0.00 5.26 3.57 0.19 0.44 116.94 128.02 2kix h PHE 20 Ca 0.39 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 2kix h PHE 20 Cb 0.13 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.72 2kix h PHE 20 CO -0.00 0.26 -0.26 0.82 -2.23 0.00 0.00 178.31 176.91 2kix h ILE 21 N 0.54 1.55 -0.85 1.41 1.08 -0.34 -2.46 117.51 118.44 2kix h ILE 21 Ca 0.23 -1.96 0.06 0.00 -0.39 0.00 0.00 64.86 62.79 2kix h ILE 21 Cb 0.11 2.79 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 2kix h ILE 21 CO -0.14 0.54 0.55 0.00 -0.69 0.00 0.00 178.15 178.41 2kix h ALA 22 N 0.25 1.55 -0.21 1.87 0.00 -0.27 -0.26 119.26 122.18 2kix h ALA 22 Ca -0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2kix h ALA 22 Cb 1.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kix h ALA 22 CO 0.05 0.33 -0.17 2.35 0.00 0.00 0.00 179.25 181.81 2kix h TRP 23 N 0.97 0.58 -0.26 0.00 2.91 -0.16 -0.98 115.95 119.00 2kix h TRP 23 Ca 0.36 -0.16 -0.03 0.00 1.13 0.00 0.00 58.89 60.18 2kix h TRP 23 Cb 0.17 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 2kix h TRP 23 CO -0.00 0.82 0.01 1.15 -1.03 0.00 0.00 178.44 179.39 2kix h THR 24 N 0.17 1.16 0.17 2.65 2.02 -0.89 0.38 112.91 118.56 2kix h THR 24 Ca 0.04 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2kix h THR 24 Cb 0.70 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2kix h THR 24 CO 0.04 0.20 -0.08 0.40 0.37 0.00 0.00 175.52 176.46 2kix h ILE 25 N 0.38 0.00 -0.44 3.11 2.04 -0.92 -1.48 117.51 120.19 2kix h ILE 25 Ca 0.09 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2kix h ILE 25 Cb 0.24 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2kix h ILE 25 CO 0.00 0.00 0.18 1.23 0.00 0.00 0.00 178.15 179.57 2kix h GLY 26 N -0.94 0.67 0.57 5.37 0.00 -1.19 0.30 103.07 107.85 2kix h GLY 26 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2kix h GLY 26 CO 0.04 0.30 -0.13 0.84 0.00 0.00 0.00 176.54 177.59 2kix h HIS 27 N 0.63 0.24 -0.61 5.60 -0.00 -0.36 -2.53 115.15 118.13 2kix h HIS 27 Ca 0.15 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.36 2kix h HIS 27 Cb 0.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 2kix h HIS 27 CO 0.01 0.74 0.09 1.25 -0.00 0.00 0.00 177.93 180.02 2kix h LEU 28 N -0.33 0.94 -1.27 0.26 6.46 -1.04 -2.51 115.31 117.82 2kix h LEU 28 Ca -0.00 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2kix h LEU 28 Cb 0.74 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 2kix h LEU 28 CO 0.03 0.94 0.39 0.78 -0.62 0.00 0.00 178.44 179.96 2kix h ASN 29 N 0.93 0.79 -0.65 1.25 -0.26 -0.40 -2.20 115.58 115.03 2kix h ASN 29 Ca 0.19 -0.04 0.11 0.00 -0.56 0.00 0.00 56.30 55.99 2kix h ASN 29 Cb 0.41 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.39 2kix h ASN 29 CO 0.01 0.61 0.23 -0.61 -1.06 0.00 0.00 177.43 176.61 2kix h GLN 30 N 0.91 0.39 -2.45 0.81 5.75 -0.99 -1.79 115.11 117.75 2kix h GLN 30 Ca 0.24 -0.02 -0.71 0.00 -0.15 0.00 0.00 58.65 58.00 2kix h GLN 30 Cb -0.03 -0.09 -0.16 0.00 1.07 0.00 0.00 27.48 28.27 2kix h GLN 30 CO -0.04 0.26 1.86 1.51 -2.65 0.00 0.00 178.83 179.76 2kix n ILE 31 N -5.01 5.02 0.17 2.39 0.13 -0.83 -4.31 119.36 116.92 2kix n ILE 31 Ca 0.10 -4.35 0.00 0.00 -1.10 0.00 0.00 62.75 57.41 2kix n ILE 31 Cb 0.31 -1.90 0.00 0.00 -0.84 0.00 0.00 39.64 37.21 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2kix n LYS 32 N 1.27 0.00 -0.24 9.51 4.81 -0.70 -5.02 118.16 127.79 2kix n LYS 32 Ca 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2kix n LYS 32 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44