#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 4.03 0.00 -1.26 -4.56 117.00 115.20 2kix n LEU 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 2kix n LEU 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 2kix n LEU 2 CO 0.00 0.00 0.72 -0.08 0.00 0.00 0.00 177.39 178.03 2kix h GLU 3 N 0.00 0.07 0.00 1.96 4.81 -2.06 -1.78 114.58 117.59 2kix h GLU 3 Ca 0.00 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 2kix h GLU 3 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2kix h GLU 3 CO 0.00 0.37 -1.79 -0.35 -0.73 0.00 0.00 179.01 176.51 2kix n PRO 4 N -4.89 0.65 -0.02 0.92 -0.04 -1.26 -4.46 135.00 125.90 2kix n PRO 4 Ca -0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 2kix n PRO 4 Cb 0.19 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.34 -0.61 0.54 3.57 -1.85 -3.37 116.94 115.55 2kix h PHE 5 Ca -0.17 -0.25 0.12 0.00 3.53 0.00 0.00 57.97 61.20 2kix h PHE 5 Cb 1.44 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 40.04 2kix h PHE 5 CO 0.00 1.62 -0.22 0.37 -2.23 0.00 0.00 178.31 177.85 2kix h GLN 6 N -0.35 -0.06 -0.03 1.11 4.15 -1.55 1.25 115.11 119.63 2kix h GLN 6 Ca -0.36 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.07 2kix h GLN 6 Cb 1.74 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.44 2kix h GLN 6 CO -0.00 -0.04 0.29 0.97 -1.93 0.00 0.00 178.83 178.11 2kix h ILE 7 N -0.07 0.04 0.06 2.39 2.10 -1.74 -0.08 117.51 120.21 2kix h ILE 7 Ca 0.28 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 66.11 2kix h ILE 7 Cb 0.50 0.72 0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2kix h ILE 7 CO -0.66 0.00 -0.47 0.25 -1.08 0.00 0.00 178.15 176.18 2kix h LEU 8 N 0.00 0.30 -1.52 2.19 6.46 0.14 -2.81 115.31 120.07 2kix h LEU 8 Ca 0.01 -0.92 -0.02 0.00 -0.12 0.00 0.00 57.88 56.83 2kix h LEU 8 Cb 0.59 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2kix h LEU 8 CO -0.00 1.19 0.05 0.77 -0.62 0.00 0.00 178.44 179.83 2kix h SER 9 N -0.54 0.32 0.26 1.25 4.64 -0.62 -1.54 113.55 117.33 2kix h SER 9 Ca -0.08 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2kix h SER 9 Cb 1.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2kix h SER 9 CO 0.09 0.35 -0.13 0.40 -0.87 0.00 0.00 176.83 176.67 2kix h ILE 10 N 0.36 0.00 -0.94 0.95 2.04 -1.43 -1.77 117.51 116.71 2kix h ILE 10 Ca 0.09 -0.34 0.27 0.00 1.00 0.00 0.00 64.86 65.88 2kix h ILE 10 Cb 0.17 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.10 2kix h ILE 10 CO -0.00 0.00 0.42 0.28 0.00 0.00 0.00 178.15 178.85 2kix h SER 11 N -0.68 0.30 -0.70 1.72 0.02 -1.49 0.58 113.55 113.29 2kix h SER 11 Ca -0.04 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2kix h SER 11 Cb 0.27 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2kix h SER 11 CO 0.06 -0.11 0.28 -1.28 -1.14 0.00 0.00 176.83 174.64 2kix h SER 12 N 0.31 0.97 -0.04 3.07 0.87 -1.30 -0.62 113.55 116.82 2kix h SER 12 Ca 0.64 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 2kix h SER 12 Cb 1.35 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kix h SER 12 CO -0.61 0.87 -0.01 0.15 -0.53 0.00 0.00 176.83 176.70 2kix h PHE 13 N 1.04 0.09 -0.70 2.24 3.57 0.10 0.35 116.94 123.63 2kix h PHE 13 Ca 0.24 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2kix h PHE 13 Cb 0.20 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2kix h PHE 13 CO 0.02 0.43 0.46 0.82 -2.23 0.00 0.00 178.31 177.81 2kix h ILE 14 N -0.28 1.17 -0.15 1.41 2.04 -0.97 -2.55 117.51 118.19 2kix h ILE 14 Ca 0.01 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2kix h ILE 14 Cb 0.40 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2kix h ILE 14 CO 0.00 0.17 -0.26 0.25 0.00 0.00 0.00 178.15 178.32 2kix h LEU 15 N 0.94 0.48 -0.79 1.44 6.46 -1.06 -2.58 115.31 120.20 2kix h LEU 15 Ca 0.26 -0.54 0.19 0.00 -0.12 0.00 0.00 57.88 57.66 2kix h LEU 15 Cb -0.10 -0.14 -0.13 0.00 -0.73 0.00 0.00 40.66 39.57 2kix h LEU 15 CO -0.06 0.93 0.16 0.77 -0.62 0.00 0.00 178.44 179.62 2kix h SER 16 N 0.04 -0.08 -0.23 1.25 4.64 -0.02 0.10 113.55 119.26 2kix h SER 16 Ca 0.01 0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 2kix h SER 16 Cb 0.84 0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2kix h SER 16 CO 0.06 -0.11 -0.34 0.00 -0.87 0.00 0.00 176.83 175.57 2kix h ALA 17 N 1.69 0.35 -0.69 5.18 0.00 -1.45 -2.22 119.26 122.12 2kix h ALA 17 Ca 0.46 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2kix h ALA 17 Cb 0.85 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2kix h ALA 17 CO -0.60 0.40 0.37 1.25 0.00 0.00 0.00 179.25 180.68 2kix h LEU 18 N 0.33 0.53 -0.70 0.00 5.85 -0.57 -0.72 115.31 120.03 2kix h LEU 18 Ca 0.02 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2kix h LEU 18 Cb 0.93 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kix h LEU 18 CO 0.08 0.33 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.48 2kix h HIS 19 N 0.67 0.80 0.12 1.25 2.76 -0.85 0.23 115.15 120.13 2kix h HIS 19 Ca 0.32 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2kix h HIS 19 Cb 0.25 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2kix h HIS 19 CO -0.09 0.90 -0.06 0.35 -1.30 0.00 0.00 177.93 177.74 2kix h PHE 20 N 0.59 -0.15 -0.10 5.26 3.57 -0.64 0.40 116.94 125.88 2kix h PHE 20 Ca 0.07 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 2kix h PHE 20 Cb 0.79 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2kix h PHE 20 CO 0.04 0.07 -0.65 0.97 -2.23 0.00 0.00 178.31 176.51 2kix h ILE 21 N -0.36 1.37 -0.28 1.41 2.10 -1.16 -2.06 117.51 118.54 2kix h ILE 21 Ca -0.02 -2.02 -0.16 0.00 1.08 0.00 0.00 64.86 63.75 2kix h ILE 21 Cb 0.29 2.00 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2kix h ILE 21 CO 0.03 0.61 -0.45 0.00 -1.08 0.00 0.00 178.15 177.26 2kix h ALA 22 N 1.02 0.43 -0.35 0.18 0.00 -0.45 -2.12 119.26 117.97 2kix h ALA 22 Ca -0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2kix h ALA 22 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kix h ALA 22 CO 0.11 0.57 -0.08 2.35 0.00 0.00 0.00 179.25 182.20 2kix h TRP 23 N 0.55 0.76 -0.41 0.00 2.91 -0.18 0.20 115.95 119.78 2kix h TRP 23 Ca 0.02 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 59.84 2kix h TRP 23 Cb 1.05 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 2kix h TRP 23 CO 0.08 0.83 0.09 1.15 -1.03 0.00 0.00 178.44 179.56 2kix h THR 24 N 0.46 1.19 0.00 2.65 2.02 -1.36 0.12 112.91 117.99 2kix h THR 24 Ca 0.09 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2kix h THR 24 Cb 0.59 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2kix h THR 24 CO 0.03 0.25 -0.06 0.40 0.37 0.00 0.00 175.52 176.51 2kix h ILE 25 N 0.60 0.21 -0.74 3.11 2.04 -1.17 -1.37 117.51 120.18 2kix h ILE 25 Ca 0.14 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.94 2kix h ILE 25 Cb 0.25 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2kix h ILE 25 CO -0.00 0.07 0.49 1.23 0.00 0.00 0.00 178.15 179.94 2kix h GLY 26 N -1.00 0.87 0.09 5.37 0.00 -0.64 1.20 103.07 108.97 2kix h GLY 26 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2kix h GLY 26 CO -0.00 0.13 -0.02 0.84 0.00 0.00 0.00 176.54 177.48 2kix h HIS 27 N 0.58 -0.05 0.26 5.60 -0.00 -0.87 -2.92 115.15 117.75 2kix h HIS 27 Ca 0.35 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 2kix h HIS 27 Cb 0.57 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 2kix h HIS 27 CO -0.00 0.45 -0.12 1.25 -0.00 0.00 0.00 177.93 179.51 2kix h LEU 28 N -0.97 -0.29 -1.55 0.26 6.46 -0.98 -2.05 115.31 116.19 2kix h LEU 28 Ca -0.01 -0.03 0.26 0.00 -0.12 0.00 0.00 57.88 57.98 2kix h LEU 28 Cb 0.53 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 2kix h LEU 28 CO 0.01 -0.16 0.67 -1.13 -0.62 0.00 0.00 178.44 177.22 2kix h ASN 29 N -0.41 0.33 0.83 1.25 -1.24 0.13 -1.69 115.58 114.79 2kix h ASN 29 Ca -0.04 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 2kix h ASN 29 Cb 0.31 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.36 2kix h ASN 29 CO 0.06 0.09 -0.40 -0.61 -1.29 0.00 0.00 177.43 175.28 2kix h GLN 30 N 0.31 -1.07 -2.10 6.67 5.75 -1.17 -2.85 115.11 120.65 2kix h GLN 30 Ca 0.54 0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.98 2kix h GLN 30 Cb 1.54 0.24 -0.05 0.00 1.07 0.00 0.00 27.48 30.28 2kix h GLN 30 CO -0.20 -0.71 -0.24 1.51 -2.65 0.00 0.00 178.83 176.54 2kix n ILE 31 N -5.32 2.49 -0.10 2.39 3.06 -0.64 -3.97 119.36 117.27 2kix n ILE 31 Ca -0.14 -1.17 -0.18 0.00 -2.50 0.00 0.00 62.75 58.77 2kix n ILE 31 Cb 0.44 -1.86 -0.06 0.00 0.54 0.00 0.00 39.64 38.70 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2kix n LYS 32 N 2.39 0.50 -0.23 9.51 4.81 -1.08 -5.00 118.16 129.07 2kix n LYS 32 Ca 0.31 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2kix n LYS 32 Cb 0.75 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.43 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44