#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 -4.54 117.00 110.30 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 3.07 -2.06 -2.36 114.58 115.23 2kix h GLU 3 Ca 0.00 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 2kix h GLU 3 Cb 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2kix h GLU 3 CO 0.00 0.43 -1.79 -0.35 -1.40 0.00 0.00 179.01 175.90 2kix n PRO 4 N -4.87 0.65 -0.04 2.33 -0.04 -1.26 -4.50 135.00 127.27 2kix n PRO 4 Ca -0.08 -0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 2kix n PRO 4 Cb 0.22 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.26 -0.39 0.54 3.57 -1.85 -3.35 116.94 115.72 2kix h PHE 5 Ca -0.14 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.22 2kix h PHE 5 Cb 1.35 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.01 2kix h PHE 5 CO 0.00 1.55 -0.43 0.37 -2.23 0.00 0.00 178.31 177.57 2kix h GLN 6 N -0.53 -0.24 -0.12 1.11 -0.00 -1.65 0.66 115.11 114.34 2kix h GLN 6 Ca -0.33 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.37 2kix h GLN 6 Cb 1.60 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 29.13 2kix h GLN 6 CO -0.04 -0.16 0.35 0.97 0.00 0.00 0.00 178.83 179.96 2kix h ILE 7 N -0.25 0.12 -0.09 2.39 6.09 -1.77 -0.42 117.51 123.59 2kix h ILE 7 Ca 0.07 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.51 2kix h ILE 7 Cb 0.42 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 2kix h ILE 7 CO -0.50 0.00 -0.11 0.25 -3.07 0.00 0.00 178.15 174.72 2kix h LEU 8 N 0.00 0.25 -1.58 2.19 6.46 0.19 -2.86 115.31 119.97 2kix h LEU 8 Ca 0.06 -0.51 -0.04 0.00 -0.12 0.00 0.00 57.88 57.26 2kix h LEU 8 Cb 0.76 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2kix h LEU 8 CO -0.00 0.72 -0.12 0.77 -0.62 0.00 0.00 178.44 179.19 2kix h SER 9 N -0.21 0.11 0.79 1.25 4.64 -0.70 -2.71 113.55 116.72 2kix h SER 9 Ca 0.01 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2kix h SER 9 Cb 0.66 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2kix h SER 9 CO 0.03 0.25 -0.38 0.40 -0.87 0.00 0.00 176.83 176.26 2kix h ILE 10 N 0.12 0.05 -0.81 0.95 1.08 -1.35 0.22 117.51 117.77 2kix h ILE 10 Ca 0.03 -0.20 0.17 0.00 -0.39 0.00 0.00 64.86 64.47 2kix h ILE 10 Cb 0.29 0.07 -0.11 0.00 -3.07 0.00 0.00 36.82 34.00 2kix h ILE 10 CO 0.02 0.01 0.32 0.28 -0.69 0.00 0.00 178.15 178.08 2kix h SER 11 N -1.25 0.26 -0.66 1.72 0.02 -1.44 0.31 113.55 112.51 2kix h SER 11 Ca -0.11 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2kix h SER 11 Cb 0.82 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2kix h SER 11 CO 0.18 0.05 0.12 0.28 -1.14 0.00 0.00 176.83 176.32 2kix h SER 12 N 0.41 1.03 -0.23 3.07 0.02 -1.34 -1.67 113.55 114.85 2kix h SER 12 Ca 0.47 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2kix h SER 12 Cb 0.79 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2kix h SER 12 CO -0.47 1.02 0.02 0.15 -1.14 0.00 0.00 176.83 176.41 2kix h PHE 13 N 1.00 0.42 -0.80 3.45 3.57 0.18 0.30 116.94 125.07 2kix h PHE 13 Ca 0.20 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2kix h PHE 13 Cb 0.42 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2kix h PHE 13 CO 0.03 0.55 0.50 0.82 -2.23 0.00 0.00 178.31 177.98 2kix h ILE 14 N 0.17 1.11 -0.33 1.41 2.04 -0.37 -2.31 117.51 119.23 2kix h ILE 14 Ca 0.07 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 2kix h ILE 14 Cb 0.37 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2kix h ILE 14 CO 0.01 0.18 -0.30 0.25 0.00 0.00 0.00 178.15 178.28 2kix h LEU 15 N 0.98 0.84 -0.48 1.44 6.46 -1.13 -2.60 115.31 120.82 2kix h LEU 15 Ca 0.32 -0.46 0.10 0.00 -0.12 0.00 0.00 57.88 57.72 2kix h LEU 15 Cb 0.03 -0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 39.63 2kix h LEU 15 CO -0.12 1.13 -0.15 0.77 -0.62 0.00 0.00 178.44 179.45 2kix h SER 16 N 0.57 -0.54 -0.10 1.25 4.64 -0.39 0.38 113.55 119.36 2kix h SER 16 Ca 0.06 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2kix h SER 16 Cb 0.88 0.33 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kix h SER 16 CO 0.08 -0.19 0.03 0.00 -0.87 0.00 0.00 176.83 175.88 2kix h ALA 17 N 1.40 0.13 -0.55 5.18 0.00 -1.45 -1.07 119.26 122.90 2kix h ALA 17 Ca 0.23 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2kix h ALA 17 Cb 0.39 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2kix h ALA 17 CO -0.52 -0.26 0.15 1.25 0.00 0.00 0.00 179.25 179.87 2kix h LEU 18 N -0.03 0.08 -1.30 0.00 5.85 -0.87 0.11 115.31 119.14 2kix h LEU 18 Ca 0.03 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2kix h LEU 18 Cb 0.21 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2kix h LEU 18 CO -0.00 0.06 0.20 -0.74 -0.34 0.00 0.00 178.44 177.63 2kix h HIS 19 N 0.30 0.68 0.03 1.25 2.76 -0.05 0.45 115.15 120.57 2kix h HIS 19 Ca 0.28 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2kix h HIS 19 Cb 0.37 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2kix h HIS 19 CO -0.21 0.52 -0.01 0.35 -1.30 0.00 0.00 177.93 177.28 2kix h PHE 20 N 0.68 -0.04 -0.05 5.26 3.57 0.50 0.43 116.94 127.30 2kix h PHE 20 Ca 0.17 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2kix h PHE 20 Cb 0.12 0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.87 2kix h PHE 20 CO 0.01 0.11 -0.35 0.82 -2.23 0.00 0.00 178.31 176.66 2kix h ILE 21 N -0.17 1.44 -0.99 1.41 2.04 -0.95 -2.65 117.51 117.63 2kix h ILE 21 Ca -0.00 -1.81 0.08 0.00 1.00 0.00 0.00 64.86 64.13 2kix h ILE 21 Cb 0.16 2.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 2kix h ILE 21 CO 0.01 0.52 0.64 0.00 0.00 0.00 0.00 178.15 179.31 2kix h ALA 22 N 0.39 1.46 -0.22 1.87 0.00 -0.10 -0.51 119.26 122.15 2kix h ALA 22 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kix h ALA 22 Cb 1.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kix h ALA 22 CO 0.07 0.36 -0.02 2.35 0.00 0.00 0.00 179.25 182.01 2kix h TRP 23 N 1.10 0.44 -0.27 0.00 2.91 -0.92 -1.04 115.95 118.17 2kix h TRP 23 Ca 0.45 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.38 2kix h TRP 23 Cb 0.29 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2kix h TRP 23 CO -0.00 0.60 0.13 1.15 -1.03 0.00 0.00 178.44 179.29 2kix h THR 24 N 0.15 1.10 0.14 2.65 2.02 -0.99 0.45 112.91 118.43 2kix h THR 24 Ca 0.06 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2kix h THR 24 Cb 0.44 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2kix h THR 24 CO 0.01 0.11 -0.07 0.40 0.37 0.00 0.00 175.52 176.35 2kix h ILE 25 N 0.38 0.00 -0.59 3.11 2.04 -0.83 -1.12 117.51 120.50 2kix h ILE 25 Ca 0.10 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2kix h ILE 25 Cb 0.05 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2kix h ILE 25 CO -0.01 0.00 0.39 1.23 0.00 0.00 0.00 178.15 179.76 2kix h GLY 26 N -0.57 0.83 0.52 5.37 0.00 -1.19 0.42 103.07 108.44 2kix h GLY 26 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2kix h GLY 26 CO 0.03 0.31 -0.01 0.84 0.00 0.00 0.00 176.54 177.70 2kix h HIS 27 N 0.80 0.04 -0.35 5.60 -0.00 -0.21 -3.01 115.15 118.02 2kix h HIS 27 Ca 0.22 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 2kix h HIS 27 Cb -0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 2kix h HIS 27 CO 0.00 0.53 -0.06 1.25 -0.00 0.00 0.00 177.93 179.64 2kix h LEU 28 N -0.46 0.56 -1.45 0.26 6.46 -0.91 -2.46 115.31 117.31 2kix h LEU 28 Ca 0.00 -0.13 0.09 0.00 -0.12 0.00 0.00 57.88 57.72 2kix h LEU 28 Cb 0.52 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2kix h LEU 28 CO 0.00 0.67 0.47 -1.13 -0.62 0.00 0.00 178.44 177.83 2kix h ASN 29 N 0.54 0.57 0.10 1.25 -0.73 -0.12 -2.18 115.58 115.02 2kix h ASN 29 Ca 0.11 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 2kix h ASN 29 Cb 0.45 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.93 2kix h ASN 29 CO 0.02 0.35 -0.05 1.56 -0.37 0.00 0.00 177.43 178.94 2kix h GLN 30 N 0.64 -0.13 -1.98 6.67 4.20 -1.30 -2.70 115.11 120.50 2kix h GLN 30 Ca 0.32 0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.71 2kix h GLN 30 Cb 0.41 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.10 2kix h GLN 30 CO -0.11 -0.03 0.01 1.51 -0.67 0.00 0.00 178.83 179.54 2kix n ILE 31 N -5.12 3.10 -0.11 2.54 3.06 -0.82 -4.09 119.36 117.92 2kix n ILE 31 Ca -0.08 -2.16 -0.20 0.00 -2.50 0.00 0.00 62.75 57.82 2kix n ILE 31 Cb 0.11 -1.77 -0.09 0.00 0.54 0.00 0.00 39.64 38.43 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 1.63 0.49 0.00 9.51 4.81 -1.02 -5.02 118.16 128.57 2kix n LYS 32 Ca 0.44 0.17 0.01 0.00 -0.87 0.00 0.00 58.31 58.05 2kix n LYS 32 Cb 0.72 -1.35 0.04 0.00 0.02 0.00 0.00 35.03 34.46 2kix n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11