#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kix h LEU 2 N 0.00 0.00 0.00 -0.89 5.85 -1.95 -3.47 115.31 114.84 2kix h LEU 2 Ca 0.00 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.13 2kix h LEU 2 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2kix h LEU 2 CO 0.00 0.87 0.34 -1.84 -0.34 0.00 0.00 178.44 177.47 2kix n GLU 3 N -4.65 0.29 0.00 1.25 0.28 -1.26 -4.96 120.64 111.59 2kix n GLU 3 Ca -0.08 -0.70 0.00 0.00 -0.16 0.00 0.00 57.16 56.22 2kix n GLU 3 Cb 0.35 0.97 0.00 0.00 1.43 0.00 0.00 31.44 34.19 2kix n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2kix n PRO 4 N -0.39 0.00 0.00 3.44 -0.02 -1.26 -2.46 135.00 134.31 2kix n PRO 4 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kix n PRO 4 Cb 0.30 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2kix n PRO 4 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kix n PHE 5 N -0.52 0.00 -0.35 6.00 7.35 -1.26 -4.06 117.46 124.62 2kix n PHE 5 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 2kix n PHE 5 Cb 0.00 0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.03 2kix n PHE 5 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2kix h GLN 6 N 0.00 0.96 0.00 -4.13 5.75 -1.91 0.47 115.11 116.25 2kix h GLN 6 Ca 0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2kix h GLN 6 Cb 0.00 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.33 2kix h GLN 6 CO 0.00 0.64 -0.01 0.97 -2.65 0.00 0.00 178.83 177.77 2kix h ILE 7 N 0.99 0.08 0.12 2.39 2.10 -1.75 -1.72 117.51 119.73 2kix h ILE 7 Ca 0.45 -0.20 -0.28 0.00 1.08 0.00 0.00 64.86 65.91 2kix h ILE 7 Cb 0.37 1.18 0.02 0.00 -1.09 0.00 0.00 36.82 37.30 2kix h ILE 7 CO -0.24 0.01 -1.22 0.25 -1.08 0.00 0.00 178.15 175.87 2kix h LEU 8 N 0.00 0.65 -0.10 2.19 6.46 -0.22 -1.07 115.31 123.22 2kix h LEU 8 Ca -0.00 -0.63 -0.01 0.00 -0.12 0.00 0.00 57.88 57.12 2kix h LEU 8 Cb 0.18 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2kix h LEU 8 CO 0.00 1.46 0.02 0.77 -0.62 0.00 0.00 178.44 180.08 2kix h SER 9 N 0.18 0.15 1.31 1.25 4.64 -0.91 0.43 113.55 120.59 2kix h SER 9 Ca -0.16 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 2kix h SER 9 Cb 1.91 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.95 2kix h SER 9 CO 0.22 0.34 -0.42 0.16 -0.87 0.00 0.00 176.83 176.26 2kix h ILE 10 N -0.04 0.78 0.03 0.95 3.07 -1.60 -1.44 117.51 119.26 2kix h ILE 10 Ca 0.03 -1.87 -0.06 0.00 1.55 0.00 0.00 64.86 64.51 2kix h ILE 10 Cb 0.25 2.22 0.01 0.00 -0.27 0.00 0.00 36.82 39.02 2kix h ILE 10 CO 0.00 0.41 -0.26 -1.28 -1.05 0.00 0.00 178.15 175.97 2kix h SER 11 N 0.00 0.17 0.57 2.16 0.87 -1.03 -2.75 113.55 113.54 2kix h SER 11 Ca -0.00 -0.90 -0.04 0.00 -1.23 0.00 0.00 61.79 59.61 2kix h SER 11 Cb 1.18 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2kix h SER 11 CO 0.05 1.06 -0.20 -1.28 -0.53 0.00 0.00 176.83 175.93 2kix h SER 12 N -0.69 0.00 0.37 6.23 0.87 -0.21 -2.11 113.55 118.00 2kix h SER 12 Ca -0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2kix h SER 12 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2kix h SER 12 CO 0.05 0.20 -0.18 0.15 -0.53 0.00 0.00 176.83 176.53 2kix h PHE 13 N 0.00 -0.46 -0.79 2.24 3.57 -1.31 0.31 116.94 120.50 2kix h PHE 13 Ca -0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2kix h PHE 13 Cb 0.54 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 2kix h PHE 13 CO 0.00 -0.28 0.52 0.97 -2.23 0.00 0.00 178.31 177.28 2kix h ILE 14 N -1.04 0.87 -0.17 1.41 2.10 -1.50 -0.26 117.51 118.91 2kix h ILE 14 Ca -0.05 -0.20 -0.22 0.00 1.08 0.00 0.00 64.86 65.47 2kix h ILE 14 Cb 0.38 0.22 0.01 0.00 -1.09 0.00 0.00 36.82 36.34 2kix h ILE 14 CO 0.08 0.11 -0.74 0.25 -1.08 0.00 0.00 178.15 176.78 2kix h LEU 15 N 0.59 0.94 -0.68 2.19 6.46 -1.40 -2.79 115.31 120.62 2kix h LEU 15 Ca 0.38 -0.62 0.15 0.00 -0.12 0.00 0.00 57.88 57.67 2kix h LEU 15 Cb 0.65 -0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 40.19 2kix h LEU 15 CO -0.14 1.40 0.05 -1.28 -0.62 0.00 0.00 178.44 177.85 2kix h SER 16 N 0.54 -0.20 0.20 1.25 0.87 0.14 0.32 113.55 116.68 2kix h SER 16 Ca -0.04 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2kix h SER 16 Cb 1.36 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2kix h SER 16 CO 0.15 -0.11 -0.10 0.00 -0.53 0.00 0.00 176.83 176.25 2kix h ALA 17 N 1.61 -0.27 -0.76 6.23 0.00 -1.48 -2.13 119.26 122.46 2kix h ALA 17 Ca 0.37 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2kix h ALA 17 Cb 0.63 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2kix h ALA 17 CO -0.55 -0.47 0.21 1.25 0.00 0.00 0.00 179.25 179.68 2kix h LEU 18 N -0.63 0.06 -1.45 0.00 5.85 -1.02 0.51 115.31 118.63 2kix h LEU 18 Ca -0.03 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2kix h LEU 18 Cb 0.46 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2kix h LEU 18 CO 0.05 -0.03 0.01 -0.74 -0.34 0.00 0.00 178.44 177.39 2kix h HIS 19 N 0.29 0.38 0.07 1.25 2.76 -0.30 0.43 115.15 120.03 2kix h HIS 19 Ca 0.44 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 2kix h HIS 19 Cb 0.75 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2kix h HIS 19 CO -0.24 0.37 -0.03 0.35 -1.30 0.00 0.00 177.93 177.08 2kix h PHE 20 N 0.37 -0.08 0.00 5.26 3.57 0.67 -1.84 116.94 124.89 2kix h PHE 20 Ca 0.08 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 2kix h PHE 20 Cb 0.22 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2kix h PHE 20 CO 0.01 0.27 -0.68 -0.84 -2.23 0.00 0.00 178.31 174.84 2kix h ILE 21 N -0.45 1.43 -0.08 1.41 3.07 -1.08 -2.75 117.51 119.06 2kix h ILE 21 Ca -0.01 -2.37 -0.08 0.00 1.55 0.00 0.00 64.86 63.96 2kix h ILE 21 Cb 0.39 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 2kix h ILE 21 CO 0.02 0.66 -0.32 0.00 -1.05 0.00 0.00 178.15 177.46 2kix h ALA 22 N 1.32 1.32 0.03 0.16 0.00 -0.09 0.56 119.26 122.57 2kix h ALA 22 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2kix h ALA 22 Cb 1.24 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kix h ALA 22 CO 0.09 0.48 -0.45 2.35 0.00 0.00 0.00 179.25 181.71 2kix h TRP 23 N 0.14 0.39 -0.22 0.00 2.91 -1.20 -1.40 115.95 116.57 2kix h TRP 23 Ca 0.02 -0.24 -0.11 0.00 1.13 0.00 0.00 58.89 59.69 2kix h TRP 23 Cb 0.63 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 2kix h TRP 23 CO 0.01 1.09 -0.34 1.15 -1.03 0.00 0.00 178.44 179.32 2kix h THR 24 N -0.42 1.29 0.09 2.65 2.02 -1.41 0.13 112.91 117.26 2kix h THR 24 Ca -0.07 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 2kix h THR 24 Cb 1.25 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2kix h THR 24 CO 0.09 0.45 -0.04 0.40 0.37 0.00 0.00 175.52 176.78 2kix h ILE 25 N 0.40 0.98 -0.31 3.11 2.04 -0.96 0.12 117.51 122.88 2kix h ILE 25 Ca 0.05 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 2kix h ILE 25 Cb 0.79 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2kix h ILE 25 CO 0.06 0.28 0.01 1.23 0.00 0.00 0.00 178.15 179.74 2kix h GLY 26 N -0.89 0.50 0.16 5.37 0.00 -1.29 0.93 103.07 107.85 2kix h GLY 26 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2kix h GLY 26 CO 0.02 0.27 -0.02 0.84 0.00 0.00 0.00 176.54 177.65 2kix h HIS 27 N 0.45 -0.04 -0.04 5.60 -0.00 -0.80 -2.55 115.15 117.77 2kix h HIS 27 Ca 0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2kix h HIS 27 Cb 0.29 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2kix h HIS 27 CO 0.01 0.65 0.02 1.25 -0.00 0.00 0.00 177.93 179.85 2kix h LEU 28 N -0.88 0.06 -1.56 0.26 6.46 -0.66 -2.35 115.31 116.64 2kix h LEU 28 Ca -0.00 -0.18 0.15 0.00 -0.12 0.00 0.00 57.88 57.73 2kix h LEU 28 Cb 0.71 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2kix h LEU 28 CO 0.01 0.23 0.52 -1.13 -0.62 0.00 0.00 178.44 177.44 2kix h ASN 29 N -0.11 0.40 0.09 1.25 -0.73 0.78 -1.33 115.58 115.93 2kix h ASN 29 Ca 0.01 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 2kix h ASN 29 Cb 0.19 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2kix h ASN 29 CO -0.00 0.20 -0.04 -0.61 -0.37 0.00 0.00 177.43 176.61 2kix h GLN 30 N 0.43 -0.12 -2.35 6.67 5.75 -0.98 -2.51 115.11 122.00 2kix h GLN 30 Ca 0.38 0.01 -0.61 0.00 -0.15 0.00 0.00 58.65 58.28 2kix h GLN 30 Cb 0.87 0.03 -0.14 0.00 1.07 0.00 0.00 27.48 29.31 2kix h GLN 30 CO -0.13 -0.08 1.52 1.51 -2.65 0.00 0.00 178.83 179.01 2kix n ILE 31 N -5.14 4.32 0.00 2.39 3.06 -0.50 -4.42 119.36 119.07 2kix n ILE 31 Ca -0.08 -3.58 0.00 0.00 -2.50 0.00 0.00 62.75 56.60 2kix n ILE 31 Cb 0.08 -1.90 0.00 0.00 0.54 0.00 0.00 39.64 38.36 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 1.49 0.00 -0.24 9.51 4.81 -1.08 -4.99 118.16 127.66 2kix n LYS 32 Ca 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2kix n LYS 32 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44