#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 -0.03 4.03 0.00 -1.26 -4.52 117.00 115.22 2kix n LEU 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 2kix n LEU 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 2kix n LEU 2 CO 0.00 0.00 0.49 -0.08 0.00 0.00 0.00 177.39 177.80 2kix h GLU 3 N 0.00 0.09 0.00 1.96 4.81 -2.03 -3.07 114.58 116.34 2kix h GLU 3 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kix h GLU 3 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2kix h GLU 3 CO 0.00 0.79 -1.26 -0.35 -0.73 0.00 0.00 179.01 177.46 2kix n PRO 4 N -4.64 0.26 -0.06 0.92 -0.04 -1.26 -4.26 135.00 125.91 2kix n PRO 4 Ca -0.09 -0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 2kix n PRO 4 Cb 0.41 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2kix n PRO 4 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kix n PHE 5 N -1.83 0.00 0.03 0.54 7.35 -1.26 -4.17 117.46 118.12 2kix n PHE 5 Ca 0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.91 2kix n PHE 5 Cb 0.42 -0.34 0.73 0.00 0.35 0.00 0.00 39.48 40.64 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 -0.67 0.00 0.00 -4.13 5.75 -1.81 0.91 115.11 115.15 2kix h GLN 6 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kix h GLN 6 Cb 0.67 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 2kix h GLN 6 CO 0.00 0.00 -0.01 0.97 -2.65 0.00 0.00 178.83 177.14 2kix h ILE 7 N 0.00 0.02 0.03 2.39 2.10 -1.73 -2.58 117.51 117.73 2kix h ILE 7 Ca 0.23 -0.65 -0.05 0.00 1.08 0.00 0.00 64.86 65.48 2kix h ILE 7 Cb 1.05 1.64 0.01 0.00 -1.09 0.00 0.00 36.82 38.42 2kix h ILE 7 CO -0.00 0.01 -0.20 0.25 -1.08 0.00 0.00 178.15 177.12 2kix h LEU 8 N 0.00 0.12 -1.59 2.19 6.46 0.69 -2.77 115.31 120.41 2kix h LEU 8 Ca -0.00 -0.95 0.02 0.00 -0.12 0.00 0.00 57.88 56.83 2kix h LEU 8 Cb 0.64 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2kix h LEU 8 CO 0.00 1.07 0.30 0.77 -0.62 0.00 0.00 178.44 179.96 2kix h SER 9 N -0.80 0.46 0.19 1.25 4.64 -1.42 -1.20 113.55 116.68 2kix h SER 9 Ca -0.03 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2kix h SER 9 Cb 1.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2kix h SER 9 CO 0.04 0.33 -0.09 0.40 -0.87 0.00 0.00 176.83 176.63 2kix h ILE 10 N 0.54 0.00 -0.99 0.95 2.04 -1.52 -1.66 117.51 116.88 2kix h ILE 10 Ca 0.18 -0.25 0.31 0.00 1.00 0.00 0.00 64.86 66.09 2kix h ILE 10 Cb 0.05 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.99 2kix h ILE 10 CO -0.04 0.00 0.52 0.28 0.00 0.00 0.00 178.15 178.91 2kix h SER 11 N -0.51 0.44 -0.45 1.72 0.02 -1.46 0.40 113.55 113.71 2kix h SER 11 Ca -0.03 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2kix h SER 11 Cb 0.20 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2kix h SER 11 CO 0.04 -0.13 0.13 0.28 -1.14 0.00 0.00 176.83 176.01 2kix h SER 12 N 0.31 0.67 -1.00 3.07 0.02 -1.24 -2.57 113.55 112.81 2kix h SER 12 Ca 0.71 -0.21 0.12 0.00 -0.84 0.00 0.00 61.79 61.56 2kix h SER 12 Cb 1.58 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.86 2kix h SER 12 CO -0.61 0.71 0.62 0.15 -1.14 0.00 0.00 176.83 176.56 2kix h PHE 13 N 0.60 1.13 -0.42 3.45 3.57 0.80 0.14 116.94 126.21 2kix h PHE 13 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2kix h PHE 13 Cb 0.28 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2kix h PHE 13 CO 0.01 0.45 0.21 0.82 -2.23 0.00 0.00 178.31 177.57 2kix h ILE 14 N 0.99 1.17 -0.34 1.41 2.04 -1.03 -2.47 117.51 119.28 2kix h ILE 14 Ca 0.49 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2kix h ILE 14 Cb 0.47 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2kix h ILE 14 CO -0.26 0.18 -0.17 0.25 0.00 0.00 0.00 178.15 178.15 2kix h LEU 15 N 0.54 0.62 -0.36 1.44 5.85 -0.85 -2.55 115.31 120.00 2kix h LEU 15 Ca 0.14 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2kix h LEU 15 Cb 0.10 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2kix h LEU 15 CO -0.02 0.80 0.10 0.28 -0.34 0.00 0.00 178.44 179.26 2kix h SER 16 N 0.56 0.08 -0.15 1.25 0.02 -0.33 -0.85 113.55 114.12 2kix h SER 16 Ca 0.09 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2kix h SER 16 Cb 0.61 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2kix h SER 16 CO 0.04 0.08 -0.01 0.00 -1.14 0.00 0.00 176.83 175.80 2kix h ALA 17 N 1.25 0.20 -0.57 3.77 0.00 -1.35 -2.16 119.26 120.40 2kix h ALA 17 Ca 0.17 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2kix h ALA 17 Cb 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2kix h ALA 17 CO -0.19 -0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.25 2kix h LEU 18 N -0.00 -0.19 -1.04 0.00 5.85 -1.09 0.11 115.31 118.94 2kix h LEU 18 Ca 0.04 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2kix h LEU 18 Cb 0.40 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2kix h LEU 18 CO 0.01 -0.07 0.27 -0.74 -0.34 0.00 0.00 178.44 177.56 2kix h HIS 19 N 0.15 0.95 0.12 1.25 2.76 -1.05 0.40 115.15 119.73 2kix h HIS 19 Ca 0.30 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2kix h HIS 19 Cb 0.46 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2kix h HIS 19 CO -0.32 0.73 -0.06 0.35 -1.30 0.00 0.00 177.93 177.33 2kix h PHE 20 N 0.93 -0.15 -0.14 5.26 3.57 -0.15 0.35 116.94 126.62 2kix h PHE 20 Ca 0.22 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.49 2kix h PHE 20 Cb 0.17 0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.97 2kix h PHE 20 CO 0.01 -0.07 -0.81 0.82 -2.23 0.00 0.00 178.31 176.03 2kix h ILE 21 N -0.18 1.28 -0.67 1.41 2.04 -1.06 -2.39 117.51 117.93 2kix h ILE 21 Ca -0.02 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.79 2kix h ILE 21 Cb 0.14 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2kix h ILE 21 CO 0.03 0.64 0.23 0.00 0.00 0.00 0.00 178.15 179.04 2kix h ALA 22 N 0.54 1.14 -0.30 1.87 0.00 -0.09 -0.90 119.26 121.52 2kix h ALA 22 Ca -0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2kix h ALA 22 Cb 1.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kix h ALA 22 CO 0.17 0.60 -0.18 2.35 0.00 0.00 0.00 179.25 182.19 2kix h TRP 23 N 0.98 0.75 -0.32 0.00 2.91 -0.28 0.13 115.95 120.12 2kix h TRP 23 Ca 0.22 -0.20 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 2kix h TRP 23 Cb 0.24 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 2kix h TRP 23 CO 0.02 0.89 -0.08 1.15 -1.03 0.00 0.00 178.44 179.39 2kix h THR 24 N 0.40 1.22 0.00 2.65 2.02 -1.15 0.99 112.91 119.04 2kix h THR 24 Ca 0.06 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2kix h THR 24 Cb 0.71 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2kix h THR 24 CO 0.05 0.32 -0.04 0.40 0.37 0.00 0.00 175.52 176.62 2kix h ILE 25 N 0.49 0.49 -0.46 3.11 2.04 -1.04 -1.95 117.51 120.19 2kix h ILE 25 Ca 0.10 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.59 2kix h ILE 25 Cb 0.44 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2kix h ILE 25 CO 0.02 0.17 0.31 1.23 0.00 0.00 0.00 178.15 179.88 2kix h GLY 26 N -1.00 0.65 0.24 5.37 0.00 -0.80 0.48 103.07 108.01 2kix h GLY 26 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2kix h GLY 26 CO -0.00 0.23 -0.08 0.84 0.00 0.00 0.00 176.54 177.53 2kix h HIS 27 N 0.62 0.07 -0.71 5.60 -0.00 -0.92 -2.85 115.15 116.96 2kix h HIS 27 Ca 0.17 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 2kix h HIS 27 Cb -0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 2kix h HIS 27 CO -0.00 0.87 0.24 1.25 -0.00 0.00 0.00 177.93 180.29 2kix h LEU 28 N -0.75 1.00 -1.18 0.26 6.46 -1.14 -2.37 115.31 117.59 2kix h LEU 28 Ca -0.01 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2kix h LEU 28 Cb 0.90 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 2kix h LEU 28 CO 0.01 0.91 0.48 -1.13 -0.62 0.00 0.00 178.44 178.10 2kix h ASN 29 N 1.04 0.92 -0.48 1.25 -0.73 -0.11 -2.34 115.58 115.12 2kix h ASN 29 Ca 0.23 -0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.40 2kix h ASN 29 Cb 0.26 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 2kix h ASN 29 CO -0.01 0.69 0.25 -0.61 -0.37 0.00 0.00 177.43 177.37 2kix h GLN 30 N 1.06 0.47 -2.32 6.67 5.75 -1.17 -1.19 115.11 124.38 2kix h GLN 30 Ca 0.28 -0.03 -0.68 0.00 -0.15 0.00 0.00 58.65 58.08 2kix h GLN 30 Cb -0.07 -0.11 -0.17 0.00 1.07 0.00 0.00 27.48 28.20 2kix h GLN 30 CO -0.06 0.31 1.48 1.51 -2.65 0.00 0.00 178.83 179.43 2kix n ILE 31 N -4.88 4.64 0.05 2.39 3.06 -0.88 -4.40 119.36 119.33 2kix n ILE 31 Ca 0.03 -4.14 0.00 0.00 -2.50 0.00 0.00 62.75 56.14 2kix n ILE 31 Cb 0.12 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.51 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 1.02 0.00 -0.25 9.51 4.81 -0.99 -4.99 118.16 127.27 2kix n LYS 32 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2kix n LYS 32 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44