#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 -0.02 4.03 0.00 -1.26 -4.57 117.00 115.19 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 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2kix n LEU 2 CO 0.00 0.00 0.63 -0.33 0.00 0.00 0.00 177.39 177.69 2kix h GLU 3 N 0.00 0.02 0.00 1.96 5.08 -2.05 -2.33 114.58 117.26 2kix h GLU 3 Ca 0.00 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2kix h GLU 3 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2kix h GLU 3 CO 0.00 0.51 -1.79 -0.35 -1.00 0.00 0.00 179.01 176.38 2kix n PRO 4 N -4.84 0.64 -0.08 2.33 -0.04 -1.26 -4.32 135.00 127.44 2kix n PRO 4 Ca -0.08 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 2kix n PRO 4 Cb 0.26 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.01 -0.25 0.54 3.04 -1.85 -3.34 116.94 115.10 2kix h PHE 5 Ca -0.28 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.69 2kix h PHE 5 Cb 1.80 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.26 2kix h PHE 5 CO 0.00 1.18 -0.34 0.37 -2.02 0.00 0.00 178.31 177.50 2kix h GLN 6 N -0.98 -0.24 -0.14 1.11 5.75 -1.64 0.81 115.11 119.77 2kix h GLN 6 Ca -0.13 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2kix h GLN 6 Cb 1.13 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 2kix h GLN 6 CO -0.07 -0.16 0.77 0.97 -2.65 0.00 0.00 178.83 177.69 2kix h ILE 7 N -0.25 0.03 -0.00 2.39 2.10 -1.75 0.53 117.51 120.55 2kix h ILE 7 Ca 0.04 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.96 2kix h ILE 7 Cb 0.37 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.36 2kix h ILE 7 CO -0.36 0.00 -0.09 0.25 -1.08 0.00 0.00 178.15 176.87 2kix h LEU 8 N 0.00 0.08 -1.38 2.19 6.46 0.52 -2.83 115.31 120.34 2kix h LEU 8 Ca 0.07 -0.78 0.06 0.00 -0.12 0.00 0.00 57.88 57.11 2kix h LEU 8 Cb 1.60 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.46 2kix h LEU 8 CO -0.00 0.85 0.47 0.77 -0.62 0.00 0.00 178.44 179.91 2kix h SER 9 N -0.69 0.66 0.65 1.25 4.64 0.42 -2.45 113.55 118.02 2kix h SER 9 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2kix h SER 9 Cb 0.86 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2kix h SER 9 CO 0.02 0.43 -0.31 0.40 -0.87 0.00 0.00 176.83 176.49 2kix h ILE 10 N 0.75 0.33 -0.85 0.95 1.08 -1.43 -2.33 117.51 116.01 2kix h ILE 10 Ca 0.31 -0.10 0.18 0.00 -0.39 0.00 0.00 64.86 64.86 2kix h ILE 10 Cb 0.26 0.37 -0.16 0.00 -3.07 0.00 0.00 36.82 34.21 2kix h ILE 10 CO -0.10 0.01 -0.19 0.28 -0.69 0.00 0.00 178.15 177.46 2kix h SER 11 N -0.94 -0.75 -0.79 1.72 0.02 -1.19 0.90 113.55 112.52 2kix h SER 11 Ca -0.09 0.25 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2kix h SER 11 Cb 0.69 0.52 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 2kix h SER 11 CO 0.15 -0.28 0.52 -1.28 -1.14 0.00 0.00 176.83 174.79 2kix h SER 12 N 0.01 0.68 -0.39 3.07 0.87 -1.25 -0.89 113.55 115.64 2kix h SER 12 Ca 0.42 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.92 2kix h SER 12 Cb 0.66 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2kix h SER 12 CO -0.87 0.42 -0.02 0.15 -0.53 0.00 0.00 176.83 175.98 2kix h PHE 13 N 0.76 0.85 -0.42 2.24 3.57 0.13 -1.07 116.94 123.00 2kix h PHE 13 Ca 0.36 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2kix h PHE 13 Cb 0.39 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kix h PHE 13 CO -0.00 0.79 -0.03 0.82 -2.23 0.00 0.00 178.31 177.66 2kix h ILE 14 N 0.74 1.27 -0.21 1.41 2.04 -0.29 -2.71 117.51 119.75 2kix h ILE 14 Ca 0.14 -1.08 -0.14 0.00 1.00 0.00 0.00 64.86 64.79 2kix h ILE 14 Cb 0.47 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2kix h ILE 14 CO 0.02 0.37 -0.44 -0.07 0.00 0.00 0.00 178.15 178.02 2kix h LEU 15 N 0.59 0.56 -0.15 1.44 3.38 -1.20 -1.52 115.31 118.40 2kix h LEU 15 Ca 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kix h LEU 15 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kix h LEU 15 CO 0.03 0.93 0.09 0.77 0.09 0.00 0.00 178.44 180.34 2kix h SER 16 N 0.42 0.19 0.01 -0.43 4.64 -1.06 0.31 113.55 117.63 2kix h SER 16 Ca 0.03 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2kix h SER 16 Cb 0.95 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2kix h SER 16 CO 0.08 0.19 -0.01 0.00 -0.87 0.00 0.00 176.83 176.23 2kix h ALA 17 N 1.00 -0.02 -0.73 5.18 0.00 -1.46 -1.13 119.26 122.10 2kix h ALA 17 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kix h ALA 17 Cb 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2kix h ALA 17 CO -0.01 -0.25 0.38 1.25 0.00 0.00 0.00 179.25 180.62 2kix h LEU 18 N -0.54 0.52 -0.90 0.00 5.85 -1.23 -0.16 115.31 118.85 2kix h LEU 18 Ca -0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2kix h LEU 18 Cb 0.52 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2kix h LEU 18 CO 0.00 0.30 0.10 -0.74 -0.34 0.00 0.00 178.44 177.77 2kix h HIS 19 N 0.65 0.96 0.28 1.25 2.76 -0.33 0.44 115.15 121.16 2kix h HIS 19 Ca 0.35 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2kix h HIS 19 Cb 0.34 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2kix h HIS 19 CO -0.09 0.82 -0.15 0.35 -1.30 0.00 0.00 177.93 177.56 2kix h PHE 20 N 0.87 -0.38 -0.10 5.26 3.57 0.27 0.26 116.94 126.69 2kix h PHE 20 Ca 0.18 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 2kix h PHE 20 Cb 0.37 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2kix h PHE 20 CO 0.02 -0.23 -0.40 0.82 -2.23 0.00 0.00 178.31 176.29 2kix h ILE 21 N -0.40 1.38 -0.74 1.41 2.04 -1.19 -2.58 117.51 117.44 2kix h ILE 21 Ca -0.04 -1.73 0.06 0.00 1.00 0.00 0.00 64.86 64.15 2kix h ILE 21 Cb 0.31 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 2kix h ILE 21 CO 0.05 0.51 0.44 0.00 0.00 0.00 0.00 178.15 179.15 2kix h ALA 22 N 0.48 0.99 -0.52 1.87 0.00 -0.07 0.06 119.26 122.07 2kix h ALA 22 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kix h ALA 22 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2kix h ALA 22 CO 0.08 0.15 0.20 2.35 0.00 0.00 0.00 179.25 182.03 2kix h TRP 23 N 0.81 0.79 -0.22 0.00 2.91 -0.47 0.54 115.95 120.30 2kix h TRP 23 Ca 0.32 -0.06 -0.05 0.00 1.13 0.00 0.00 58.89 60.23 2kix h TRP 23 Cb 0.16 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 2kix h TRP 23 CO -0.06 0.66 -0.09 1.15 -1.03 0.00 0.00 178.44 179.07 2kix h THR 24 N 0.70 1.19 0.10 2.65 2.02 -0.92 0.29 112.91 118.94 2kix h THR 24 Ca 0.17 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2kix h THR 24 Cb 0.21 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2kix h THR 24 CO -0.01 0.26 -0.05 0.40 0.37 0.00 0.00 175.52 176.49 2kix h ILE 25 N 0.33 0.12 -0.47 3.11 2.04 -0.52 -2.06 117.51 120.07 2kix h ILE 25 Ca 0.07 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 2kix h ILE 25 Cb 0.37 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2kix h ILE 25 CO 0.02 0.04 0.16 1.23 0.00 0.00 0.00 178.15 179.59 2kix h GLY 26 N -1.03 0.73 0.43 5.37 0.00 -0.94 -0.44 103.07 107.19 2kix h GLY 26 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2kix h GLY 26 CO 0.02 0.35 -0.00 0.84 0.00 0.00 0.00 176.54 177.75 2kix h HIS 27 N 0.67 -0.00 -0.65 5.60 -0.00 -0.54 -2.98 115.15 117.23 2kix h HIS 27 Ca 0.16 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.56 2kix h HIS 27 Cb 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 2kix h HIS 27 CO 0.01 0.56 0.43 1.25 -0.00 0.00 0.00 177.93 180.18 2kix h LEU 28 N -0.57 0.66 -1.36 0.26 6.46 -1.22 -0.99 115.31 118.55 2kix h LEU 28 Ca -0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kix h LEU 28 Cb 0.57 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2kix h LEU 28 CO 0.00 0.45 0.41 0.78 -0.62 0.00 0.00 178.44 179.47 2kix h ASN 29 N 0.77 0.74 -0.41 1.25 -0.26 -1.02 -2.26 115.58 114.38 2kix h ASN 29 Ca 0.26 -0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.00 2kix h ASN 29 Cb 0.09 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 2kix h ASN 29 CO -0.07 0.54 0.22 -0.61 -1.06 0.00 0.00 177.43 176.45 2kix h GLN 30 N 0.87 0.43 -2.32 0.81 5.75 -1.02 -2.56 115.11 117.06 2kix h GLN 30 Ca 0.23 -0.03 -0.68 0.00 -0.15 0.00 0.00 58.65 58.03 2kix h GLN 30 Cb -0.08 -0.10 -0.17 0.00 1.07 0.00 0.00 27.48 28.19 2kix h GLN 30 CO -0.05 0.28 1.48 1.51 -2.65 0.00 0.00 178.83 179.40 2kix n ILE 31 N -4.89 4.65 0.00 2.39 3.06 -0.85 -4.40 119.36 119.32 2kix n ILE 31 Ca 0.02 -4.17 0.00 0.00 -2.50 0.00 0.00 62.75 56.10 2kix n ILE 31 Cb 0.08 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.49 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 1.00 0.00 -0.30 9.51 4.81 -1.00 -5.00 118.16 127.18 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