#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkw n GLN 3 N 0.00 2.99 0.00 -3.83 1.13 -1.26 -4.69 117.38 111.72 2fkw n GLN 3 Ca 0.00 -3.06 0.13 0.00 -1.94 0.00 0.00 57.00 52.13 2fkw n GLN 3 Cb 0.00 -2.19 0.77 0.00 0.11 0.00 0.00 30.24 28.94 2fkw n GLN 3 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fkw n GLY 4 N -0.65 -0.87 1.25 1.08 0.00 -1.26 -1.18 105.19 103.57 2fkw n GLY 4 Ca 0.49 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2fkw n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fkw n LYS 5 N -0.97 2.60 -0.25 1.61 5.02 -1.26 -4.43 118.16 120.48 2fkw n LYS 5 Ca 0.20 -2.46 0.10 0.00 -2.02 0.00 0.00 58.31 54.13 2fkw n LYS 5 Cb 0.09 -1.54 0.36 0.00 -0.02 0.00 0.00 35.03 33.92 2fkw n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2fkw h ILE 6 N 4.32 0.90 -0.06 -0.18 6.09 -1.54 -0.20 117.51 126.84 2fkw h ILE 6 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2fkw h ILE 6 Cb 0.97 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.37 2fkw h ILE 6 CO 0.00 0.13 0.00 0.79 -3.07 0.00 0.00 178.15 176.00 2fkw n TRP 7 N -4.53 0.07 0.81 2.19 7.02 -1.26 -1.04 117.44 120.70 2fkw n TRP 7 Ca 0.15 -0.04 0.12 0.00 -1.02 0.00 0.00 57.50 56.71 2fkw n TRP 7 Cb 0.38 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.43 2fkw n TRP 7 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2fkw n THR 8 N -0.38 0.12 -0.01 -0.99 -2.24 -0.09 -4.48 114.28 106.21 2fkw n THR 8 Ca 0.05 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 2fkw n THR 8 Cb 0.07 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2fkw n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2fkw n VAL 9 N -1.74 0.16 -4.03 2.28 0.24 -0.58 -4.99 118.33 109.66 2fkw n VAL 9 Ca 0.04 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 2fkw n VAL 9 Cb 0.38 -0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 31.75 2fkw n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fkw s VAL 10 N -2.06 4.95 -0.31 3.34 1.01 -0.21 -5.05 120.40 122.07 2fkw s VAL 10 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2fkw s VAL 10 Cb 0.01 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2fkw s VAL 10 CO 0.09 0.54 1.16 0.21 0.00 0.00 0.00 175.10 177.11 2fkw s ASN 11 N -0.37 6.83 0.59 3.32 3.84 -1.26 -4.29 114.94 123.61 2fkw s ASN 11 Ca 0.10 1.11 0.35 0.00 0.21 0.00 0.00 52.86 54.63 2fkw s ASN 11 Cb -0.12 -2.54 1.82 0.00 -0.55 0.00 0.00 41.25 39.86 2fkw s ASN 11 CO 0.02 -0.96 2.18 1.55 -2.79 0.00 0.00 177.10 177.10 2fkw h PRO 12 N 8.55 0.00 0.00 0.43 0.13 -1.95 0.35 132.00 139.51 2fkw h PRO 12 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2fkw h PRO 12 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2fkw h PRO 12 CO 1.03 0.04 -0.05 0.00 -0.23 0.00 0.00 178.00 178.80 2fkw h ALA 13 N 1.96 1.90 0.03 -0.56 0.00 -2.00 -1.63 119.26 118.96 2fkw h ALA 13 Ca -0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 2fkw h ALA 13 Cb 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2fkw h ALA 13 CO 0.01 0.06 -2.11 -0.89 0.00 0.00 0.00 179.25 176.31 2fkw n ILE 14 N -4.44 1.58 0.02 0.00 2.08 -0.50 -4.61 119.36 113.49 2fkw n ILE 14 Ca -0.03 -0.41 -0.08 0.00 0.56 0.00 0.00 62.75 62.79 2fkw n ILE 14 Cb 0.13 -1.77 0.08 0.00 -0.75 0.00 0.00 39.64 37.34 2fkw n ILE 14 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2fkw h GLY 15 N 0.26 0.53 0.66 7.39 0.00 -0.84 -1.87 103.07 109.19 2fkw h GLY 15 Ca -0.53 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.18 2fkw h GLY 15 CO -0.17 0.54 -0.04 -2.22 0.00 0.00 0.00 176.54 174.65 2fkw h ILE 16 N 0.38 1.33 -0.73 2.60 2.04 -1.55 -0.02 117.51 121.57 2fkw h ILE 16 Ca 0.01 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.86 2fkw h ILE 16 Cb 1.05 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 2fkw h ILE 16 CO 0.10 0.30 0.48 -0.65 0.00 0.00 0.00 178.15 178.37 2fkw h PRO 17 N -0.23 0.76 -0.21 2.37 0.11 -1.76 -0.58 132.00 132.46 2fkw h PRO 17 Ca 0.02 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 2fkw h PRO 17 Cb 0.49 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2fkw h PRO 17 CO 0.01 0.50 -0.42 0.00 -0.21 0.00 0.00 178.00 177.88 2fkw h ALA 18 N 1.60 0.88 0.36 -0.75 0.00 -1.17 0.84 119.26 121.02 2fkw h ALA 18 Ca 0.31 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2fkw h ALA 18 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fkw h ALA 18 CO -0.10 0.64 -0.17 1.25 0.00 0.00 0.00 179.25 180.87 2fkw h LEU 19 N 0.41 -0.41 -0.83 0.00 5.85 -0.61 -0.81 115.31 118.91 2fkw h LEU 19 Ca 0.03 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2fkw h LEU 19 Cb 0.91 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2fkw h LEU 19 CO 0.08 -0.09 0.37 -0.07 -0.34 0.00 0.00 178.44 178.39 2fkw h LEU 20 N -0.75 1.11 -0.41 2.25 3.38 -1.01 -0.68 115.31 119.20 2fkw h LEU 20 Ca -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2fkw h LEU 20 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2fkw h LEU 20 CO 0.08 0.96 0.18 1.23 0.09 0.00 0.00 178.44 180.98 2fkw h GLY 21 N 1.19 0.65 1.01 0.83 0.00 -0.87 -2.08 103.07 103.80 2fkw h GLY 21 Ca 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2fkw h GLY 21 CO -0.03 0.32 0.30 1.76 0.00 0.00 0.00 176.54 178.89 2fkw h SER 22 N 0.52 0.90 -0.61 0.19 0.02 -0.64 0.63 113.55 114.55 2fkw h SER 22 Ca 0.14 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2fkw h SER 22 Cb 0.15 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2fkw h SER 22 CO -0.01 0.79 0.08 0.58 -1.14 0.00 0.00 176.83 177.13 2fkw h VAL 23 N 0.94 1.26 -0.70 2.27 2.07 -1.01 -1.19 116.25 119.89 2fkw h VAL 23 Ca 0.23 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2fkw h VAL 23 Cb 0.15 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2fkw h VAL 23 CO -0.03 0.38 0.26 0.74 0.02 0.00 0.00 177.57 178.94 2fkw h THR 24 N 0.93 1.25 -0.67 2.57 2.02 -0.90 -1.39 112.91 116.72 2fkw h THR 24 Ca 0.18 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 2fkw h THR 24 Cb 0.45 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2fkw h THR 24 CO 0.01 0.32 0.12 0.58 0.37 0.00 0.00 175.52 176.92 2fkw h VAL 25 N 1.00 1.26 -0.06 3.16 2.07 -0.44 -0.88 116.25 122.36 2fkw h VAL 25 Ca 0.23 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2fkw h VAL 25 Cb 0.24 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2fkw h VAL 25 CO -0.02 0.38 0.03 0.40 0.02 0.00 0.00 177.57 178.39 2fkw h ILE 26 N 1.02 1.12 -0.53 4.57 2.04 -1.00 0.31 117.51 125.03 2fkw h ILE 26 Ca 0.20 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2fkw h ILE 26 Cb 0.43 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2fkw h ILE 26 CO 0.01 0.10 0.08 0.00 0.00 0.00 0.00 178.15 178.34 2fkw h ALA 27 N 0.89 0.59 -0.41 1.87 0.00 -1.11 0.68 119.26 121.77 2fkw h ALA 27 Ca 0.02 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2fkw h ALA 27 Cb 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2fkw h ALA 27 CO -0.00 -0.33 0.21 0.82 0.00 0.00 0.00 179.25 179.96 2fkw h ILE 28 N 0.21 0.99 -0.27 0.00 2.04 -0.64 -0.72 117.51 119.11 2fkw h ILE 28 Ca 0.27 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2fkw h ILE 28 Cb 0.39 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2fkw h ILE 28 CO -0.37 0.08 0.14 -0.07 0.00 0.00 0.00 178.15 177.93 2fkw h LEU 29 N 0.43 0.35 -0.34 1.44 3.38 0.10 -0.77 115.31 119.90 2fkw h LEU 29 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2fkw h LEU 29 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2fkw h LEU 29 CO -0.11 0.36 0.18 0.58 0.09 0.00 0.00 178.44 179.54 2fkw h VAL 30 N 0.32 1.14 -0.62 1.22 2.07 -0.75 0.36 116.25 119.99 2fkw h VAL 30 Ca 0.10 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2fkw h VAL 30 Cb 0.09 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2fkw h VAL 30 CO -0.01 0.15 0.29 0.45 0.02 0.00 0.00 177.57 178.47 2fkw h HIS 31 N 0.43 0.52 -0.60 1.57 3.86 -0.89 -0.77 115.15 119.28 2fkw h HIS 31 Ca 0.12 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 2fkw h HIS 31 Cb 0.07 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2fkw h HIS 31 CO -0.03 0.21 -0.01 -0.07 0.86 0.00 0.00 177.93 178.89 2fkw h LEU 32 N 0.53 1.04 -0.19 2.43 3.38 -0.62 -0.61 115.31 121.28 2fkw h LEU 32 Ca 0.29 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2fkw h LEU 32 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2fkw h LEU 32 CO -0.23 1.10 0.05 0.00 0.09 0.00 0.00 178.44 179.44 2fkw h ALA 33 N 0.98 0.19 -0.38 1.53 0.00 0.47 -1.38 119.26 120.67 2fkw h ALA 33 Ca 0.17 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2fkw h ALA 33 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2fkw h ALA 33 CO 0.03 -0.39 -0.31 0.82 0.00 0.00 0.00 179.25 179.40 2fkw h ILE 34 N 0.13 1.28 -0.69 0.00 2.04 -0.97 -2.04 117.51 117.25 2fkw h ILE 34 Ca 0.08 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.53 2fkw h ILE 34 Cb 0.07 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2fkw h ILE 34 CO -0.10 0.49 0.46 0.25 0.00 0.00 0.00 178.15 179.25 2fkw h LEU 35 N 0.70 0.65 0.00 1.44 5.85 -0.95 -1.87 115.31 121.13 2fkw h LEU 35 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2fkw h LEU 35 Cb 0.87 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2fkw h LEU 35 CO 0.08 0.43 -0.32 0.28 -0.34 0.00 0.00 178.44 178.56 2fkw h SER 36 N 0.74 0.00 -0.03 1.25 0.02 -0.73 -3.37 113.55 111.44 2fkw h SER 36 Ca 0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2fkw h SER 36 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2fkw h SER 36 CO -0.09 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.01 2fkw n HIS 37 N -2.93 0.06 -4.21 3.45 8.25 -0.81 -5.01 115.22 114.01 2fkw n HIS 37 Ca 0.03 -0.67 -0.14 0.00 -0.26 0.00 0.00 57.72 56.68 2fkw n HIS 37 Cb 0.53 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 2fkw n HIS 37 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2fkw s THR 38 N -1.67 1.02 -0.16 1.59 -4.23 -0.76 -5.02 115.64 106.41 2fkw s THR 38 Ca 0.13 -1.91 0.20 0.00 -1.18 0.00 0.00 61.69 58.94 2fkw s THR 38 Cb 0.11 -1.67 -0.11 0.00 1.34 0.00 0.00 72.50 72.17 2fkw s THR 38 CO 0.02 -0.71 0.83 0.35 -0.54 0.00 0.00 174.62 174.58 2fkw n THR 39 N 0.07 0.73 0.08 3.99 -2.24 -1.26 -4.47 114.28 111.17 2fkw n THR 39 Ca -0.12 -0.60 -0.05 0.00 -2.27 0.00 0.00 64.05 61.01 2fkw n THR 39 Cb 0.60 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 2fkw n THR 39 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2fkw h TRP 40 N 0.00 0.00 0.05 4.78 5.08 -1.94 -1.78 115.95 122.13 2fkw h TRP 40 Ca -0.08 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.89 2fkw h TRP 40 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2fkw h TRP 40 CO 0.00 0.89 -0.02 0.35 -1.28 0.00 0.00 178.44 178.38 2fkw h PHE 41 N 0.00 -0.06 -0.87 0.12 3.04 -1.88 0.38 116.94 117.67 2fkw h PHE 41 Ca -0.01 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.01 2fkw h PHE 41 Cb 1.68 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 40.16 2fkw h PHE 41 CO 0.00 0.41 0.57 -1.35 -2.02 0.00 0.00 178.31 175.91 2fkw h PRO 42 N -0.55 0.91 0.00 6.41 0.11 -1.79 -2.09 132.00 135.01 2fkw h PRO 42 Ca -0.01 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 2fkw h PRO 42 Cb 0.49 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2fkw h PRO 42 CO 0.01 0.61 -0.46 0.00 -0.21 0.00 0.00 178.00 177.95 2fkw h ALA 43 N 1.54 1.12 -0.32 -0.75 0.00 -1.17 0.47 119.26 120.15 2fkw h ALA 43 Ca 0.38 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2fkw h ALA 43 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2fkw h ALA 43 CO -0.15 0.57 0.20 -0.92 0.00 0.00 0.00 179.25 178.95 2fkw h TYR 44 N 0.00 0.37 -0.15 0.00 3.20 -0.21 -1.88 116.97 118.29 2fkw h TYR 44 Ca -0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 2fkw h TYR 44 Cb 0.88 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2fkw h TYR 44 CO 0.00 0.22 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.69 2fkw h TRP 45 N 0.40 0.59 -0.86 -3.82 6.55 -1.15 -3.16 115.95 114.50 2fkw h TRP 45 Ca 0.12 -0.21 0.03 0.00 0.95 0.00 0.00 58.89 59.78 2fkw h TRP 45 Cb -0.02 -0.11 -0.05 0.00 -0.86 0.00 0.00 29.16 28.12 2fkw h TRP 45 CO -0.07 0.92 0.57 0.37 -1.05 0.00 0.00 178.44 179.18 2fkw h GLN 46 N 0.36 1.05 0.00 0.49 5.75 0.26 -3.48 115.11 119.54 2fkw h GLN 46 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2fkw h GLN 46 Cb 1.09 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2fkw h GLN 46 CO 0.10 0.69 0.00 0.41 -2.65 0.00 0.00 178.83 177.38 2fkw n GLY 47 N -1.40 1.17 3.99 2.39 0.00 -0.74 -4.91 105.19 105.69 2fkw n GLY 47 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2fkw n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fkw n GLY 48 N 0.00 2.59 3.46 -0.02 0.00 -1.26 -4.93 105.19 105.02 2fkw n GLY 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2fkw n GLY 48 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2fkw n VAL 49 N -1.89 3.89 0.00 1.61 3.14 -1.26 -4.93 118.33 118.90 2fkw n VAL 49 Ca 0.00 -3.98 0.00 0.00 -2.96 0.00 0.00 64.34 57.40 2fkw n VAL 49 Cb 0.00 -2.39 0.00 0.00 -1.06 0.00 0.00 33.84 30.39 2fkw n VAL 49 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2fkw n LYS 50 N 8.01 0.00 -2.84 1.45 4.76 -1.26 -4.99 118.16 123.29 2fkw n LYS 50 Ca 0.49 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.82 2fkw n LYS 50 Cb 0.45 -0.05 0.06 0.00 -1.84 0.00 0.00 35.03 33.64 2fkw n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fkw n LYS 51 N 0.00 1.05 -4.30 1.97 4.76 -1.26 -5.11 118.16 115.27 2fkw n LYS 51 Ca 0.00 -2.40 -0.27 0.00 -2.87 0.00 0.00 58.31 52.76 2fkw n LYS 51 Cb 0.00 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.03 2fkw n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fkw s ALA 52 N -0.74 2.85 -2.90 7.82 0.00 -1.26 -5.37 121.76 122.17 2fkw s ALA 52 Ca 0.27 -1.46 0.25 0.00 0.00 0.00 0.00 51.96 51.02 2fkw s ALA 52 Cb 0.34 -0.68 0.37 0.00 0.00 0.00 0.00 23.12 23.14 2fkw s ALA 52 CO -0.06 0.50 1.36 0.00 0.00 0.00 0.00 175.76 177.56