#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkz n GLN 3 N 0.00 3.69 0.00 -3.83 1.13 -1.26 -4.72 117.38 112.40 1nkz n GLN 3 Ca 0.00 -2.88 0.04 0.00 -1.94 0.00 0.00 57.00 52.22 1nkz n GLN 3 Cb 0.00 -1.93 0.19 0.00 0.11 0.00 0.00 30.24 28.61 1nkz n GLN 3 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nkz n GLY 4 N 0.25 -0.53 0.84 1.08 0.00 -1.26 -1.26 105.19 104.32 1nkz n GLY 4 Ca 0.23 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1nkz n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nkz n LYS 5 N -1.29 2.06 -0.12 1.61 5.02 -1.26 -4.56 118.16 119.62 1nkz n LYS 5 Ca 0.04 -1.64 0.06 0.00 -2.02 0.00 0.00 58.31 54.75 1nkz n LYS 5 Cb 0.06 -1.38 0.38 0.00 -0.02 0.00 0.00 35.03 34.08 1nkz n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1nkz h ILE 6 N 2.78 1.04 -0.00 -0.18 6.09 -1.58 -1.79 117.51 123.88 1nkz h ILE 6 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1nkz h ILE 6 Cb 0.63 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.23 1nkz h ILE 6 CO 0.00 0.12 0.00 0.79 -3.07 0.00 0.00 178.15 175.99 1nkz n TRP 7 N -4.47 0.00 0.41 2.19 7.02 -1.26 -0.65 117.44 120.68 1nkz n TRP 7 Ca 0.08 -0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.69 1nkz n TRP 7 Cb 0.18 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.40 1nkz n TRP 7 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1nkz h THR 8 N 0.10 0.00 0.00 -0.99 1.35 -1.66 -3.40 112.91 108.31 1nkz h THR 8 Ca 0.00 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 65.09 1nkz h THR 8 Cb 0.02 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 1nkz h THR 8 CO 0.00 0.00 -1.33 1.33 -0.25 0.00 0.00 175.52 175.27 1nkz n VAL 9 N -2.68 0.33 -3.53 6.82 0.24 -0.54 -4.97 118.33 113.99 1nkz n VAL 9 Ca 0.04 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 61.85 1nkz n VAL 9 Cb 0.45 -0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 32.03 1nkz n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1nkz s VAL 10 N -2.11 5.29 -0.13 3.34 1.01 0.17 -5.04 120.40 122.92 1nkz s VAL 10 Ca -0.08 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1nkz s VAL 10 Cb 0.02 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1nkz s VAL 10 CO 0.13 0.34 1.97 0.21 0.00 0.00 0.00 175.10 177.76 1nkz s ASN 11 N 0.78 6.03 0.55 3.32 3.84 -1.26 -4.32 114.94 123.89 1nkz s ASN 11 Ca 0.15 2.08 0.33 0.00 0.21 0.00 0.00 52.86 55.62 1nkz s ASN 11 Cb -0.13 -2.52 1.47 0.00 -0.55 0.00 0.00 41.25 39.51 1nkz s ASN 11 CO 0.05 -1.47 2.03 1.55 -2.79 0.00 0.00 177.10 176.46 1nkz h PRO 12 N 12.41 0.00 0.00 0.43 0.13 -1.96 0.15 132.00 143.16 1nkz h PRO 12 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1nkz h PRO 12 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nkz h PRO 12 CO 0.97 0.05 -0.06 0.00 -0.23 0.00 0.00 178.00 178.72 1nkz h ALA 13 N 1.95 1.50 0.01 -0.56 0.00 -2.00 -1.47 119.26 118.70 1nkz h ALA 13 Ca -0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.45 1nkz h ALA 13 Cb 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1nkz h ALA 13 CO 0.01 0.08 -2.32 -0.89 0.00 0.00 0.00 179.25 176.12 1nkz n ILE 14 N -3.89 1.54 -0.18 0.00 2.08 -0.54 -4.60 119.36 113.78 1nkz n ILE 14 Ca -0.03 -0.45 -0.07 0.00 0.56 0.00 0.00 62.75 62.77 1nkz n ILE 14 Cb 0.15 -1.71 0.02 0.00 -0.75 0.00 0.00 39.64 37.35 1nkz n ILE 14 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1nkz h GLY 15 N 0.35 0.76 0.75 7.39 0.00 -0.66 -1.67 103.07 109.99 1nkz h GLY 15 Ca -0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1nkz h GLY 15 CO -0.22 0.30 0.00 -2.22 0.00 0.00 0.00 176.54 174.41 1nkz h ILE 16 N 0.71 1.23 -0.93 2.60 2.04 -1.51 -0.44 117.51 121.21 1nkz h ILE 16 Ca 0.19 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1nkz h ILE 16 Cb -0.03 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1nkz h ILE 16 CO -0.04 0.19 0.61 -0.65 0.00 0.00 0.00 178.15 178.27 1nkz h PRO 17 N -0.18 1.12 -0.79 2.37 0.11 -1.76 -1.10 132.00 131.78 1nkz h PRO 17 Ca 0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1nkz h PRO 17 Cb 0.30 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.12 1nkz h PRO 17 CO 0.00 0.74 0.40 0.00 -0.21 0.00 0.00 178.00 178.93 1nkz h ALA 18 N 1.46 1.02 0.16 -0.75 0.00 -1.15 -0.24 119.26 119.75 1nkz h ALA 18 Ca 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nkz h ALA 18 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1nkz h ALA 18 CO -0.12 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 180.87 1nkz h LEU 19 N 1.11 -0.18 -0.52 0.00 5.85 -0.68 0.22 115.31 121.11 1nkz h LEU 19 Ca 0.27 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1nkz h LEU 19 Cb 0.09 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1nkz h LEU 19 CO -0.04 -0.07 0.17 -0.07 -0.34 0.00 0.00 178.44 178.09 1nkz h LEU 20 N -0.27 0.75 -0.60 2.25 3.38 -1.06 -1.04 115.31 118.71 1nkz h LEU 20 Ca -0.02 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1nkz h LEU 20 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1nkz h LEU 20 CO 0.04 0.75 0.14 1.23 0.09 0.00 0.00 178.44 180.69 1nkz h GLY 21 N 0.71 1.04 0.93 0.83 0.00 -1.01 -2.37 103.07 103.20 1nkz h GLY 21 Ca 0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1nkz h GLY 21 CO -0.01 0.62 0.12 1.76 0.00 0.00 0.00 176.54 179.03 1nkz h SER 22 N 0.88 0.32 -0.89 0.19 0.02 -0.61 -0.89 113.55 112.57 1nkz h SER 22 Ca 0.19 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1nkz h SER 22 Cb 0.36 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1nkz h SER 22 CO 0.00 0.34 0.57 0.58 -1.14 0.00 0.00 176.83 177.19 1nkz h VAL 23 N 0.27 1.11 -0.42 2.27 2.07 -1.17 -1.41 116.25 118.98 1nkz h VAL 23 Ca 0.09 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1nkz h VAL 23 Cb 0.10 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1nkz h VAL 23 CO -0.01 0.20 -0.01 0.74 0.02 0.00 0.00 177.57 178.50 1nkz h THR 24 N 1.08 1.26 -0.47 2.57 2.02 -1.15 -1.97 112.91 116.26 1nkz h THR 24 Ca 0.37 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.54 1nkz h THR 24 Cb 0.06 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1nkz h THR 24 CO -0.14 0.36 0.22 0.58 0.37 0.00 0.00 175.52 176.91 1nkz h VAL 25 N 0.59 0.94 -0.68 3.16 2.07 -0.87 -1.32 116.25 120.13 1nkz h VAL 25 Ca 0.12 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1nkz h VAL 25 Cb 0.50 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1nkz h VAL 25 CO 0.02 0.08 0.45 0.40 0.02 0.00 0.00 177.57 178.54 1nkz h ILE 26 N 0.44 1.16 -0.78 4.57 2.04 -1.05 -0.41 117.51 123.47 1nkz h ILE 26 Ca 0.21 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1nkz h ILE 26 Cb 0.14 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1nkz h ILE 26 CO -0.16 0.16 0.44 0.00 0.00 0.00 0.00 178.15 178.60 1nkz h ALA 27 N 1.26 1.00 -0.25 1.87 0.00 -0.99 -0.22 119.26 121.93 1nkz h ALA 27 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nkz h ALA 27 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1nkz h ALA 27 CO -0.07 0.49 0.09 0.82 0.00 0.00 0.00 179.25 180.58 1nkz h ILE 28 N 1.07 1.18 -0.78 0.00 2.04 -0.79 -2.07 117.51 118.17 1nkz h ILE 28 Ca 0.28 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1nkz h ILE 28 Cb 0.00 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1nkz h ILE 28 CO -0.05 0.19 0.50 -0.07 0.00 0.00 0.00 178.15 178.72 1nkz h LEU 29 N 0.25 0.91 -0.64 1.44 3.38 -0.60 -0.89 115.31 119.15 1nkz h LEU 29 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nkz h LEU 29 Cb 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nkz h LEU 29 CO -0.00 0.68 0.27 0.58 0.09 0.00 0.00 178.44 180.06 1nkz h VAL 30 N 1.06 1.23 0.05 1.22 2.07 -0.93 -0.94 116.25 120.00 1nkz h VAL 30 Ca 0.28 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1nkz h VAL 30 Cb -0.09 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1nkz h VAL 30 CO -0.06 0.28 -0.06 0.45 0.02 0.00 0.00 177.57 178.21 1nkz h HIS 31 N 0.90 -0.14 -0.42 1.57 3.86 -1.03 -1.86 115.15 118.03 1nkz h HIS 31 Ca 0.22 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1nkz h HIS 31 Cb 0.18 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1nkz h HIS 31 CO 0.01 -0.09 -0.10 -0.07 0.86 0.00 0.00 177.93 178.54 1nkz h LEU 32 N -0.12 0.72 -0.09 2.43 3.38 -1.05 -1.36 115.31 119.21 1nkz h LEU 32 Ca 0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1nkz h LEU 32 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1nkz h LEU 32 CO -0.02 0.86 0.05 0.00 0.09 0.00 0.00 178.44 179.41 1nkz h ALA 33 N 1.21 0.12 -0.71 1.53 0.00 -1.04 -1.88 119.26 118.50 1nkz h ALA 33 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nkz h ALA 33 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1nkz h ALA 33 CO 0.04 -0.35 0.38 0.82 0.00 0.00 0.00 179.25 180.14 1nkz h ILE 34 N 0.07 1.22 -0.98 0.00 2.04 -1.10 -1.83 117.51 116.92 1nkz h ILE 34 Ca 0.03 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.41 1nkz h ILE 34 Cb 0.07 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1nkz h ILE 34 CO -0.01 0.25 0.63 0.25 0.00 0.00 0.00 178.15 179.27 1nkz h LEU 35 N 0.98 0.97 0.00 1.44 5.85 -1.14 -1.86 115.31 121.55 1nkz h LEU 35 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1nkz h LEU 35 Cb 0.05 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1nkz h LEU 35 CO -0.04 0.60 -0.30 0.28 -0.34 0.00 0.00 178.44 178.64 1nkz h SER 36 N 1.09 0.00 0.00 1.25 0.02 -1.03 -3.36 113.55 111.51 1nkz h SER 36 Ca 0.44 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nkz h SER 36 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1nkz h SER 36 CO -0.19 0.05 -0.06 1.41 -1.14 0.00 0.00 176.83 176.90 1nkz n HIS 37 N -2.22 0.00 -4.30 3.45 8.25 -0.72 -5.01 115.22 114.68 1nkz n HIS 37 Ca 0.04 -0.52 -0.16 0.00 -0.26 0.00 0.00 57.72 56.82 1nkz n HIS 37 Cb 0.44 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 1nkz n HIS 37 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1nkz s THR 38 N -1.33 1.46 -0.09 1.59 -4.23 -0.74 -5.02 115.64 107.28 1nkz s THR 38 Ca 0.10 -2.12 0.15 0.00 -1.18 0.00 0.00 61.69 58.64 1nkz s THR 38 Cb 0.09 -1.93 -0.12 0.00 1.34 0.00 0.00 72.50 71.88 1nkz s THR 38 CO 0.01 -0.66 0.95 0.71 -0.54 0.00 0.00 174.62 175.09 1nkz h THR 39 N 2.71 0.73 0.00 3.99 1.35 -1.89 -3.41 112.91 116.39 1nkz h THR 39 Ca -0.37 -2.28 -0.10 0.00 -0.55 0.00 0.00 66.41 63.11 1nkz h THR 39 Cb 1.21 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 1nkz h THR 39 CO 0.62 0.41 -0.49 4.11 -0.25 0.00 0.00 175.52 179.93 1nkz h TRP 40 N 0.00 0.00 0.03 4.73 5.08 -1.95 -1.99 115.95 121.84 1nkz h TRP 40 Ca -0.14 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.83 1nkz h TRP 40 Cb 1.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.80 1nkz h TRP 40 CO 0.00 0.49 -0.01 0.35 -1.28 0.00 0.00 178.44 177.98 1nkz h PHE 41 N 0.00 -0.03 -0.99 0.12 3.57 -1.88 -1.45 116.94 116.27 1nkz h PHE 41 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1nkz h PHE 41 Cb 1.19 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.86 1nkz h PHE 41 CO 0.00 0.64 0.63 -1.35 -2.23 0.00 0.00 178.31 176.00 1nkz h PRO 42 N -0.77 1.01 -0.26 6.41 0.11 -1.79 -2.15 132.00 134.55 1nkz h PRO 42 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1nkz h PRO 42 Cb 0.69 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1nkz h PRO 42 CO 0.01 0.67 0.11 0.00 -0.21 0.00 0.00 178.00 178.58 1nkz h ALA 43 N 1.51 1.72 -0.38 -0.75 0.00 -1.25 -0.22 119.26 119.89 1nkz h ALA 43 Ca 0.47 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1nkz h ALA 43 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nkz h ALA 43 CO -0.24 0.23 0.23 -0.92 0.00 0.00 0.00 179.25 178.56 1nkz h TYR 44 N 0.36 0.44 -0.36 0.00 3.20 -0.58 -1.31 116.97 118.73 1nkz h TYR 44 Ca 0.09 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 1nkz h TYR 44 Cb 0.06 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1nkz h TYR 44 CO 0.00 0.27 -0.42 -1.49 -1.64 0.00 0.00 178.16 174.88 1nkz h TRP 45 N 0.47 1.08 -0.61 -3.82 6.55 -1.33 -3.15 115.95 115.15 1nkz h TRP 45 Ca 0.14 -0.34 -0.01 0.00 0.95 0.00 0.00 58.89 59.64 1nkz h TRP 45 Cb -0.02 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.02 1nkz h TRP 45 CO -0.06 1.16 0.35 0.37 -1.05 0.00 0.00 178.44 179.20 1nkz h GLN 46 N 0.72 0.82 0.00 0.49 5.75 -0.85 -3.47 115.11 118.57 1nkz h GLN 46 Ca 0.05 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1nkz h GLN 46 Cb 1.01 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1nkz h GLN 46 CO 0.10 0.59 0.00 0.41 -2.65 0.00 0.00 178.83 177.28 1nkz n GLY 47 N -1.32 1.66 2.42 2.39 0.00 -0.51 -4.89 105.19 104.94 1nkz n GLY 47 Ca 0.06 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 1nkz n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkz n GLY 48 N 0.00 -0.10 3.90 -0.02 0.00 -1.26 -5.00 105.19 102.70 1nkz n GLY 48 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nkz n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nkz s VAL 49 N -2.89 5.23 0.28 1.61 -7.23 -1.26 -4.98 120.40 111.16 1nkz s VAL 49 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1nkz s VAL 49 Cb 0.00 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.33 1nkz s VAL 49 CO 0.00 0.16 0.00 0.29 -0.31 0.00 0.00 175.10 175.24 1nkz n LYS 50 N 0.45 0.00 0.00 4.82 4.76 -1.26 -5.16 118.16 121.78 1nkz n LYS 50 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1nkz n LYS 50 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1nkz n LYS 50 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nkz n LYS 51 N -3.15 0.00 0.00 1.97 0.00 -1.26 -5.18 118.16 110.54 1nkz n LYS 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1nkz n LYS 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1nkz n LYS 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nkz n ALA 52 N -3.00 0.00 -1.54 3.14 0.00 -1.26 -5.30 120.51 112.55 1nkz n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nkz n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nkz n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50