#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knj n HIS 2 N 0.00 0.00 -3.38 4.41 -0.00 -1.26 -4.99 115.22 110.01 2knj n HIS 2 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2knj n HIS 2 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.08 2knj n HIS 2 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2knj n GLN 3 N 0.00 -5.72 -0.13 1.57 1.13 -1.26 -4.74 117.38 108.24 2knj n GLN 3 Ca 0.00 0.84 0.02 0.00 -1.94 0.00 0.00 57.00 55.92 2knj n GLN 3 Cb 0.00 -5.82 -0.00 0.00 0.11 0.00 0.00 30.24 24.53 2knj n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2knj n GLU 4 N -3.92 -0.27 -0.03 -1.09 4.71 -1.26 -4.46 120.64 114.33 2knj n GLU 4 Ca -0.24 0.18 -0.19 0.00 -0.01 0.00 0.00 57.16 56.89 2knj n GLU 4 Cb 0.66 -0.32 -0.13 0.00 -1.01 0.00 0.00 31.44 30.63 2knj n GLU 4 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2knj h LEU 5 N 0.00 0.21 -5.01 -4.62 -0.00 -1.85 -3.46 115.31 100.57 2knj h LEU 5 Ca 0.00 -0.85 -0.02 0.00 -0.00 0.00 0.00 57.88 57.01 2knj h LEU 5 Cb 0.12 -0.07 -0.15 0.00 -0.00 0.00 0.00 40.66 40.56 2knj h LEU 5 CO 0.00 1.36 -0.21 0.00 -0.00 0.00 0.00 178.44 179.59 2knj n THR 7 N 2.69 -6.96 -2.52 0.00 -1.04 -1.26 -4.58 114.28 100.61 2knj n THR 7 Ca 0.13 1.46 -0.16 0.00 -2.04 0.00 0.00 64.05 63.44 2knj n THR 7 Cb 0.63 -3.59 -0.00 0.00 -1.82 0.00 0.00 70.33 65.54 2knj n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2knj n LYS 8 N 0.81 -2.31 0.00 -2.82 5.02 -1.26 -3.99 118.16 113.60 2knj n LYS 8 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2knj n LYS 8 Cb 0.00 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2knj n GLY 9 N -0.93 2.71 0.17 0.72 0.00 -1.26 -1.01 105.19 105.59 2knj n GLY 9 Ca -0.17 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.80 2knj n GLY 9 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2knj h ASP 10 N 0.40 0.04 -0.26 1.61 2.03 -1.96 -2.36 116.42 115.93 2knj h ASP 10 Ca 0.00 -0.02 0.05 0.00 -0.73 0.00 0.00 57.03 56.34 2knj h ASP 10 Cb 0.00 -0.01 -0.05 0.00 -0.83 0.00 0.00 39.33 38.43 2knj h ASP 10 CO 0.00 0.49 -0.09 -0.78 -1.03 0.00 0.00 179.24 177.83 2knj h ASP 11 N 0.03 -0.33 0.77 4.15 3.58 -1.38 0.26 116.42 123.51 2knj h ASP 11 Ca -0.00 0.09 -0.25 0.00 0.42 0.00 0.00 57.03 57.29 2knj h ASP 11 Cb 0.82 0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 2knj h ASP 11 CO 0.06 -0.12 -1.30 0.00 -2.88 0.00 0.00 179.24 175.00 2knj h ALA 12 N 1.19 0.52 0.00 -0.78 0.00 -1.39 -1.79 119.26 117.01 2knj h ALA 12 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2knj h ALA 12 Cb 0.24 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2knj h ALA 12 CO -0.29 1.38 0.00 1.47 0.00 0.00 0.00 179.25 181.81 2knj n LEU 13 N -3.23 0.52 -0.02 0.00 -0.00 -0.89 -0.64 117.00 112.74 2knj n LEU 13 Ca -0.07 0.59 -0.17 0.00 -0.00 0.00 0.00 56.01 56.36 2knj n LEU 13 Cb 0.99 -0.47 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 2knj n LEU 13 CO 0.46 -0.31 -0.80 0.52 -0.00 0.00 0.00 177.39 177.26 2knj n VAL 14 N -2.03 1.69 -0.18 1.47 0.31 0.90 -0.32 118.33 120.18 2knj n VAL 14 Ca 0.04 -0.70 -0.09 0.00 -0.01 0.00 0.00 64.34 63.59 2knj n VAL 14 Cb 0.30 -1.44 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 2knj n VAL 14 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2knj h THR 15 N 0.04 1.24 -0.01 2.52 1.35 -1.18 -1.43 112.91 115.44 2knj h THR 15 Ca -0.41 -0.81 -0.09 0.00 -0.55 0.00 0.00 66.41 64.55 2knj h THR 15 Cb 2.03 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 2knj h THR 15 CO 0.07 0.30 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.90 2knj h GLU 16 N 0.68 0.03 -0.16 4.72 5.08 -1.01 -2.15 114.58 121.78 2knj h GLU 16 Ca 0.16 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2knj h GLU 16 Cb 0.31 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2knj h GLU 16 CO -0.00 0.43 -0.33 1.25 -1.00 0.00 0.00 179.01 179.36 2knj h LEU 17 N 0.02 -1.03 -1.43 1.33 6.46 0.29 1.00 115.31 121.96 2knj h LEU 17 Ca -0.00 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 2knj h LEU 17 Cb 0.72 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2knj h LEU 17 CO 0.05 -0.36 -0.22 1.05 -0.62 0.00 0.00 178.44 178.35 2knj h GLU 18 N -0.39 0.00 -0.01 1.25 4.11 -1.21 0.16 114.58 118.49 2knj h GLU 18 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2knj h GLU 18 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2knj h GLU 18 CO -0.38 0.22 -0.11 0.00 0.07 0.00 0.00 179.01 178.81 2knj n ILE 20 N -0.46 1.50 1.50 0.00 5.41 0.33 -3.82 119.36 123.82 2knj n ILE 20 Ca 0.16 -0.73 0.14 0.00 1.00 0.00 0.00 62.75 63.32 2knj n ILE 20 Cb 0.32 -1.01 0.61 0.00 -0.71 0.00 0.00 39.64 38.85 2knj n ILE 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2knj n ARG 21 N -3.04 0.98 0.00 0.38 1.74 0.43 -4.03 116.66 113.12 2knj n ARG 21 Ca -0.34 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 2knj n ARG 21 Cb 1.08 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 2knj n ARG 21 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2knj n LEU 22 N -0.66 0.20 0.00 0.55 -0.00 -0.72 -4.74 117.00 111.64 2knj n LEU 22 Ca 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2knj n LEU 22 Cb 0.28 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2knj n LEU 22 CO 0.21 0.05 0.00 -1.14 -0.00 0.00 0.00 177.39 176.52 2knj n ARG 23 N -0.03 0.00 0.00 1.47 3.00 -1.26 -4.85 116.66 115.00 2knj n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2knj n ARG 23 Cb 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2knj n ILE 24 N -0.69 0.00 0.00 5.15 2.08 -1.26 -4.72 119.36 119.92 2knj n ILE 24 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2knj n ILE 24 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2knj n ILE 24 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2knj n SER 25 N 10.06 -0.02 -3.29 4.38 2.88 -1.26 -4.75 113.62 121.61 2knj n SER 25 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2knj n SER 25 Cb 0.00 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2knj n SER 25 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2knj n PRO 26 N -2.52 0.59 0.00 -1.46 -0.02 -1.26 -4.78 135.00 125.55 2knj n PRO 26 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 2knj n PRO 26 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 33.71 2knj n PRO 26 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2knj n GLU 27 N -0.56 0.25 -0.22 -0.52 1.02 -1.26 -4.03 120.64 115.34 2knj n GLU 27 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2knj n GLU 27 Cb 0.00 -1.47 0.17 0.00 -0.02 0.00 0.00 31.44 30.11 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2knj n THR 28 N -0.97 -0.26 0.15 2.62 5.66 -1.26 -0.47 114.28 119.74 2knj n THR 28 Ca 0.06 1.38 -0.11 0.00 -3.05 0.00 0.00 64.05 62.32 2knj n THR 28 Cb 0.03 -1.99 -0.06 0.00 -1.55 0.00 0.00 70.33 66.75 2knj n THR 28 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2knj h ASN 29 N 0.00 -0.38 0.29 1.09 -0.26 -1.85 -0.61 115.58 113.87 2knj h ASN 29 Ca 0.36 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 2knj h ASN 29 Cb 0.73 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 2knj h ASN 29 CO -0.59 0.07 -0.21 0.00 -1.06 0.00 0.00 177.43 175.64 2knj h ALA 30 N -0.67 -0.49 0.23 -0.83 0.00 -1.67 -0.78 119.26 115.05 2knj h ALA 30 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2knj h ALA 30 Cb 0.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2knj h ALA 30 CO 0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 179.25 178.42 2knj h ALA 31 N 0.16 -0.31 0.00 0.00 0.00 -0.83 -2.51 119.26 115.77 2knj h ALA 31 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2knj h ALA 31 Cb 0.44 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2knj h ALA 31 CO 0.00 -0.41 -0.05 0.74 0.00 0.00 0.00 179.25 179.54 2knj h PHE 32 N -0.84 0.00 0.61 0.00 0.04 -1.21 -1.86 116.94 113.67 2knj h PHE 32 Ca -0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2knj h PHE 32 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.67 2knj h PHE 32 CO 0.06 0.05 -0.29 0.22 -0.60 0.00 0.00 178.31 177.74 2knj h ASP 33 N 0.00 -0.69 -0.14 2.17 3.58 -0.76 0.51 116.42 121.08 2knj h ASP 33 Ca -0.00 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2knj h ASP 33 Cb 0.21 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2knj h ASP 33 CO 0.01 -0.46 -0.01 -0.55 -2.88 0.00 0.00 179.24 175.35 2knj h ASN 34 N -0.89 0.35 0.79 2.28 -1.07 -1.41 0.70 115.58 116.34 2knj h ASN 34 Ca -0.08 -0.06 -0.04 0.00 0.07 0.00 0.00 56.30 56.19 2knj h ASN 34 Cb 0.63 -0.09 0.01 0.00 -2.07 0.00 0.00 38.32 36.79 2knj h ASN 34 CO 0.14 0.42 -0.38 0.00 0.07 0.00 0.00 177.43 177.68 2knj h ALA 35 N 1.63 -1.14 0.00 4.14 0.00 -1.29 -0.39 119.26 122.21 2knj h ALA 35 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2knj h ALA 35 Cb 0.27 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2knj h ALA 35 CO 0.01 -1.06 0.00 0.28 0.00 0.00 0.00 179.25 178.47 2knj h VAL 36 N -1.20 0.00 -0.07 0.00 2.07 0.21 0.26 116.25 117.53 2knj h VAL 36 Ca -0.11 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 2knj h VAL 36 Cb 0.82 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2knj h VAL 36 CO 0.18 0.00 -0.61 -0.61 0.02 0.00 0.00 177.57 176.55 2knj h GLN 37 N 0.00 0.23 0.68 1.57 4.15 0.52 0.35 115.11 122.61 2knj h GLN 37 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 2knj h GLN 37 Cb 0.42 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2knj h GLN 37 CO 0.00 0.77 -0.39 1.96 -1.93 0.00 0.00 178.83 179.24 2knj h GLN 38 N 0.17 -0.96 0.00 1.69 4.20 0.13 -3.15 115.11 117.19 2knj h GLN 38 Ca -0.01 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2knj h GLN 38 Cb 1.11 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2knj h GLN 38 CO 0.09 -0.64 -0.21 1.37 -0.67 0.00 0.00 178.83 178.78 2knj h LEU 39 N -0.99 0.00 -1.67 1.46 -0.00 -1.57 -3.47 115.31 109.07 2knj h LEU 39 Ca -0.09 -0.06 -0.45 0.00 -0.00 0.00 0.00 57.88 57.28 2knj h LEU 39 Cb 0.79 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2knj h LEU 39 CO 0.11 0.03 -0.83 -3.20 -0.00 0.00 0.00 178.44 174.55 2knj n ASN 40 N -2.32 -1.59 -0.57 0.17 2.85 0.12 -4.85 115.26 109.08 2knj n ASN 40 Ca 0.05 -0.86 0.08 0.00 -0.11 0.00 0.00 54.58 53.74 2knj n ASN 40 Cb 0.45 -3.80 0.28 0.00 1.24 0.00 0.00 39.78 37.95 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2knj n LEU 42 N 0.37 0.00 -4.75 0.00 4.32 -1.26 -4.83 117.00 110.85 2knj n LEU 42 Ca 0.14 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.72 2knj n LEU 42 Cb 0.30 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.06 2knj n LEU 42 CO 0.11 0.00 0.80 0.54 -1.22 0.00 0.00 177.39 177.62 2knj s ASN 43 N 0.00 7.25 0.30 -1.43 6.03 -1.26 -4.90 114.94 120.93 2knj s ASN 43 Ca 0.00 2.19 0.24 0.00 -1.03 0.00 0.00 52.86 54.26 2knj s ASN 43 Cb 0.00 -2.62 1.09 0.00 -3.03 0.00 0.00 41.25 36.70 2knj s ASN 43 CO 0.00 -0.19 1.73 0.03 -2.03 0.00 0.00 177.10 176.64 2knj h ARG 44 N 4.49 0.00 0.12 3.55 -0.00 -1.93 -3.19 114.38 117.41 2knj h ARG 44 Ca -0.45 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.04 2knj h ARG 44 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.13 2knj h ARG 44 CO 0.70 0.00 -0.46 0.00 0.00 0.00 0.00 179.97 180.21 2knj h ALA 45 N 2.17 -0.82 -0.38 0.04 0.00 -1.90 -1.91 119.26 116.45 2knj h ALA 45 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2knj h ALA 45 Cb 0.26 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2knj h ALA 45 CO 0.00 -1.03 -0.46 0.00 0.00 0.00 0.00 179.25 177.76 2knj h ALA 47 N 0.28 -0.41 -0.60 0.00 0.00 -1.75 -0.28 119.26 116.50 2knj h ALA 47 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2knj h ALA 47 Cb 0.60 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2knj h ALA 47 CO -0.56 -0.76 0.15 -0.92 0.00 0.00 0.00 179.25 177.15 2knj h TYR 48 N -0.44 0.96 0.00 0.00 5.03 -0.82 -0.30 116.97 121.41 2knj h TYR 48 Ca 0.01 -0.10 -0.13 0.00 2.58 0.00 0.00 58.73 61.08 2knj h TYR 48 Cb 0.42 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 2knj h TYR 48 CO -0.16 0.80 -0.64 -0.09 -1.32 0.00 0.00 178.16 176.74 2knj h ARG 49 N 0.89 0.00 0.04 1.82 9.65 0.11 -1.59 114.38 125.31 2knj h ARG 49 Ca 0.19 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.85 2knj h ARG 49 Cb 0.32 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 2knj h ARG 49 CO -0.00 0.64 -1.04 -0.22 2.80 0.00 0.00 179.97 182.16 2knj h LYS 50 N 0.00 0.11 -0.53 0.20 3.11 -0.57 -1.67 116.57 117.22 2knj h LYS 50 Ca -0.01 -0.17 0.05 0.00 -2.81 0.00 0.00 60.65 57.71 2knj h LYS 50 Cb 1.25 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 32.49 2knj h LYS 50 CO 0.08 1.04 0.26 1.98 -2.81 0.00 0.00 179.45 180.00 2knj h MET 51 N 0.04 0.48 -0.37 1.90 4.05 -0.78 0.21 114.93 120.45 2knj h MET 51 Ca -0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2knj h MET 51 Cb 1.76 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 32.43 2knj h MET 51 CO 0.15 0.32 0.24 0.00 0.23 0.00 0.00 176.91 177.84 2knj h ALA 53 N 1.12 1.53 0.00 0.00 0.00 -1.01 -3.45 119.26 117.45 2knj h ALA 53 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2knj h ALA 53 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2knj h ALA 53 CO -0.03 0.39 0.00 -2.37 0.00 0.00 0.00 179.25 177.24 2knj n THR 54 N -4.45 0.00 0.00 0.00 5.66 -0.25 -5.10 114.28 110.14 2knj n THR 54 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2knj n THR 54 Cb 0.12 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 2knj n THR 54 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2knj n ASN 55 N -2.27 0.00 0.00 1.09 0.23 0.56 -4.78 115.26 110.09 2knj n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2knj n ASN 55 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2knj n ASN 56 N 0.00 0.00 -0.65 0.53 5.15 -1.26 -4.29 115.26 114.74 2knj n ASN 56 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 2knj n ASN 56 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 2knj n ASN 56 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2knj n LEU 57 N 0.00 2.32 0.14 1.20 7.99 -1.26 -4.25 117.00 123.13 2knj n LEU 57 Ca 0.00 -0.88 0.06 0.00 -0.01 0.00 0.00 56.01 55.18 2knj n LEU 57 Cb 0.00 0.00 0.30 0.00 -0.11 0.00 0.00 43.42 43.61 2knj n LEU 57 CO 0.00 0.41 0.75 -1.84 -1.51 0.00 0.00 177.39 175.21 2knj n GLU 58 N 0.55 0.08 -0.16 3.23 -0.00 -1.26 -1.74 120.64 121.33 2knj n GLU 58 Ca 0.10 0.53 -0.06 0.00 -0.00 0.00 0.00 57.16 57.73 2knj n GLU 58 Cb 0.48 -2.04 -0.05 0.00 -0.00 0.00 0.00 31.44 29.83 2knj n GLU 58 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2knj h GLN 59 N 0.00 -0.07 0.56 3.44 4.15 -1.97 0.34 115.11 121.55 2knj h GLN 59 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2knj h GLN 59 Cb 0.59 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 2knj h GLN 59 CO 0.00 -0.05 -0.36 0.00 -1.93 0.00 0.00 178.83 176.49 2knj h ALA 60 N -0.39 -1.16 -0.94 3.38 0.00 -1.67 0.34 119.26 118.81 2knj h ALA 60 Ca 0.06 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.03 2knj h ALA 60 Cb 0.24 0.49 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 2knj h ALA 60 CO -0.41 -1.14 -0.04 0.00 0.00 0.00 0.00 179.25 177.66 2knj h MET 61 N -0.87 0.03 0.00 0.00 -0.00 -1.53 0.20 114.93 112.75 2knj h MET 61 Ca -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2knj h MET 61 Cb 0.71 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2knj h MET 61 CO 0.06 0.02 0.00 0.77 -0.00 0.00 0.00 176.91 177.76 2knj h SER 62 N 0.03 0.00 0.12 -0.10 0.02 0.82 0.31 113.55 114.75 2knj h SER 62 Ca 0.54 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.22 2knj h SER 62 Cb 1.02 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.58 2knj h SER 62 CO -0.89 0.00 -1.06 0.58 -1.14 0.00 0.00 176.83 174.32 2knj h VAL 63 N 0.00 1.31 0.24 2.27 2.07 0.26 -3.38 116.25 119.02 2knj h VAL 63 Ca 0.00 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 2knj h VAL 63 Cb 0.53 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2knj h VAL 63 CO 0.00 0.72 -0.12 1.88 0.02 0.00 0.00 177.57 180.07 2knj h TYR 64 N 0.33 -0.30 -3.36 1.57 -1.99 -0.13 -3.47 116.97 109.62 2knj h TYR 64 Ca -0.13 -0.01 -0.45 0.00 2.00 0.00 0.00 58.73 60.14 2knj h TYR 64 Cb 1.71 0.10 0.08 0.00 2.00 0.00 0.00 36.73 40.63 2knj h TYR 64 CO 0.09 -0.19 0.20 -0.59 -0.00 0.00 0.00 178.16 177.67 2knj s PHE 65 N -2.63 2.55 0.43 4.88 -0.12 0.10 -5.05 117.98 118.15 2knj s PHE 65 Ca -0.05 0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.16 2knj s PHE 65 Cb 0.00 -3.21 0.01 0.00 -0.63 0.00 0.00 43.02 39.20 2knj s PHE 65 CO 0.14 -1.52 0.55 0.95 -0.05 0.00 0.00 175.22 175.29 2knj s THR 66 N -3.24 2.86 0.31 -4.49 -4.23 -1.26 -4.59 115.64 101.01 2knj s THR 66 Ca 0.62 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2knj s THR 66 Cb -0.09 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.09 2knj s THR 66 CO 0.45 0.00 1.97 -1.13 -0.54 0.00 0.00 174.62 175.37 2knj h ASN 67 N 0.67 0.88 0.92 3.99 -1.24 -1.98 -0.01 115.58 118.81 2knj h ASN 67 Ca -0.39 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 56.45 2knj h ASN 67 Cb 1.28 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 2knj h ASN 67 CO 0.47 0.62 -0.71 1.05 -1.29 0.00 0.00 177.43 177.57 2knj h GLU 68 N 1.03 0.00 -0.47 6.67 4.11 -1.98 0.05 114.58 123.99 2knj h GLU 68 Ca 0.30 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.69 2knj h GLU 68 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2knj h GLU 68 CO -0.08 0.71 0.12 0.37 0.07 0.00 0.00 179.01 180.20 2knj h GLN 69 N 0.00 0.75 0.00 1.06 -0.00 -1.55 -1.57 115.11 113.79 2knj h GLN 69 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 2knj h GLN 69 Cb 1.36 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.74 2knj h GLN 69 CO 0.09 0.73 -0.14 1.51 0.00 0.00 0.00 178.83 181.03 2knj n ILE 70 N -4.50 0.40 -0.16 2.39 0.13 -0.16 -1.49 119.36 115.98 2knj n ILE 70 Ca 0.01 -0.21 -0.10 0.00 -1.10 0.00 0.00 62.75 61.35 2knj n ILE 70 Cb 0.21 -0.44 -0.00 0.00 -0.84 0.00 0.00 39.64 38.57 2knj n ILE 70 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 2knj h LYS 71 N 0.00 0.79 -0.17 9.51 3.11 -0.55 0.39 116.57 129.64 2knj h LYS 71 Ca 0.00 -0.24 -0.01 0.00 -2.81 0.00 0.00 60.65 57.59 2knj h LYS 71 Cb 0.68 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2knj h LYS 71 CO 0.00 0.84 0.06 0.93 -2.81 0.00 0.00 179.45 178.47 2knj h GLU 72 N 0.63 0.26 0.00 1.90 5.08 -0.82 -2.02 114.58 119.62 2knj h GLU 72 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2knj h GLU 72 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2knj h GLU 72 CO 0.02 0.35 0.00 -0.89 -1.00 0.00 0.00 179.01 177.49 2knj n ILE 73 N -4.85 0.74 0.01 3.13 5.41 -0.56 -0.54 119.36 122.71 2knj n ILE 73 Ca -0.04 0.11 -0.13 0.00 1.00 0.00 0.00 62.75 63.69 2knj n ILE 73 Cb 0.13 -0.95 -0.09 0.00 -0.71 0.00 0.00 39.64 38.01 2knj n ILE 73 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2knj h HIS 74 N 0.00 -0.05 -0.66 1.39 2.76 0.51 0.73 115.15 119.83 2knj h HIS 74 Ca 0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2knj h HIS 74 Cb 0.42 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2knj h HIS 74 CO 0.00 0.40 0.13 0.22 -1.30 0.00 0.00 177.93 177.38 2knj h ASP 75 N -0.52 1.02 -0.38 3.26 1.82 -1.23 -1.68 116.42 118.71 2knj h ASP 75 Ca -0.01 -0.25 0.02 0.00 -0.39 0.00 0.00 57.03 56.40 2knj h ASP 75 Cb 0.47 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 2knj h ASP 75 CO 0.01 1.01 0.22 0.00 -1.61 0.00 0.00 179.24 178.87 2knj h ALA 76 N 1.05 0.48 0.00 -0.78 0.00 -0.46 0.49 119.26 120.04 2knj h ALA 76 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2knj h ALA 76 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2knj h ALA 76 CO 0.01 -0.12 -1.10 0.00 0.00 0.00 0.00 179.25 178.04 2knj n ALA 77 N -2.24 2.71 -0.06 0.00 0.00 0.25 -0.11 120.51 121.06 2knj n ALA 77 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 2knj n ALA 77 Cb 0.06 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 2knj n ALA 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2knj n THR 78 N -2.48 1.64 1.10 0.00 -1.04 -0.64 -3.74 114.28 109.13 2knj n THR 78 Ca 0.00 -0.52 0.12 0.00 -2.04 0.00 0.00 64.05 61.60 2knj n THR 78 Cb 0.53 -1.69 0.15 0.00 -1.82 0.00 0.00 70.33 67.49 2knj n THR 78 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2knj n ALA 79 N -3.25 3.33 -3.79 2.41 0.00 0.17 -4.81 120.51 114.57 2knj n ALA 79 Ca -0.38 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.23 2knj n ALA 79 Cb 0.97 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 19.54 2knj n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2knj n ASP 81 N -2.92 0.73 -0.01 0.00 -0.08 -0.70 -4.91 116.55 108.67 2knj n ASP 81 Ca -0.01 -2.67 0.13 0.00 -1.51 0.00 0.00 54.79 50.73 2knj n ASP 81 Cb 0.55 -0.62 0.45 0.00 2.34 0.00 0.00 41.12 43.85 2knj n ASP 81 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2knj n PRO 82 N 2.48 0.06 0.00 -0.67 -0.02 -1.26 -2.42 135.00 133.17 2knj n PRO 82 Ca 0.27 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2knj n PRO 82 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2knj n PRO 82 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2knj n GLU 83 N -1.45 0.00 0.02 -0.52 2.13 -1.26 -4.77 120.64 114.78 2knj n GLU 83 Ca 0.07 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 2knj n GLU 83 Cb 0.33 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.90 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2knj h ALA 84 N 0.00 0.37 0.00 4.31 0.00 -1.91 -3.45 119.26 118.58 2knj h ALA 84 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 2knj h ALA 84 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2knj h ALA 84 CO 0.00 1.25 -0.15 0.72 0.00 0.00 0.00 179.25 181.07 2knj n HIS 85 N -3.51 0.00 -3.59 0.00 8.25 -1.26 -5.15 115.22 109.96 2knj n HIS 85 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2knj n HIS 85 Cb 1.06 0.23 0.00 0.00 1.12 0.00 0.00 29.99 32.40 2knj n HIS 85 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2knj n HIS 86 N -2.16 -0.28 -4.21 4.41 1.44 -1.26 -5.17 115.22 107.99 2knj n HIS 86 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 2knj n HIS 86 Cb 0.08 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.08 2knj n HIS 86 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2knj s GLU 87 N -1.72 1.11 -0.46 -1.40 1.03 -1.26 -4.42 118.70 111.58 2knj s GLU 87 Ca 0.00 -1.56 -0.02 0.00 0.03 0.00 0.00 54.97 53.42 2knj s GLU 87 Cb 0.00 0.06 -0.02 0.00 -0.80 0.00 0.00 34.13 33.37 2knj s GLU 87 CO 0.00 -0.27 0.41 1.58 -1.33 0.00 0.00 175.26 175.65 2knj n HIS 88 N -0.22 -1.26 0.00 4.83 -0.00 -1.26 -4.82 115.22 112.48 2knj n HIS 88 Ca -0.03 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2knj n HIS 88 Cb 0.65 -3.12 0.00 0.00 -0.00 0.00 0.00 29.99 27.51 2knj n HIS 88 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2knj n ASP 89 N -2.04 0.00 0.00 0.26 9.92 -1.26 -5.10 116.55 118.33 2knj n ASP 89 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2knj n ASP 89 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 2knj n ASP 89 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90