#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 -2.43 -3.67 1.57 -0.00 -1.26 -2.73 115.22 106.70 2knj n HIS 2 Ca 0.00 0.85 -0.25 0.00 -0.00 0.00 0.00 57.72 58.32 2knj n HIS 2 Cb 0.00 -4.18 0.07 0.00 -0.00 0.00 0.00 29.99 25.87 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 -3.33 -7.42 -3.76 1.57 6.02 -1.26 -3.94 117.38 105.26 2knj n GLN 3 Ca -0.09 0.78 -0.25 0.00 -0.01 0.00 0.00 57.00 57.43 2knj n GLN 3 Cb 0.62 -5.80 0.00 0.00 1.02 0.00 0.00 30.24 26.09 2knj n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2knj n GLU 4 N -4.94 -1.52 -0.27 -1.09 -0.58 -1.11 -4.80 120.64 106.35 2knj n GLU 4 Ca 0.02 0.74 0.26 0.00 -0.42 0.00 0.00 57.16 57.75 2knj n GLU 4 Cb 0.55 -2.14 0.61 0.00 -0.57 0.00 0.00 31.44 29.90 2knj n GLU 4 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2knj h LEU 5 N -0.20 0.23 -1.47 -4.62 3.38 -1.68 -3.33 115.31 107.62 2knj h LEU 5 Ca -0.63 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 2knj h LEU 5 Cb 1.37 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 2knj h LEU 5 CO 0.36 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 178.82 2knj n THR 7 N -0.01 0.00 0.46 0.00 -1.04 -1.25 -4.51 114.28 107.92 2knj n THR 7 Ca -0.12 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.83 2knj n THR 7 Cb 0.45 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.01 2knj n THR 7 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2knj n LYS 8 N 0.00 1.35 -1.01 -2.82 2.85 -1.26 -4.97 118.16 112.30 2knj n LYS 8 Ca 0.00 -0.74 0.13 0.00 -1.05 0.00 0.00 58.31 56.65 2knj n LYS 8 Cb 0.00 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.02 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2knj n GLY 9 N 0.10 -2.31 0.26 2.58 0.00 -1.26 -2.21 105.19 102.34 2knj n GLY 9 Ca 0.14 -1.23 0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.97 0.00 0.79 1.61 3.04 -1.93 -1.86 116.42 117.11 2knj h ASP 10 Ca -0.05 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.71 2knj h ASP 10 Cb 0.95 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.24 2knj h ASP 10 CO 0.03 0.07 -0.40 -0.78 -2.04 0.00 0.00 179.24 176.12 2knj h ASP 11 N 0.00 -0.97 1.81 4.15 3.58 -2.00 0.07 116.42 123.06 2knj h ASP 11 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2knj h ASP 11 Cb 0.63 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2knj h ASP 11 CO 0.01 -0.67 0.00 0.00 -2.88 0.00 0.00 179.24 175.70 2knj h ALA 12 N -0.89 1.00 -0.60 -0.78 0.00 -1.42 -2.24 119.26 114.32 2knj h ALA 12 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2knj h ALA 12 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2knj h ALA 12 CO 0.16 0.00 0.27 1.25 0.00 0.00 0.00 179.25 180.93 2knj h LEU 13 N 0.00 0.80 -0.58 0.00 7.12 -1.22 0.43 115.31 121.86 2knj h LEU 13 Ca 0.00 -0.15 0.03 0.00 0.13 0.00 0.00 57.88 57.90 2knj h LEU 13 Cb 0.90 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 2knj h LEU 13 CO 0.00 0.72 0.34 0.58 -0.13 0.00 0.00 178.44 179.96 2knj h VAL 14 N 0.82 1.04 0.11 1.05 2.07 -0.59 1.05 116.25 121.80 2knj h VAL 14 Ca 0.20 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2knj h VAL 14 Cb 0.15 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2knj h VAL 14 CO -0.02 0.12 -0.17 0.74 0.02 0.00 0.00 177.57 178.26 2knj h THR 15 N 0.67 0.61 -0.57 2.57 2.02 -0.86 -1.25 112.91 116.10 2knj h THR 15 Ca 0.24 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.48 2knj h THR 15 Cb 0.06 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2knj h THR 15 CO -0.12 0.00 0.38 -0.33 0.37 0.00 0.00 175.52 175.82 2knj h GLU 16 N -0.33 0.54 -0.34 6.66 5.08 0.22 -2.01 114.58 124.40 2knj h GLU 16 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2knj h GLU 16 Cb 0.35 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2knj h GLU 16 CO -0.09 0.36 0.16 1.25 -1.00 0.00 0.00 179.01 179.68 2knj h LEU 17 N 0.56 0.21 -1.39 1.33 5.85 0.23 0.92 115.31 123.02 2knj h LEU 17 Ca 0.24 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2knj h LEU 17 Cb 0.26 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2knj h LEU 17 CO -0.07 0.16 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.68 2knj h GLU 18 N 0.33 0.17 -0.01 1.25 4.39 -0.79 -1.67 114.58 118.25 2knj h GLU 18 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2knj h GLU 18 Cb 0.08 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2knj h GLU 18 CO -0.12 0.36 -0.06 0.00 -1.16 0.00 0.00 179.01 178.04 2knj n ILE 20 N -0.21 1.72 1.52 0.00 5.41 0.29 -3.74 119.36 124.35 2knj n ILE 20 Ca 0.18 -0.71 0.14 0.00 1.00 0.00 0.00 62.75 63.36 2knj n ILE 20 Cb 0.32 -1.46 0.59 0.00 -0.71 0.00 0.00 39.64 38.38 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 -3.31 1.20 0.00 0.38 1.74 -0.72 -4.35 116.66 111.60 2knj n ARG 21 Ca -0.26 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 2knj n ARG 21 Cb 1.05 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 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 -0.41 0.05 -3.08 0.55 -0.00 -0.58 -4.75 117.00 108.78 2knj n LEU 22 Ca 0.18 -0.03 -0.08 0.00 -0.00 0.00 0.00 56.01 56.08 2knj n LEU 22 Cb 0.29 -0.03 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 2knj n LEU 22 CO 0.20 0.01 0.13 -1.14 -0.00 0.00 0.00 177.39 176.60 2knj n ARG 23 N -0.25 -1.80 -0.93 1.47 0.63 -1.26 -4.98 116.66 109.53 2knj n ARG 23 Ca 0.00 1.67 -0.28 0.00 -0.92 0.00 0.00 57.85 58.32 2knj n ARG 23 Cb 0.01 -5.15 0.21 0.00 0.45 0.00 0.00 32.46 27.98 2knj n ARG 23 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2knj s ILE 24 N -2.73 2.01 -0.19 5.15 1.01 -1.26 -5.02 121.20 120.17 2knj s ILE 24 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2knj s ILE 24 Cb -0.03 -2.34 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 2knj s ILE 24 CO 0.78 -0.01 -0.20 -0.24 0.00 0.00 0.00 174.94 175.27 2knj n SER 25 N -4.49 1.95 -2.98 3.58 2.88 -1.26 -4.80 113.62 108.50 2knj n SER 25 Ca 0.04 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2knj n SER 25 Cb 0.56 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 -3.46 1.07 0.00 -1.46 -0.02 -1.26 -4.72 135.00 125.15 2knj n PRO 26 Ca -0.35 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.16 2knj n PRO 26 Cb 0.80 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.45 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 -0.47 0.18 -0.22 -0.52 -0.58 -1.26 -4.11 120.64 113.66 2knj n GLU 27 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 2knj n GLU 27 Cb 0.00 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2knj n THR 28 N -0.99 -0.30 -0.04 2.62 5.66 -1.26 0.03 114.28 120.01 2knj n THR 28 Ca 0.04 1.32 -0.13 0.00 -3.05 0.00 0.00 64.05 62.23 2knj n THR 28 Cb 0.02 -1.75 -0.08 0.00 -1.55 0.00 0.00 70.33 66.97 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 0.23 0.65 1.09 -0.26 -1.87 0.12 115.58 115.53 2knj h ASN 29 Ca 0.20 -0.51 -0.03 0.00 -0.56 0.00 0.00 56.30 55.40 2knj h ASN 29 Cb 0.34 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2knj h ASN 29 CO -0.56 0.69 -0.31 0.00 -1.06 0.00 0.00 177.43 176.19 2knj h ALA 30 N 0.55 -0.87 0.27 -0.83 0.00 -1.52 -1.78 119.26 115.08 2knj h ALA 30 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2knj h ALA 30 Cb 0.63 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2knj h ALA 30 CO 0.02 -0.96 -0.13 0.00 0.00 0.00 0.00 179.25 178.18 2knj h ALA 31 N -0.59 -0.86 -0.82 0.00 0.00 -0.41 -2.46 119.26 114.14 2knj h ALA 31 Ca -0.09 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2knj h ALA 31 Cb 0.68 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2knj h ALA 31 CO 0.15 -0.83 0.53 0.74 0.00 0.00 0.00 179.25 179.84 2knj h PHE 32 N -0.45 0.87 -0.37 0.00 0.04 -0.90 0.47 116.94 116.60 2knj h PHE 32 Ca -0.04 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2knj h PHE 32 Cb 0.28 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2knj h PHE 32 CO 0.11 0.43 0.03 0.22 -0.60 0.00 0.00 178.31 178.51 2knj h ASP 33 N 0.83 0.61 -0.05 2.17 3.58 -1.34 1.36 116.42 123.59 2knj h ASP 33 Ca 0.36 -0.29 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2knj h ASP 33 Cb 0.32 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2knj h ASP 33 CO -0.14 0.75 -0.23 -1.13 -2.88 0.00 0.00 179.24 175.61 2knj h ASN 34 N 0.46 0.46 0.08 2.28 -1.24 -0.94 -1.37 115.58 115.32 2knj h ASN 34 Ca 0.11 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 2knj h ASN 34 Cb 0.41 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2knj h ASN 34 CO 0.01 0.70 -0.04 0.00 -1.29 0.00 0.00 177.43 176.82 2knj h ALA 35 N 1.34 -0.11 0.00 1.57 0.00 0.85 -2.24 119.26 120.68 2knj h ALA 35 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2knj h ALA 35 Cb 0.64 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2knj h ALA 35 CO 0.05 -0.13 -0.02 0.28 0.00 0.00 0.00 179.25 179.42 2knj h VAL 36 N -0.97 0.72 -0.17 0.00 2.07 0.17 0.19 116.25 118.26 2knj h VAL 36 Ca -0.01 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2knj h VAL 36 Cb 0.46 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2knj h VAL 36 CO 0.02 0.02 -0.16 -0.61 0.02 0.00 0.00 177.57 176.86 2knj h GLN 37 N 0.00 -0.18 0.17 1.57 4.15 -1.21 0.49 115.11 120.10 2knj h GLN 37 Ca -0.00 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2knj h GLN 37 Cb 0.05 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2knj h GLN 37 CO 0.00 -0.12 -0.18 1.96 -1.93 0.00 0.00 178.83 178.56 2knj h GLN 38 N -0.18 -0.34 -0.72 1.69 4.20 0.00 -3.19 115.11 116.57 2knj h GLN 38 Ca 0.11 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2knj h GLN 38 Cb 0.34 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2knj h GLN 38 CO -0.28 -0.23 0.27 1.37 -0.67 0.00 0.00 178.83 179.29 2knj h LEU 39 N -0.36 1.00 -1.92 1.46 -0.00 -1.46 -3.46 115.31 110.57 2knj h LEU 39 Ca -0.02 -0.16 -0.57 0.00 -0.00 0.00 0.00 57.88 57.13 2knj h LEU 39 Cb 0.31 -0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 40.55 2knj h LEU 39 CO -0.03 0.90 -0.93 -3.20 -0.00 0.00 0.00 178.44 175.18 2knj n ASN 40 N -4.28 0.12 -0.29 0.17 5.15 0.17 -4.82 115.26 111.48 2knj n ASN 40 Ca 0.06 -1.17 0.03 0.00 -0.60 0.00 0.00 54.58 52.91 2knj n ASN 40 Cb 0.19 -2.17 0.17 0.00 -0.53 0.00 0.00 39.78 37.45 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2knj n LEU 42 N -4.75 0.00 0.00 0.00 0.00 -1.26 -4.99 117.00 105.99 2knj n LEU 42 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.16 2knj n LEU 42 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.73 2knj n LEU 42 CO 0.26 0.00 0.97 -0.46 0.00 0.00 0.00 177.39 178.17 2knj n ASN 43 N 0.00 -1.29 0.26 1.96 2.04 -1.26 -4.98 115.26 111.98 2knj n ASN 43 Ca 0.00 -1.42 0.10 0.00 -0.44 0.00 0.00 54.58 52.82 2knj n ASN 43 Cb 0.00 2.04 0.69 0.00 -2.53 0.00 0.00 39.78 39.98 2knj n ASN 43 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2knj h ARG 44 N 0.00 0.00 -0.11 -3.83 -0.00 -1.96 -2.06 114.38 106.42 2knj h ARG 44 Ca -0.22 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.21 2knj h ARG 44 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.10 2knj h ARG 44 CO 0.31 0.09 -0.11 0.00 0.00 0.00 0.00 179.97 180.26 2knj h ALA 45 N 1.91 0.16 -0.05 0.04 0.00 -1.95 -1.97 119.26 117.40 2knj h ALA 45 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2knj h ALA 45 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2knj h ALA 45 CO 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 179.25 179.17 2knj h ALA 47 N 1.83 -0.88 -0.18 0.00 0.00 -1.20 -0.81 119.26 118.03 2knj h ALA 47 Ca 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2knj h ALA 47 Cb 0.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2knj h ALA 47 CO 0.01 -0.92 -0.15 -0.92 0.00 0.00 0.00 179.25 177.28 2knj h TYR 48 N -1.03 0.31 -0.39 0.00 5.03 -1.01 0.29 116.97 120.17 2knj h TYR 48 Ca -0.09 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.23 2knj h TYR 48 Cb 0.71 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.86 2knj h TYR 48 CO -0.01 0.44 0.12 -0.09 -1.32 0.00 0.00 178.16 177.31 2knj h ARG 49 N 0.27 0.27 0.00 1.82 2.43 -0.44 0.24 114.38 118.98 2knj h ARG 49 Ca 0.05 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 2knj h ARG 49 Cb 0.44 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2knj h ARG 49 CO 0.03 0.18 -0.98 -0.22 -1.51 0.00 0.00 179.97 177.46 2knj h LYS 50 N 0.27 0.00 -0.68 0.20 3.64 -0.51 -0.96 116.57 118.53 2knj h LYS 50 Ca 0.18 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2knj h LYS 50 Cb 0.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2knj h LYS 50 CO -0.20 0.98 0.20 1.98 -2.27 0.00 0.00 179.45 180.14 2knj h MET 51 N 0.00 1.07 0.00 1.90 4.05 -0.67 0.72 114.93 122.00 2knj h MET 51 Ca -0.01 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 2knj h MET 51 Cb 1.75 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.39 2knj h MET 51 CO 0.13 0.93 -0.28 0.00 0.23 0.00 0.00 176.91 177.92 2knj n ALA 53 N -2.18 0.00 -1.80 0.00 0.00 -0.38 -4.55 120.51 111.60 2knj n ALA 53 Ca 0.02 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2knj n ALA 53 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.09 2knj n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2knj n THR 54 N -1.90 0.68 -0.78 0.00 -2.24 0.10 -5.01 114.28 105.14 2knj n THR 54 Ca 0.00 -1.02 0.10 0.00 -2.27 0.00 0.00 64.05 60.86 2knj n THR 54 Cb 0.00 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 2knj n THR 54 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2knj n ASN 55 N -0.40 -4.41 0.00 3.42 5.03 0.21 -4.90 115.26 114.21 2knj n ASN 55 Ca 0.07 0.72 0.00 0.00 0.87 0.00 0.00 54.58 56.23 2knj n ASN 55 Cb 0.75 -2.65 0.00 0.00 -1.02 0.00 0.00 39.78 36.87 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2knj n ASN 56 N -3.35 0.00 -0.28 6.41 5.15 -1.26 -4.13 115.26 117.80 2knj n ASN 56 Ca -0.04 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.14 2knj n ASN 56 Cb 0.37 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.13 2knj n ASN 56 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2knj h LEU 57 N 0.00 0.42 0.00 1.20 6.46 -1.89 -2.48 115.31 119.03 2knj h LEU 57 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2knj h LEU 57 Cb 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2knj h LEU 57 CO 0.00 0.14 0.00 -1.84 -0.62 0.00 0.00 178.44 176.12 2knj n GLU 58 N -4.55 0.10 0.03 1.25 -0.00 -1.26 -3.20 120.64 113.02 2knj n GLU 58 Ca 0.22 0.22 -0.02 0.00 -0.00 0.00 0.00 57.16 57.58 2knj n GLU 58 Cb 0.77 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 30.70 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 -0.10 0.02 3.44 4.15 -1.81 -1.29 115.11 119.52 2knj h GLN 59 Ca 0.00 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 2knj h GLN 59 Cb 0.15 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2knj h GLN 59 CO 0.00 -0.06 -0.70 0.00 -1.93 0.00 0.00 178.83 176.14 2knj h ALA 60 N -1.75 0.12 -0.77 3.38 0.00 -1.84 -2.76 119.26 115.64 2knj h ALA 60 Ca -0.01 -0.86 0.18 0.00 0.00 0.00 0.00 54.91 54.22 2knj h ALA 60 Cb 0.08 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 2knj h ALA 60 CO 0.00 0.39 0.15 0.00 0.00 0.00 0.00 179.25 179.80 2knj h MET 61 N -0.89 0.21 0.00 0.00 -0.00 -1.62 0.40 114.93 113.04 2knj h MET 61 Ca -0.18 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.70 59.33 2knj h MET 61 Cb 1.24 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 32.77 2knj h MET 61 CO -0.07 0.14 -0.82 1.03 -0.00 0.00 0.00 176.91 177.19 2knj h SER 62 N 0.22 0.02 -0.45 -0.10 0.87 -1.34 0.17 113.55 112.95 2knj h SER 62 Ca 0.44 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 2knj h SER 62 Cb 0.80 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2knj h SER 62 CO -0.57 0.83 0.24 0.58 -0.53 0.00 0.00 176.83 177.38 2knj h VAL 63 N 0.01 1.16 0.03 2.23 2.07 -0.85 -3.35 116.25 117.55 2knj h VAL 63 Ca -0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2knj h VAL 63 Cb 1.45 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2knj h VAL 63 CO 0.11 0.18 -0.02 1.88 0.02 0.00 0.00 177.57 179.75 2knj h TYR 64 N 0.67 -0.04 -3.74 1.57 -1.99 0.41 -3.48 116.97 110.38 2knj h TYR 64 Ca 0.17 -0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.44 2knj h TYR 64 Cb 0.06 0.01 0.09 0.00 2.00 0.00 0.00 36.73 38.89 2knj h TYR 64 CO 0.00 -0.02 0.24 -0.59 -0.00 0.00 0.00 178.16 177.79 2knj s PHE 65 N -1.47 2.76 0.52 4.88 -0.12 0.54 -5.08 117.98 120.00 2knj s PHE 65 Ca -0.01 0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 57.27 2knj s PHE 65 Cb 0.00 -3.26 0.01 0.00 -0.63 0.00 0.00 43.02 39.14 2knj s PHE 65 CO 0.02 -1.53 0.76 0.95 -0.05 0.00 0.00 175.22 175.37 2knj s THR 66 N -3.30 3.46 0.33 -4.49 -4.23 -1.26 -4.66 115.64 101.49 2knj s THR 66 Ca 0.61 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 2knj s THR 66 Cb -0.10 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.62 2knj s THR 66 CO 0.45 -0.24 1.91 -1.13 -0.54 0.00 0.00 174.62 175.07 2knj h ASN 67 N 0.15 0.65 -0.00 3.99 -1.24 -1.98 -0.92 115.58 116.22 2knj h ASN 67 Ca -0.45 -0.08 -0.15 0.00 0.71 0.00 0.00 56.30 56.34 2knj h ASN 67 Cb 1.27 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.15 2knj h ASN 67 CO 0.57 0.60 -0.48 1.05 -1.29 0.00 0.00 177.43 177.88 2knj h GLU 68 N 0.70 0.55 -0.35 6.67 9.09 -1.99 -1.38 114.58 127.87 2knj h GLU 68 Ca 0.17 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 59.27 2knj h GLU 68 Cb 0.17 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 2knj h GLU 68 CO -0.01 0.91 0.23 0.37 0.05 0.00 0.00 179.01 180.56 2knj h GLN 69 N 0.44 0.46 0.00 1.06 -0.00 -1.63 -2.11 115.11 113.32 2knj h GLN 69 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2knj h GLN 69 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.38 2knj h GLN 69 CO 0.09 0.30 0.00 0.97 0.00 0.00 0.00 178.83 180.19 2knj h ILE 70 N 0.47 0.00 -0.03 2.39 6.09 -1.13 -1.38 117.51 123.92 2knj h ILE 70 Ca 0.13 -0.56 0.02 0.00 -1.37 0.00 0.00 64.86 63.08 2knj h ILE 70 Cb -0.05 1.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 2knj h ILE 70 CO -0.03 0.00 -0.09 0.50 -3.07 0.00 0.00 178.15 175.46 2knj h LYS 71 N 0.00 -0.14 0.08 2.19 1.63 -0.61 0.28 116.57 120.00 2knj h LYS 71 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2knj h LYS 71 Cb 0.74 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2knj h LYS 71 CO 0.00 -0.09 -0.07 0.93 -3.45 0.00 0.00 179.45 176.77 2knj h GLU 72 N -0.14 -0.15 0.00 1.90 3.07 -0.85 -1.68 114.58 116.73 2knj h GLU 72 Ca 0.05 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2knj h GLU 72 Cb 0.21 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2knj h GLU 72 CO -0.12 -0.10 0.00 -0.89 -1.40 0.00 0.00 179.01 176.50 2knj n ILE 73 N -5.18 1.00 -0.02 3.13 5.41 -0.59 -0.56 119.36 122.56 2knj n ILE 73 Ca -0.07 0.30 -0.16 0.00 1.00 0.00 0.00 62.75 63.82 2knj n ILE 73 Cb 0.10 -1.18 -0.13 0.00 -0.71 0.00 0.00 39.64 37.73 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 0.24 -0.05 1.39 2.76 0.49 0.54 115.15 120.52 2knj h HIS 74 Ca 0.00 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 57.93 2knj h HIS 74 Cb 0.26 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2knj h HIS 74 CO 0.00 1.08 -0.32 0.22 -1.30 0.00 0.00 177.93 177.61 2knj h ASP 75 N -0.66 0.10 -0.08 3.26 1.82 -1.28 0.28 116.42 119.85 2knj h ASP 75 Ca -0.05 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2knj h ASP 75 Cb 1.20 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 2knj h ASP 75 CO 0.06 0.42 0.04 0.00 -1.61 0.00 0.00 179.24 178.15 2knj h ALA 76 N 1.59 0.11 0.00 -0.78 0.00 -0.67 0.54 119.26 120.05 2knj h ALA 76 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2knj h ALA 76 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2knj h ALA 76 CO 0.04 -0.34 -0.48 0.00 0.00 0.00 0.00 179.25 178.48 2knj n ALA 77 N -2.18 3.03 -0.11 0.00 0.00 0.19 0.14 120.51 121.59 2knj n ALA 77 Ca -0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 2knj n ALA 77 Cb 0.09 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.84 1.55 1.21 0.00 -1.04 0.07 -3.45 114.28 110.77 2knj n THR 78 Ca 0.05 -0.33 0.13 0.00 -2.04 0.00 0.00 64.05 61.85 2knj n THR 78 Cb 0.39 -1.85 0.27 0.00 -1.82 0.00 0.00 70.33 67.32 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 -3.75 2.97 -3.63 2.41 0.00 0.19 -4.58 120.51 114.12 2knj n ALA 79 Ca -0.45 -0.52 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 2knj n ALA 79 Cb 0.86 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.37 2knj n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2knj s ASP 81 N -3.83 1.35 -0.55 0.00 2.15 -0.24 -4.97 116.67 110.59 2knj s ASP 81 Ca 0.32 -2.53 -0.25 0.00 0.43 0.00 0.00 52.55 50.52 2knj s ASP 81 Cb -0.15 -0.02 0.04 0.00 -0.30 0.00 0.00 42.92 42.50 2knj s ASP 81 CO 0.76 -0.20 0.98 -2.84 -0.17 0.00 0.00 175.17 173.71 2knj s PRO 82 N 0.55 3.38 -0.82 4.34 0.02 -1.26 -2.84 135.00 138.37 2knj s PRO 82 Ca 0.27 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.15 2knj s PRO 82 Cb -0.05 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.44 2knj s PRO 82 CO -0.11 -1.50 0.00 -1.91 -0.33 0.00 0.00 177.00 173.15 2knj n GLU 83 N 7.60 -0.54 -0.01 5.54 4.07 -1.26 -4.77 120.64 131.28 2knj n GLU 83 Ca 0.03 0.76 0.07 0.00 -0.06 0.00 0.00 57.16 57.97 2knj n GLU 83 Cb 0.48 -4.59 -0.11 0.00 -0.06 0.00 0.00 31.44 27.16 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2knj n ALA 84 N 1.07 2.90 -3.11 4.31 0.00 -1.25 -5.01 120.51 119.43 2knj n ALA 84 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2knj n ALA 84 Cb 0.26 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2knj n ALA 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2knj s HIS 85 N -2.88 -0.11 -0.58 0.00 5.65 -1.25 -5.10 115.29 111.02 2knj s HIS 85 Ca -0.03 0.08 0.06 0.00 0.25 0.00 0.00 55.06 55.42 2knj s HIS 85 Cb 0.10 0.07 0.31 0.00 -1.18 0.00 0.00 32.58 31.88 2knj s HIS 85 CO 0.62 -0.43 0.85 0.72 -0.65 0.00 0.00 174.74 175.86 2knj n HIS 86 N 0.99 3.52 -4.97 3.88 -0.00 -1.26 -4.71 115.22 112.67 2knj n HIS 86 Ca -0.20 -4.02 0.00 0.00 -0.00 0.00 0.00 57.72 53.49 2knj n HIS 86 Cb 0.57 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2knj n HIS 86 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2knj n GLU 87 N 0.20 0.00 -2.50 -0.41 1.02 -1.26 -5.01 120.64 112.68 2knj n GLU 87 Ca 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.41 2knj n GLU 87 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2knj n GLU 87 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2knj n HIS 88 N -1.07 -2.96 -3.64 -0.32 -0.00 -1.26 -5.06 115.22 100.92 2knj n HIS 88 Ca 0.00 1.26 -0.09 0.00 0.46 0.00 0.00 57.72 59.35 2knj n HIS 88 Cb 0.00 -3.50 -0.07 0.00 -0.12 0.00 0.00 29.99 26.30 2knj n HIS 88 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2knj s ASP 89 N -1.74 -0.69 0.00 0.26 2.15 -1.26 -5.21 116.67 110.18 2knj s ASP 89 Ca 0.09 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2knj s ASP 89 Cb -0.03 1.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.85 2knj s ASP 89 CO 0.61 -0.20 0.00 1.57 -0.17 0.00 0.00 175.17 176.98