#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 -0.64 0.00 -1.40 -0.00 -1.26 -4.84 115.22 107.08 2knj n HIS 2 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2knj n HIS 2 Cb 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 29.99 27.69 2knj n HIS 2 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2knj n GLN 3 N -1.94 3.73 0.00 -0.41 7.27 -1.26 -4.99 117.38 119.79 2knj n GLN 3 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 2knj n GLN 3 Cb 0.56 -0.53 0.00 0.00 2.41 0.00 0.00 30.24 32.67 2knj n GLN 3 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2knj n GLU 4 N -0.28 0.00 0.00 3.69 0.00 -1.26 -4.70 120.64 118.09 2knj n GLU 4 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2knj n GLU 4 Cb 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 31.44 30.93 2knj n GLU 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2knj n LEU 5 N -0.79 0.00 -2.71 -1.84 7.94 -1.26 -0.49 117.00 117.84 2knj n LEU 5 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2knj n LEU 5 Cb 0.00 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.06 2knj n LEU 5 CO 0.00 0.00 0.43 0.00 -1.11 0.00 0.00 177.39 176.71 2knj h THR 7 N 4.14 1.46 0.00 0.00 2.02 -1.06 0.67 112.91 120.13 2knj h THR 7 Ca -0.34 -2.45 -0.11 0.00 0.77 0.00 0.00 66.41 64.29 2knj h THR 7 Cb 1.29 3.10 -0.02 0.00 -1.74 0.00 0.00 68.15 70.78 2knj h THR 7 CO -0.06 0.66 -0.70 0.50 0.37 0.00 0.00 175.52 176.29 2knj h LYS 8 N -0.55 0.00 0.00 6.66 3.64 -1.91 -2.95 116.57 121.46 2knj h LYS 8 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2knj h LYS 8 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2knj h LYS 8 CO 0.08 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.06 2knj n GLY 9 N 1.25 -1.10 0.17 5.01 0.00 -1.24 -2.03 105.19 107.25 2knj n GLY 9 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2knj n GLY 9 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2knj h ASP 10 N 0.00 0.65 -0.56 1.61 3.58 -0.67 0.66 116.42 121.69 2knj h ASP 10 Ca 0.00 -0.68 -0.00 0.00 0.42 0.00 0.00 57.03 56.77 2knj h ASP 10 Cb 0.29 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2knj h ASP 10 CO 0.00 1.23 0.34 -0.78 -2.88 0.00 0.00 179.24 177.15 2knj h ASP 11 N 0.12 0.67 -0.77 2.28 3.58 -1.52 0.35 116.42 121.12 2knj h ASP 11 Ca -0.05 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2knj h ASP 11 Cb 1.25 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 2knj h ASP 11 CO 0.12 0.52 0.42 0.00 -2.88 0.00 0.00 179.24 177.42 2knj h ALA 12 N 1.17 0.99 0.00 -0.78 0.00 -1.41 -1.56 119.26 117.67 2knj h ALA 12 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2knj h ALA 12 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2knj h ALA 12 CO -0.04 0.51 0.00 1.25 0.00 0.00 0.00 179.25 180.97 2knj h LEU 13 N 1.07 0.00 -0.01 0.00 7.12 0.12 0.42 115.31 124.03 2knj h LEU 13 Ca 0.27 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.22 2knj h LEU 13 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 2knj h LEU 13 CO -0.04 0.00 -0.23 0.58 -0.13 0.00 0.00 178.44 178.62 2knj h VAL 14 N 0.00 1.53 -0.10 1.05 2.07 0.61 1.15 116.25 122.55 2knj h VAL 14 Ca 0.00 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.67 2knj h VAL 14 Cb 0.34 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2knj h VAL 14 CO 0.00 0.51 0.01 0.74 0.02 0.00 0.00 177.57 178.85 2knj h THR 15 N -0.47 0.94 0.00 2.57 2.02 -0.65 -1.42 112.91 115.90 2knj h THR 15 Ca -0.02 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2knj h THR 15 Cb 0.96 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2knj h THR 15 CO 0.05 0.01 -0.19 -0.33 0.37 0.00 0.00 175.52 175.42 2knj h GLU 16 N 0.05 0.00 -0.71 6.66 5.08 -0.22 -2.38 114.58 123.06 2knj h GLU 16 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2knj h GLU 16 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2knj h GLU 16 CO -0.07 0.19 0.40 1.37 -1.00 0.00 0.00 179.01 179.90 2knj h LEU 17 N 0.00 0.87 -1.46 1.33 8.10 0.24 1.27 115.31 125.67 2knj h LEU 17 Ca -0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 2knj h LEU 17 Cb 0.35 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2knj h LEU 17 CO 0.02 0.70 0.14 -0.08 -4.11 0.00 0.00 178.44 175.12 2knj h GLU 18 N 0.97 0.51 -0.01 0.17 4.81 -0.89 -0.59 114.58 119.54 2knj h GLU 18 Ca 0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2knj h GLU 18 Cb 0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2knj h GLU 18 CO -0.04 0.42 -0.04 0.00 -0.73 0.00 0.00 179.01 178.62 2knj n ILE 20 N -0.22 1.66 1.18 0.00 5.41 0.41 -3.82 119.36 123.98 2knj n ILE 20 Ca 0.19 -0.47 0.12 0.00 1.00 0.00 0.00 62.75 63.59 2knj n ILE 20 Cb 0.31 -1.77 0.24 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.74 1.55 0.00 0.38 1.74 -0.60 -4.27 116.66 111.71 2knj n ARG 21 Ca -0.36 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 2knj n ARG 21 Cb 0.94 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 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 0.27 0.26 0.00 0.55 -0.00 -1.04 -4.74 117.00 112.29 2knj n LEU 22 Ca 0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2knj n LEU 22 Cb 0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 2knj n LEU 22 CO 0.21 0.06 0.00 0.54 -0.00 0.00 0.00 177.39 178.21 2knj n ARG 23 N 0.05 0.00 0.00 1.47 5.12 -1.26 -4.86 116.66 117.19 2knj n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2knj n ARG 23 Cb 0.06 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2knj n ILE 24 N -1.15 0.00 0.01 0.55 5.41 -1.26 -4.66 119.36 118.26 2knj n ILE 24 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2knj n ILE 24 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2knj n ILE 24 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2knj n SER 25 N 10.82 -0.14 -3.19 4.38 2.88 -1.26 -4.77 113.62 122.34 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 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -2.53 1.77 0.00 -1.46 -0.02 -1.26 -4.74 135.00 126.77 2knj n PRO 26 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2knj n PRO 26 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 33.80 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 0.00 0.32 -0.20 -0.52 -0.58 -1.26 -4.21 120.64 114.20 2knj n GLU 27 Ca 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.75 2knj n GLU 27 Cb 0.00 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 -1.04 -0.27 -0.05 2.62 5.66 -1.26 -0.48 114.28 119.46 2knj n THR 28 Ca 0.08 1.19 -0.14 0.00 -3.05 0.00 0.00 64.05 62.12 2knj n THR 28 Cb 0.04 -1.56 -0.07 0.00 -1.55 0.00 0.00 70.33 67.19 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 0.49 -0.19 1.09 -0.26 -1.83 -0.52 115.58 114.37 2knj h ASN 29 Ca 0.17 -0.56 -0.05 0.00 -0.56 0.00 0.00 56.30 55.30 2knj h ASN 29 Cb 0.29 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 2knj h ASN 29 CO -0.50 0.96 -0.06 0.00 -1.06 0.00 0.00 177.43 176.77 2knj h ALA 30 N 0.55 0.26 0.25 -0.83 0.00 -1.62 -2.13 119.26 115.74 2knj h ALA 30 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2knj h ALA 30 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2knj h ALA 30 CO 0.06 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 2knj h ALA 31 N 0.71 -0.72 -0.44 0.00 0.00 -0.70 -2.36 119.26 115.75 2knj h ALA 31 Ca 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2knj h ALA 31 Cb 0.52 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2knj h ALA 31 CO 0.02 -0.70 0.29 0.74 0.00 0.00 0.00 179.25 179.60 2knj h PHE 32 N -0.47 0.39 0.21 0.00 0.04 -1.25 0.18 116.94 116.04 2knj h PHE 32 Ca -0.03 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2knj h PHE 32 Cb 0.25 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2knj h PHE 32 CO 0.09 0.22 -0.20 0.22 -0.60 0.00 0.00 178.31 178.05 2knj h ASP 33 N 0.40 -0.52 -0.87 2.17 3.58 -1.38 1.09 116.42 120.88 2knj h ASP 33 Ca 0.19 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2knj h ASP 33 Cb 0.23 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2knj h ASP 33 CO -0.04 -0.29 0.51 -1.13 -2.88 0.00 0.00 179.24 175.40 2knj h ASN 34 N -0.43 1.07 0.08 2.28 -1.24 -0.85 0.60 115.58 117.08 2knj h ASN 34 Ca -0.00 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 2knj h ASN 34 Cb 0.40 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2knj h ASN 34 CO -0.04 0.84 -0.04 0.00 -1.29 0.00 0.00 177.43 176.90 2knj h ALA 35 N 1.34 -0.11 0.00 1.57 0.00 0.08 -1.48 119.26 120.66 2knj h ALA 35 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2knj h ALA 35 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2knj h ALA 35 CO -0.05 -0.36 0.00 0.28 0.00 0.00 0.00 179.25 179.12 2knj n VAL 36 N -4.95 0.56 0.08 0.00 0.31 0.37 -0.72 118.33 113.98 2knj n VAL 36 Ca -0.08 0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2knj n VAL 36 Cb 0.23 -0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2knj n VAL 36 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2knj h GLN 37 N 0.00 0.26 0.85 5.55 7.50 -0.57 0.50 115.11 129.20 2knj h GLN 37 Ca 0.00 -0.26 -0.04 0.00 0.50 0.00 0.00 58.65 58.85 2knj h GLN 37 Cb 0.38 0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2knj h GLN 37 CO 0.00 0.97 -0.45 1.96 -1.50 0.00 0.00 178.83 179.81 2knj h GLN 38 N 0.15 -1.15 0.00 1.46 4.20 0.15 -2.88 115.11 117.04 2knj h GLN 38 Ca -0.05 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2knj h GLN 38 Cb 1.47 0.26 0.00 0.00 0.30 0.00 0.00 27.48 29.51 2knj h GLN 38 CO 0.14 -0.77 0.00 1.37 -0.67 0.00 0.00 178.83 178.90 2knj h LEU 39 N -1.19 0.00 -1.25 1.46 -0.00 -1.54 -3.46 115.31 109.33 2knj h LEU 39 Ca -0.12 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.18 2knj h LEU 39 Cb 0.93 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.31 2knj h LEU 39 CO 0.17 0.00 -0.88 -0.46 -0.00 0.00 0.00 178.44 177.27 2knj n ASN 40 N -3.05 -2.26 0.00 0.17 0.23 0.17 -4.79 115.26 105.74 2knj n ASN 40 Ca 0.01 -1.13 0.12 0.00 -0.53 0.00 0.00 54.58 53.05 2knj n ASN 40 Cb 0.29 -2.21 0.71 0.00 -2.08 0.00 0.00 39.78 36.50 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2knj n LEU 42 N -0.91 -1.48 -3.27 0.00 4.77 -1.26 -4.89 117.00 109.97 2knj n LEU 42 Ca 0.18 0.19 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 2knj n LEU 42 Cb 0.08 -2.54 -0.03 0.00 -2.33 0.00 0.00 43.42 38.60 2knj n LEU 42 CO 0.13 -0.41 0.55 0.21 -1.33 0.00 0.00 177.39 176.54 2knj s ASN 43 N -2.17 -0.63 0.51 -1.43 2.47 -1.26 -5.03 114.94 107.40 2knj s ASN 43 Ca 0.00 0.60 0.29 0.00 0.42 0.00 0.00 52.86 54.17 2knj s ASN 43 Cb 0.00 1.61 1.34 0.00 -1.45 0.00 0.00 41.25 42.75 2knj s ASN 43 CO 0.00 -0.12 2.00 0.03 -3.72 0.00 0.00 177.10 175.29 2knj h ARG 44 N 7.76 0.00 0.00 0.43 3.08 -1.93 -1.01 114.38 122.70 2knj h ARG 44 Ca -0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2knj h ARG 44 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2knj h ARG 44 CO 0.03 0.12 -0.45 0.00 -1.07 0.00 0.00 179.97 178.60 2knj h ALA 45 N 1.88 1.10 -0.05 0.04 0.00 -1.95 -2.11 119.26 118.16 2knj h ALA 45 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2knj h ALA 45 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2knj h ALA 45 CO 0.02 0.56 -0.43 0.00 0.00 0.00 0.00 179.25 179.40 2knj h ALA 47 N 1.47 -0.78 -0.46 0.00 0.00 -1.35 -1.39 119.26 116.76 2knj h ALA 47 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2knj h ALA 47 Cb 0.80 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2knj h ALA 47 CO 0.06 -0.75 0.49 1.88 0.00 0.00 0.00 179.25 180.93 2knj h TYR 48 N -0.46 0.00 0.14 0.00 0.05 -1.38 0.37 116.97 115.69 2knj h TYR 48 Ca -0.04 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.50 2knj h TYR 48 Cb 0.26 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.03 2knj h TYR 48 CO 0.10 0.00 -1.04 -0.09 -1.05 0.00 0.00 178.16 176.08 2knj h ARG 49 N 0.00 0.46 0.04 4.88 2.43 -1.10 -1.59 114.38 119.50 2knj h ARG 49 Ca 0.22 -0.68 -0.25 0.00 -0.81 0.00 0.00 59.98 58.46 2knj h ARG 49 Cb 1.20 0.24 0.01 0.00 -0.42 0.00 0.00 29.97 30.99 2knj h ARG 49 CO -0.00 1.30 -1.06 -0.22 -1.51 0.00 0.00 179.97 178.48 2knj h LYS 50 N -0.04 0.45 -0.92 0.20 3.64 0.01 -0.96 116.57 118.94 2knj h LYS 50 Ca -0.17 -0.54 0.14 0.00 -1.27 0.00 0.00 60.65 58.81 2knj h LYS 50 Cb 1.78 0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 33.62 2knj h LYS 50 CO 0.20 1.19 -0.41 1.98 -2.27 0.00 0.00 179.45 180.14 2knj h MET 51 N 0.23 -0.03 -0.92 1.90 4.05 -0.45 0.92 114.93 120.62 2knj h MET 51 Ca -0.11 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2knj h MET 51 Cb 1.72 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.46 2knj h MET 51 CO 0.19 -0.02 0.59 0.00 0.23 0.00 0.00 176.91 177.90 2knj h ALA 53 N 1.54 0.22 0.00 0.00 0.00 0.07 -3.46 119.26 117.63 2knj h ALA 53 Ca 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knj h ALA 53 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2knj h ALA 53 CO -0.18 0.40 0.00 -2.37 0.00 0.00 0.00 179.25 177.10 2knj n THR 54 N -4.22 0.00 0.00 0.00 5.66 0.31 -5.04 114.28 110.99 2knj n THR 54 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2knj n THR 54 Cb 0.60 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -3.38 0.00 0.00 1.09 0.23 -0.38 -4.78 115.26 108.05 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 -0.46 -0.93 0.00 0.00 177.26 175.87 2knj n ASN 56 N 0.00 0.00 0.30 0.53 0.23 -1.26 -4.11 115.26 110.94 2knj n ASN 56 Ca 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.23 2knj n ASN 56 Cb 0.00 0.04 0.95 0.00 -2.08 0.00 0.00 39.78 38.68 2knj n ASN 56 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 2knj h LEU 57 N 0.00 0.00 -0.99 -4.53 8.10 -1.82 -2.91 115.31 113.16 2knj h LEU 57 Ca 0.00 0.00 0.33 0.00 0.11 0.00 0.00 57.88 58.32 2knj h LEU 57 Cb 0.00 0.00 -0.18 0.00 -0.44 0.00 0.00 40.66 40.04 2knj h LEU 57 CO 0.00 0.00 0.24 -0.62 -4.11 0.00 0.00 178.44 173.95 2knj n GLU 58 N -3.19 -0.07 0.00 0.17 -0.58 -1.26 -2.49 120.64 113.22 2knj n GLU 58 Ca -0.01 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 2knj n GLU 58 Cb 0.28 -2.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 2knj n GLU 58 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2knj n GLN 59 N -5.38 0.00 0.12 3.49 6.02 -1.10 -1.71 117.38 118.82 2knj n GLN 59 Ca 0.29 0.65 -0.24 0.00 -0.01 0.00 0.00 57.00 57.70 2knj n GLN 59 Cb 0.98 -1.45 -0.15 0.00 1.02 0.00 0.00 30.24 30.63 2knj n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2knj h ALA 60 N -1.64 -0.05 -0.94 -1.58 0.00 -1.80 -2.57 119.26 110.68 2knj h ALA 60 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 54.91 53.97 2knj h ALA 60 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2knj h ALA 60 CO 0.00 0.82 0.62 0.00 0.00 0.00 0.00 179.25 180.69 2knj h MET 61 N 0.13 1.22 0.00 0.00 -0.00 -1.57 0.10 114.93 114.82 2knj h MET 61 Ca -0.28 -0.07 -0.13 0.00 -0.00 0.00 0.00 59.70 59.23 2knj h MET 61 Cb 2.14 -0.28 -0.02 0.00 -0.00 0.00 0.00 31.60 33.45 2knj h MET 61 CO 0.24 0.81 -0.60 0.66 -0.00 0.00 0.00 176.91 178.03 2knj h SER 62 N 1.26 0.00 -0.81 -0.10 4.64 -1.35 0.26 113.55 117.45 2knj h SER 62 Ca 0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.65 2knj h SER 62 Cb -0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 2knj h SER 62 CO -0.08 0.60 0.43 0.58 -0.87 0.00 0.00 176.83 177.48 2knj h VAL 63 N 0.00 1.24 0.02 0.95 2.07 -0.86 -3.36 116.25 116.32 2knj h VAL 63 Ca -0.01 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2knj h VAL 63 Cb 1.12 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2knj h VAL 63 CO 0.08 0.28 -0.01 1.88 0.02 0.00 0.00 177.57 179.82 2knj h TYR 64 N 1.13 -0.03 -3.44 1.57 -1.99 -0.32 -3.47 116.97 110.42 2knj h TYR 64 Ca 0.28 -0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.53 2knj h TYR 64 Cb 0.06 0.01 0.03 0.00 2.00 0.00 0.00 36.73 38.83 2knj h TYR 64 CO 0.01 -0.02 0.07 -0.59 -0.00 0.00 0.00 178.16 177.63 2knj s PHE 65 N -1.38 3.53 0.74 4.88 -0.12 0.88 -5.08 117.98 121.43 2knj s PHE 65 Ca -0.00 0.72 -0.05 0.00 -0.05 0.00 0.00 56.93 57.55 2knj s PHE 65 Cb 0.00 -2.27 0.11 0.00 -0.63 0.00 0.00 43.02 40.24 2knj s PHE 65 CO 0.01 -0.25 1.03 0.95 -0.05 0.00 0.00 175.22 176.91 2knj s THR 66 N -2.69 2.21 0.15 -4.49 -4.23 -1.26 -4.44 115.64 100.89 2knj s THR 66 Ca 0.47 -0.42 -0.13 0.00 -1.18 0.00 0.00 61.69 60.43 2knj s THR 66 Cb -0.10 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2knj s THR 66 CO 0.43 0.00 1.63 -1.13 -0.54 0.00 0.00 174.62 175.01 2knj h ASN 67 N -0.68 0.81 -0.51 3.99 -0.73 -1.98 -0.96 115.58 115.53 2knj h ASN 67 Ca -0.40 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 57.49 2knj h ASN 67 Cb 1.28 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.62 2knj h ASN 67 CO 0.46 0.88 0.30 1.05 -0.37 0.00 0.00 177.43 179.75 2knj h GLU 68 N 0.71 0.71 -0.55 6.67 4.11 -1.99 0.30 114.58 124.55 2knj h GLU 68 Ca 0.15 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.48 2knj h GLU 68 Cb 0.43 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2knj h GLU 68 CO 0.01 0.51 0.23 0.37 0.07 0.00 0.00 179.01 180.20 2knj h GLN 69 N 0.73 0.83 0.00 1.06 -0.00 -1.72 -2.20 115.11 113.81 2knj h GLN 69 Ca 0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2knj h GLN 69 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.34 2knj h GLN 69 CO -0.03 0.71 -0.27 1.51 0.00 0.00 0.00 178.83 180.75 2knj n ILE 70 N -4.51 0.07 -0.02 2.39 0.13 -0.44 -1.65 119.36 115.33 2knj n ILE 70 Ca 0.03 -0.04 -0.11 0.00 -1.10 0.00 0.00 62.75 61.53 2knj n ILE 70 Cb 0.16 -0.15 -0.05 0.00 -0.84 0.00 0.00 39.64 38.76 2knj n ILE 70 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 2knj h LYS 71 N 0.00 0.18 0.45 9.51 1.57 0.05 0.14 116.57 128.47 2knj h LYS 71 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2knj h LYS 71 Cb 0.54 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2knj h LYS 71 CO 0.00 0.17 -0.26 0.93 -0.57 0.00 0.00 179.45 179.72 2knj h GLU 72 N 0.14 -0.65 0.00 3.15 5.08 -0.99 -2.28 114.58 119.03 2knj h GLU 72 Ca 0.05 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2knj h GLU 72 Cb 0.04 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2knj h GLU 72 CO -0.01 -0.43 -0.21 0.82 -1.00 0.00 0.00 179.01 178.18 2knj h ILE 73 N -0.67 0.97 0.23 3.13 2.04 -1.33 0.27 117.51 122.15 2knj h ILE 73 Ca -0.05 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2knj h ILE 73 Cb 0.55 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2knj h ILE 73 CO 0.06 0.21 -0.11 -0.74 0.00 0.00 0.00 178.15 177.57 2knj h HIS 74 N 0.00 -0.28 0.00 1.37 2.76 -0.44 0.79 115.15 119.35 2knj h HIS 74 Ca -0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2knj h HIS 74 Cb 0.42 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2knj h HIS 74 CO 0.00 -0.02 -0.39 0.22 -1.30 0.00 0.00 177.93 176.44 2knj h ASP 75 N -0.52 0.00 -0.33 3.26 3.58 -1.17 -0.43 116.42 120.81 2knj h ASP 75 Ca -0.03 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 2knj h ASP 75 Cb 0.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2knj h ASP 75 CO 0.05 0.39 -0.14 0.00 -2.88 0.00 0.00 179.24 176.66 2knj h ALA 76 N 1.61 0.96 -0.00 -0.78 0.00 -0.13 0.29 119.26 121.20 2knj h ALA 76 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2knj h ALA 76 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2knj h ALA 76 CO 0.05 0.61 -0.66 0.00 0.00 0.00 0.00 179.25 179.25 2knj n ALA 77 N -2.49 3.96 -0.12 0.00 0.00 0.27 -0.15 120.51 121.98 2knj n ALA 77 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.71 2knj n ALA 77 Cb 0.38 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.28 1.54 0.51 0.00 -1.04 -0.22 -4.25 114.28 109.54 2knj n THR 78 Ca 0.06 -0.27 0.11 0.00 -2.04 0.00 0.00 64.05 61.91 2knj n THR 78 Cb 0.35 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.88 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 -3.87 3.53 -2.33 2.41 0.00 0.10 -4.63 120.51 115.71 2knj n ALA 79 Ca -0.46 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.45 2knj n ALA 79 Cb 0.82 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 0.62 3.45 -1.61 0.00 9.92 -1.09 -4.93 116.55 122.90 2knj n ASP 81 Ca -0.05 -3.27 -0.11 0.00 -0.53 0.00 0.00 54.79 50.82 2knj n ASP 81 Cb 0.54 -0.78 0.07 0.00 -0.64 0.00 0.00 41.12 40.31 2knj n ASP 81 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2knj n PRO 82 N 1.69 1.58 0.00 -0.24 -0.05 -1.26 -3.22 135.00 133.50 2knj n PRO 82 Ca 0.23 -1.33 0.00 0.00 -0.05 0.00 0.00 63.50 62.35 2knj n PRO 82 Cb 0.37 -1.52 0.00 0.00 -0.05 0.00 0.00 33.50 32.30 2knj n PRO 82 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2knj n GLU 83 N -0.05 0.00 0.22 0.54 2.13 -1.26 -4.39 120.64 117.82 2knj n GLU 83 Ca 0.26 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.15 2knj n GLU 83 Cb 0.90 0.00 0.57 0.00 0.27 0.00 0.00 31.44 33.18 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 1.86 -2.27 4.31 0.00 -1.93 -3.43 119.26 117.79 2knj h ALA 84 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 84 Cb 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.61 2knj h ALA 84 CO 0.00 0.11 -0.66 -1.01 0.00 0.00 0.00 179.25 177.69 2knj s HIS 85 N -4.97 0.53 -0.43 0.00 3.76 -1.24 -5.09 115.29 107.86 2knj s HIS 85 Ca -0.05 -1.06 0.10 0.00 -0.15 0.00 0.00 55.06 53.90 2knj s HIS 85 Cb 0.17 -0.38 0.34 0.00 1.11 0.00 0.00 32.58 33.82 2knj s HIS 85 CO 0.69 -0.40 0.79 1.58 -0.85 0.00 0.00 174.74 176.54 2knj n HIS 86 N 0.08 1.26 -1.62 1.40 -0.00 -1.26 -4.67 115.22 110.41 2knj n HIS 86 Ca -0.13 -3.87 -0.00 0.00 0.46 0.00 0.00 57.72 54.18 2knj n HIS 86 Cb 0.61 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 2knj n HIS 86 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2knj n GLU 87 N 0.17 -0.15 -0.47 1.57 -0.58 -1.26 -4.87 120.64 115.05 2knj n GLU 87 Ca 0.27 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 2knj n GLU 87 Cb 0.58 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2knj n GLU 87 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2knj n HIS 88 N -0.76 -1.28 -2.52 -0.32 8.25 -1.26 -4.73 115.22 112.60 2knj n HIS 88 Ca 0.01 0.69 -0.40 0.00 -0.26 0.00 0.00 57.72 57.75 2knj n HIS 88 Cb 0.26 -1.61 -0.03 0.00 1.12 0.00 0.00 29.99 29.73 2knj n HIS 88 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2knj s ASP 89 N -2.95 6.26 0.00 0.41 1.11 -1.26 -5.10 116.67 115.14 2knj s ASP 89 Ca 0.00 -0.92 0.00 0.00 0.18 0.00 0.00 52.55 51.81 2knj s ASP 89 Cb 0.00 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2knj s ASP 89 CO 0.00 -1.73 0.00 1.57 1.18 0.00 0.00 175.17 176.19