#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 -0.83 4.41 -0.00 -1.26 -4.77 115.22 112.77 2knj n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2knj n HIS 2 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 29.99 28.84 2knj n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2knj n GLN 3 N -0.80 -1.47 -1.09 1.57 10.64 -1.26 -4.86 117.38 120.11 2knj n GLN 3 Ca 0.00 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.52 2knj n GLN 3 Cb 0.00 -4.75 0.00 0.00 -0.86 0.00 0.00 30.24 24.63 2knj n GLN 3 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2knj n GLU 4 N 0.21 0.11 -2.75 2.61 -0.00 -1.26 -4.63 120.64 114.93 2knj n GLU 4 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 56.94 2knj n GLU 4 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.81 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 0.00 -2.33 -3.05 -1.84 7.94 -1.12 -3.10 117.00 113.51 2knj n LEU 5 Ca 0.00 -0.16 -0.01 0.00 -1.11 0.00 0.00 56.01 54.72 2knj n LEU 5 Cb 0.00 -2.94 0.01 0.00 0.53 0.00 0.00 43.42 41.01 2knj n LEU 5 CO 0.00 0.03 0.32 0.00 -1.11 0.00 0.00 177.39 176.63 2knj h THR 7 N 0.32 1.14 -2.10 0.00 1.03 -1.80 -2.55 112.91 108.95 2knj h THR 7 Ca -0.05 -0.64 -0.75 0.00 -0.01 0.00 0.00 66.41 64.95 2knj h THR 7 Cb 1.03 1.30 -0.30 0.00 -1.07 0.00 0.00 68.15 69.11 2knj h THR 7 CO 0.31 0.19 0.72 0.29 -0.01 0.00 0.00 175.52 177.02 2knj n LYS 8 N -4.32 4.07 0.00 0.00 5.02 -1.26 -4.94 118.16 116.73 2knj n LYS 8 Ca -0.02 -4.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 2knj n LYS 8 Cb 0.24 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 -0.29 -3.20 0.52 0.72 0.00 -0.96 -0.70 105.19 101.27 2knj n GLY 9 Ca 0.47 0.65 -0.20 0.00 0.00 0.00 0.00 46.02 46.94 2knj n GLY 9 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2knj h ASP 10 N 0.00 -1.15 0.49 1.61 3.32 -1.92 -1.76 116.42 117.01 2knj h ASP 10 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2knj h ASP 10 Cb 0.00 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2knj h ASP 10 CO 0.00 -0.78 -0.42 0.44 -1.72 0.00 0.00 179.24 176.77 2knj h ASP 11 N -1.26 -1.11 -0.27 6.45 5.19 -1.96 0.13 116.42 123.58 2knj h ASP 11 Ca -0.12 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 2knj h ASP 11 Cb 0.99 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 2knj h ASP 11 CO 0.18 -0.59 -0.18 0.00 -3.12 0.00 0.00 179.24 175.52 2knj h ALA 12 N -0.60 0.39 0.00 3.45 0.00 -1.01 -1.69 119.26 119.80 2knj h ALA 12 Ca -0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2knj h ALA 12 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2knj h ALA 12 CO -0.02 0.31 -0.65 1.25 0.00 0.00 0.00 179.25 180.14 2knj h LEU 13 N 0.34 0.00 -0.54 0.00 5.85 -1.23 0.14 115.31 119.87 2knj h LEU 13 Ca 0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2knj h LEU 13 Cb 0.71 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2knj h LEU 13 CO 0.05 0.65 0.11 0.58 -0.34 0.00 0.00 178.44 179.48 2knj h VAL 14 N 0.00 1.25 -0.17 1.05 2.07 -0.70 0.52 116.25 120.27 2knj h VAL 14 Ca -0.01 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2knj h VAL 14 Cb 1.25 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2knj h VAL 14 CO 0.08 0.34 0.10 0.74 0.02 0.00 0.00 177.57 178.85 2knj h THR 15 N 0.78 1.01 -0.68 2.57 2.02 -0.54 -1.66 112.91 116.42 2knj h THR 15 Ca 0.17 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 2knj h THR 15 Cb 0.38 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2knj h THR 15 CO 0.01 0.04 0.16 -0.33 0.37 0.00 0.00 175.52 175.76 2knj h GLU 16 N 0.20 1.08 -0.44 6.66 5.08 -0.53 -1.55 114.58 125.08 2knj h GLU 16 Ca 0.07 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2knj h GLU 16 Cb -0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2knj h GLU 16 CO -0.04 0.96 0.01 1.37 -1.00 0.00 0.00 179.01 180.31 2knj h LEU 17 N 1.02 0.67 -1.31 1.33 8.10 0.39 1.02 115.31 126.53 2knj h LEU 17 Ca 0.21 -0.15 -0.07 0.00 0.11 0.00 0.00 57.88 57.99 2knj h LEU 17 Cb 0.37 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 2knj h LEU 17 CO 0.00 0.73 -0.32 -0.33 -4.11 0.00 0.00 178.44 174.42 2knj h GLU 18 N 0.66 0.00 -0.01 0.17 5.08 -1.09 0.74 114.58 120.14 2knj h GLU 18 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2knj h GLU 18 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2knj h GLU 18 CO 0.01 0.32 -0.18 0.00 -1.00 0.00 0.00 179.01 178.16 2knj n ILE 20 N -0.70 1.16 1.37 0.00 5.41 0.32 -4.12 119.36 122.80 2knj n ILE 20 Ca 0.14 -0.75 0.14 0.00 1.00 0.00 0.00 62.75 63.27 2knj n ILE 20 Cb 0.32 -0.55 0.51 0.00 -0.71 0.00 0.00 39.64 39.21 2knj n ILE 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2knj n ARG 21 N -2.75 0.90 0.00 0.38 0.00 0.14 -3.80 116.66 111.53 2knj n ARG 21 Ca -0.20 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.21 2knj n ARG 21 Cb 0.97 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.94 2knj n ARG 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2knj n LEU 22 N -0.67 0.30 0.00 6.15 -0.00 -1.22 -4.72 117.00 116.84 2knj n LEU 22 Ca 0.14 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2knj n LEU 22 Cb 0.31 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2knj n LEU 22 CO 0.23 0.08 0.00 -1.14 -0.00 0.00 0.00 177.39 176.56 2knj n ARG 23 N -0.11 0.00 0.00 1.47 0.63 -1.25 -4.79 116.66 112.61 2knj n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2knj n ARG 23 Cb 0.08 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.26 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2knj n ILE 24 N -1.73 0.00 0.00 5.15 2.08 -1.26 -4.71 119.36 118.88 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 10.10 0.00 -3.13 4.38 2.88 -1.26 -4.73 113.62 121.86 2knj n SER 25 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2knj n SER 25 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.00 -1.08 0.00 -1.46 -0.02 -1.26 -4.79 135.00 126.39 2knj n PRO 26 Ca 0.00 -0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.22 2knj n PRO 26 Cb 0.00 -0.51 0.18 0.00 -0.02 0.00 0.00 33.50 33.15 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 -1.65 0.19 -0.24 -0.52 -0.58 -1.26 -4.06 120.64 112.52 2knj n GLU 27 Ca 0.03 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.78 2knj n GLU 27 Cb 0.12 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.55 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 0.33 2.62 5.66 -1.26 -0.47 114.28 119.87 2knj n THR 28 Ca 0.04 1.46 -0.17 0.00 -3.05 0.00 0.00 64.05 62.34 2knj n THR 28 Cb 0.02 -1.97 -0.09 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 -0.70 0.26 1.09 -0.26 -1.86 -0.63 115.58 113.48 2knj h ASN 29 Ca 0.25 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 2knj h ASN 29 Cb 0.41 0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 2knj h ASN 29 CO -0.63 -0.46 -0.12 0.00 -1.06 0.00 0.00 177.43 175.15 2knj h ALA 30 N -0.51 -0.35 0.40 -0.83 0.00 -1.67 -1.03 119.26 115.27 2knj h ALA 30 Ca -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2knj h ALA 30 Cb 0.65 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2knj h ALA 30 CO 0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 179.25 178.62 2knj h ALA 31 N -0.06 -1.10 -0.23 0.00 0.00 -0.75 -1.52 119.26 115.61 2knj h ALA 31 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2knj h ALA 31 Cb 0.47 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2knj h ALA 31 CO 0.06 -1.07 0.25 0.74 0.00 0.00 0.00 179.25 179.23 2knj h PHE 32 N -0.59 0.00 0.77 0.00 0.04 -1.25 0.23 116.94 116.14 2knj h PHE 32 Ca -0.05 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2knj h PHE 32 Cb 0.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 2knj h PHE 32 CO 0.03 0.00 -0.49 0.22 -0.60 0.00 0.00 178.31 177.47 2knj h ASP 33 N 0.00 -1.24 1.09 2.17 3.58 -0.16 0.92 116.42 122.78 2knj h ASP 33 Ca 0.11 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 2knj h ASP 33 Cb 0.61 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2knj h ASP 33 CO -0.00 -0.74 -0.26 -0.55 -2.88 0.00 0.00 179.24 174.80 2knj h ASN 34 N -1.18 0.00 0.50 2.28 -1.07 -1.06 -1.01 115.58 114.03 2knj h ASN 34 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.24 2knj h ASN 34 Cb 0.95 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.21 2knj h ASN 34 CO 0.10 0.26 -0.24 0.00 0.07 0.00 0.00 177.43 177.62 2knj h ALA 35 N 1.74 -0.66 0.00 4.14 0.00 -0.17 -2.08 119.26 122.23 2knj h ALA 35 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2knj h ALA 35 Cb 0.88 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2knj h ALA 35 CO 0.03 -0.72 0.00 0.28 0.00 0.00 0.00 179.25 178.85 2knj h VAL 36 N -0.98 0.00 -0.78 0.00 2.07 0.87 0.32 116.25 117.75 2knj h VAL 36 Ca -0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2knj h VAL 36 Cb 0.60 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2knj h VAL 36 CO 0.11 0.00 0.42 -0.61 0.02 0.00 0.00 177.57 177.51 2knj h GLN 37 N 0.00 1.10 0.45 1.57 5.75 -1.00 0.45 115.11 123.43 2knj h GLN 37 Ca 0.00 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 2knj h GLN 37 Cb 0.35 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2knj h GLN 37 CO 0.00 0.82 -0.24 1.96 -2.65 0.00 0.00 178.83 178.72 2knj h GLN 38 N 1.09 -0.61 0.00 1.69 4.20 0.34 -2.97 115.11 118.84 2knj h GLN 38 Ca 0.27 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2knj h GLN 38 Cb 0.05 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2knj h GLN 38 CO -0.04 -0.41 0.00 1.47 -0.67 0.00 0.00 178.83 179.18 2knj n LEU 39 N -3.83 0.00 -4.02 1.46 -0.00 -0.98 -4.83 117.00 104.81 2knj n LEU 39 Ca -0.08 0.40 -0.32 0.00 -0.00 0.00 0.00 56.01 56.02 2knj n LEU 39 Cb 0.26 -0.40 -0.06 0.00 -0.00 0.00 0.00 43.42 43.22 2knj n LEU 39 CO 0.19 -0.20 -0.12 -0.46 -0.00 0.00 0.00 177.39 176.80 2knj n ASN 40 N -1.40 -1.66 0.06 1.45 2.04 0.16 -4.74 115.26 111.16 2knj n ASN 40 Ca 0.05 -0.80 0.13 0.00 -0.44 0.00 0.00 54.58 53.53 2knj n ASN 40 Cb 0.15 -1.48 0.49 0.00 -2.53 0.00 0.00 39.78 36.41 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2knj n LEU 42 N -1.94 0.00 -4.76 0.00 -0.00 -1.26 -4.86 117.00 104.18 2knj n LEU 42 Ca 0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.67 2knj n LEU 42 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 2knj n LEU 42 CO 0.29 0.00 0.83 0.54 -0.00 0.00 0.00 177.39 179.05 2knj s ASN 43 N 0.00 6.99 0.13 1.96 4.22 -1.26 -4.94 114.94 122.04 2knj s ASN 43 Ca 0.00 2.35 0.26 0.00 -2.14 0.00 0.00 52.86 53.33 2knj s ASN 43 Cb 0.00 -2.63 0.68 0.00 1.28 0.00 0.00 41.25 40.58 2knj s ASN 43 CO 0.00 -0.35 1.60 0.54 -2.04 0.00 0.00 177.10 176.85 2knj n ARG 44 N 0.80 0.21 0.21 3.55 3.00 -1.26 -3.08 116.66 120.09 2knj n ARG 44 Ca 0.01 0.12 0.05 0.00 -0.01 0.00 0.00 57.85 58.01 2knj n ARG 44 Cb 0.45 -1.69 0.47 0.00 0.00 0.00 0.00 32.46 31.68 2knj n ARG 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2knj h ALA 45 N 2.63 1.48 -0.05 7.54 0.00 -1.92 -1.40 119.26 127.56 2knj h ALA 45 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2knj h ALA 45 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2knj h ALA 45 CO 0.00 0.33 -0.53 0.00 0.00 0.00 0.00 179.25 179.05 2knj h ALA 47 N 1.36 0.02 0.00 0.00 0.00 -1.50 -2.20 119.26 116.94 2knj h ALA 47 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2knj h ALA 47 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2knj h ALA 47 CO 0.08 -0.23 0.00 0.66 0.00 0.00 0.00 179.25 179.76 2knj n TYR 48 N -4.83 0.00 -0.21 0.00 4.01 -0.60 -0.80 117.16 114.73 2knj n TYR 48 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 2knj n TYR 48 Cb 0.26 -0.46 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 2knj n TYR 48 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2knj h ARG 49 N 0.00 1.00 -0.05 -0.72 2.43 0.39 0.41 114.38 117.84 2knj h ARG 49 Ca 0.00 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 2knj h ARG 49 Cb 0.34 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 2knj h ARG 49 CO 0.00 0.94 -0.51 -0.22 -1.51 0.00 0.00 179.97 178.67 2knj h LYS 50 N 0.90 -0.60 -1.04 0.20 3.11 -0.36 0.70 116.57 119.48 2knj h LYS 50 Ca 0.18 0.04 0.29 0.00 -2.81 0.00 0.00 60.65 58.35 2knj h LYS 50 Cb 0.43 0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.74 2knj h LYS 50 CO 0.01 -0.40 0.73 1.98 -2.81 0.00 0.00 179.45 178.96 2knj h MET 51 N -0.62 0.09 -0.01 1.90 4.05 -1.15 0.82 114.93 120.00 2knj h MET 51 Ca 0.03 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2knj h MET 51 Cb 0.70 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2knj h MET 51 CO -0.38 0.06 -0.50 0.00 0.23 0.00 0.00 176.91 176.32 2knj n ALA 53 N -0.70 2.07 0.13 0.00 0.00 0.25 -2.78 120.51 119.47 2knj n ALA 53 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2knj n ALA 53 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2knj n ALA 53 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2knj n THR 54 N -1.10 0.00 -3.63 0.00 5.66 0.96 -4.70 114.28 111.47 2knj n THR 54 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2knj n THR 54 Cb 0.00 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.66 2knj n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2knj s ASN 55 N -2.04 -0.72 0.00 1.09 4.22 -1.26 -4.84 114.94 111.39 2knj s ASN 55 Ca 0.00 1.34 0.00 0.00 -2.14 0.00 0.00 52.86 52.06 2knj s ASN 55 Cb 0.00 1.34 0.00 0.00 1.28 0.00 0.00 41.25 43.87 2knj s ASN 55 CO 0.00 -0.23 0.00 0.59 -2.04 0.00 0.00 177.10 175.42 2knj n ASN 56 N 2.90 0.00 0.09 3.54 3.02 -1.26 -4.76 115.26 118.79 2knj n ASN 56 Ca -0.15 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.44 2knj n ASN 56 Cb 0.56 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.74 2knj n ASN 56 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 2knj h LEU 57 N 0.00 0.00 -1.84 3.41 -0.00 -1.83 -3.38 115.31 111.67 2knj h LEU 57 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 57.88 58.25 2knj h LEU 57 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.59 2knj h LEU 57 CO 0.00 0.37 0.90 1.05 -0.00 0.00 0.00 178.44 180.76 2knj h GLU 58 N 0.00 0.07 0.07 0.17 -0.00 -1.91 -2.81 114.58 110.17 2knj h GLU 58 Ca -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.28 2knj h GLU 58 Cb 1.35 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 30.08 2knj h GLU 58 CO 0.04 0.05 -0.05 1.96 -0.00 0.00 0.00 179.01 181.00 2knj h GLN 59 N 0.07 -0.12 0.07 1.06 4.20 -1.94 -1.87 115.11 116.58 2knj h GLN 59 Ca 0.64 0.01 -0.24 0.00 0.06 0.00 0.00 58.65 59.11 2knj h GLN 59 Cb 2.37 0.03 0.02 0.00 0.30 0.00 0.00 27.48 30.20 2knj h GLN 59 CO -0.09 -0.08 -1.00 0.00 -0.67 0.00 0.00 178.83 176.99 2knj h ALA 60 N -1.76 0.03 -0.62 3.87 0.00 -1.82 -2.40 119.26 116.56 2knj h ALA 60 Ca -0.01 -0.70 0.12 0.00 0.00 0.00 0.00 54.91 54.32 2knj h ALA 60 Cb 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2knj h ALA 60 CO 0.00 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.97 2knj h MET 61 N 0.14 0.27 0.00 0.00 -0.00 -1.62 0.24 114.93 113.95 2knj h MET 61 Ca -0.14 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.44 2knj h MET 61 Cb 1.69 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.22 2knj h MET 61 CO 0.19 0.18 -0.48 0.66 -0.00 0.00 0.00 176.91 177.46 2knj h SER 62 N 0.27 0.00 -0.56 -0.10 4.64 -1.28 0.19 113.55 116.72 2knj h SER 62 Ca 0.33 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 2knj h SER 62 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2knj h SER 62 CO -0.41 0.48 0.20 0.58 -0.87 0.00 0.00 176.83 176.81 2knj h VAL 63 N 0.00 1.23 0.05 0.95 2.07 -0.69 -3.38 116.25 116.48 2knj h VAL 63 Ca -0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2knj h VAL 63 Cb 0.86 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2knj h VAL 63 CO 0.06 0.28 -0.02 1.88 0.02 0.00 0.00 177.57 179.79 2knj h TYR 64 N 0.77 -0.06 -3.00 1.57 -1.99 0.08 -3.47 116.97 110.86 2knj h TYR 64 Ca 0.18 -0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.44 2knj h TYR 64 Cb 0.23 0.02 0.02 0.00 2.00 0.00 0.00 36.73 39.01 2knj h TYR 64 CO 0.01 -0.04 -0.08 -0.59 -0.00 0.00 0.00 178.16 177.46 2knj s PHE 65 N -1.63 3.43 0.78 4.88 -0.12 0.61 -5.05 117.98 120.88 2knj s PHE 65 Ca -0.01 0.44 -0.05 0.00 -0.05 0.00 0.00 56.93 57.26 2knj s PHE 65 Cb 0.00 -2.14 0.14 0.00 -0.63 0.00 0.00 43.02 40.39 2knj s PHE 65 CO 0.03 -0.14 1.07 0.95 -0.05 0.00 0.00 175.22 177.08 2knj s THR 66 N -2.51 2.13 0.09 -4.49 -4.23 -1.26 -4.42 115.64 100.95 2knj s THR 66 Ca 0.44 -0.41 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 2knj s THR 66 Cb -0.10 -2.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.93 2knj s THR 66 CO 0.39 0.00 1.42 -0.55 -0.54 0.00 0.00 174.62 175.34 2knj h ASN 67 N -0.80 0.68 0.60 3.99 7.08 -1.97 -2.01 115.58 123.14 2knj h ASN 67 Ca -0.39 -0.46 -0.06 0.00 -3.08 0.00 0.00 56.30 52.31 2knj h ASN 67 Cb 1.26 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 37.31 2knj h ASN 67 CO 0.42 0.99 -0.27 1.05 -2.08 0.00 0.00 177.43 177.55 2knj h GLU 68 N 0.37 0.00 -0.45 4.14 -0.00 -1.99 -1.26 114.58 115.40 2knj h GLU 68 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.42 2knj h GLU 68 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.51 2knj h GLU 68 CO 0.06 0.27 0.29 0.37 -0.00 0.00 0.00 179.01 180.00 2knj h GLN 69 N 0.00 0.57 0.00 1.06 -0.00 -1.81 -1.11 115.11 113.82 2knj h GLN 69 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2knj h GLN 69 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.99 2knj h GLN 69 CO 0.03 0.38 -0.04 1.51 0.00 0.00 0.00 178.83 180.71 2knj n ILE 70 N -4.79 0.36 -0.13 2.39 0.13 -0.81 -1.54 119.36 114.97 2knj n ILE 70 Ca 0.02 -0.18 -0.09 0.00 -1.10 0.00 0.00 62.75 61.40 2knj n ILE 70 Cb 0.04 -0.51 -0.01 0.00 -0.84 0.00 0.00 39.64 38.31 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 0.59 -0.51 9.51 1.79 -0.65 0.11 116.57 127.41 2knj h LYS 71 Ca 0.00 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2knj h LYS 71 Cb 0.65 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2knj h LYS 71 CO 0.00 0.57 0.30 0.93 -1.08 0.00 0.00 179.45 180.17 2knj h GLU 72 N 0.49 0.71 0.00 3.15 5.08 -0.29 -1.67 114.58 122.05 2knj h GLU 72 Ca 0.13 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2knj h GLU 72 Cb 0.21 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2knj h GLU 72 CO -0.01 0.53 0.00 0.82 -1.00 0.00 0.00 179.01 179.35 2knj h ILE 73 N 0.69 0.00 0.45 3.13 2.04 -1.25 -1.05 117.51 121.52 2knj h ILE 73 Ca 0.18 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2knj h ILE 73 Cb 0.02 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2knj h ILE 73 CO -0.03 0.00 -0.22 -0.74 0.00 0.00 0.00 178.15 177.16 2knj h HIS 74 N 0.00 -0.56 -0.19 1.37 2.76 0.14 0.44 115.15 119.11 2knj h HIS 74 Ca 0.00 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 2knj h HIS 74 Cb 0.67 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 2knj h HIS 74 CO 0.00 -0.24 -0.19 0.22 -1.30 0.00 0.00 177.93 176.43 2knj h ASP 75 N -0.91 0.32 -0.25 3.26 3.58 -1.37 -0.20 116.42 120.86 2knj h ASP 75 Ca -0.06 -0.08 -0.18 0.00 0.42 0.00 0.00 57.03 57.12 2knj h ASP 75 Cb 0.57 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2knj h ASP 75 CO 0.10 0.52 -0.53 0.00 -2.88 0.00 0.00 179.24 176.45 2knj h ALA 76 N 1.51 0.52 0.00 -0.78 0.00 -0.25 0.23 119.26 120.49 2knj h ALA 76 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2knj h ALA 76 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2knj h ALA 76 CO 0.03 0.68 -0.57 0.00 0.00 0.00 0.00 179.25 179.39 2knj n ALA 77 N -2.56 3.64 -0.11 0.00 0.00 0.15 -0.46 120.51 121.17 2knj n ALA 77 Ca -0.04 -0.37 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 2knj n ALA 77 Cb 0.62 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.54 1.51 1.02 0.00 -1.04 -0.11 -4.39 114.28 109.73 2knj n THR 78 Ca 0.05 -0.08 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 2knj n THR 78 Cb 0.34 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 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 -4.03 4.21 -2.66 2.41 0.00 0.80 -4.95 120.51 116.30 2knj n ALA 79 Ca -0.32 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 2knj n ALA 79 Cb 0.66 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.91 3.65 -0.89 0.00 1.01 -1.06 -4.89 116.67 111.58 2knj s ASP 81 Ca 0.16 -1.82 -0.25 0.00 0.71 0.00 0.00 52.55 51.34 2knj s ASP 81 Cb -0.07 -0.68 -0.12 0.00 1.01 0.00 0.00 42.92 43.06 2knj s ASP 81 CO 0.19 -0.38 2.21 -2.84 0.21 0.00 0.00 175.17 174.56 2knj s PRO 82 N 1.42 1.86 -0.24 8.23 0.02 -1.26 -1.67 135.00 143.36 2knj s PRO 82 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.17 2knj s PRO 82 Cb -0.19 -4.92 0.00 0.00 0.02 0.00 0.00 34.50 29.40 2knj s PRO 82 CO -0.19 -4.28 0.00 -1.91 -0.33 0.00 0.00 177.00 170.29 2knj n GLU 83 N 8.70 -0.72 0.09 5.54 0.00 -1.23 -4.87 120.64 128.15 2knj n GLU 83 Ca 0.44 0.36 -0.13 0.00 0.00 0.00 0.00 57.16 57.83 2knj n GLU 83 Cb 0.45 -4.01 -0.08 0.00 0.00 0.00 0.00 31.44 27.80 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2knj h ALA 84 N 0.00 0.29 -0.00 4.31 0.00 -1.90 -2.89 119.26 119.07 2knj h ALA 84 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2knj h ALA 84 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2knj h ALA 84 CO 0.07 0.91 -0.70 1.58 0.00 0.00 0.00 179.25 181.11 2knj n HIS 85 N -3.63 0.00 0.00 0.00 -0.00 -1.26 -4.97 115.22 105.35 2knj n HIS 85 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2knj n HIS 85 Cb 0.91 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 2knj n HIS 85 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2knj n HIS 86 N -1.16 0.00 -0.88 1.57 -0.00 -1.09 -4.83 115.22 108.83 2knj n HIS 86 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2knj n HIS 86 Cb 0.36 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2knj n HIS 86 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2knj n GLU 87 N -2.00 -2.50 -3.62 1.57 4.07 -1.26 -4.86 120.64 112.03 2knj n GLU 87 Ca 0.00 1.86 -0.01 0.00 -0.06 0.00 0.00 57.16 58.94 2knj n GLU 87 Cb 0.00 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.29 2knj n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2knj s HIS 88 N -2.55 -0.09 0.14 4.31 2.46 -1.26 -5.04 115.29 113.26 2knj s HIS 88 Ca 0.00 -0.02 -0.19 0.00 0.47 0.00 0.00 55.06 55.32 2knj s HIS 88 Cb 0.00 0.55 0.01 0.00 -0.13 0.00 0.00 32.58 33.01 2knj s HIS 88 CO 0.00 -0.34 1.70 0.38 -2.47 0.00 0.00 174.74 174.01 2knj h ASP 89 N 2.00 -0.20 -0.01 9.88 2.03 -2.03 -3.50 116.42 124.60 2knj h ASP 89 Ca -0.24 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2knj h ASP 89 Cb 1.20 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2knj h ASP 89 CO 0.27 -0.07 0.00 1.41 -1.03 0.00 0.00 179.24 179.82