#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 -0.76 1.57 -0.00 -1.26 -4.94 115.22 109.82 2knj n HIS 2 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2knj n HIS 2 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 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 0.00 1.49 -0.72 1.57 0.00 -1.26 -3.78 117.38 114.68 2knj n GLN 3 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 57.00 56.39 2knj n GLN 3 Cb 0.00 -1.45 0.08 0.00 0.00 0.00 0.00 30.24 28.87 2knj n GLN 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2knj n GLU 4 N 1.61 0.61 -1.55 2.61 2.13 -1.26 -4.61 120.64 120.18 2knj n GLU 4 Ca 0.20 -2.12 -0.33 0.00 0.66 0.00 0.00 57.16 55.57 2knj n GLU 4 Cb 0.64 -0.81 -0.05 0.00 0.27 0.00 0.00 31.44 31.49 2knj n GLU 4 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2knj n LEU 5 N -0.40 7.50 -2.27 4.31 4.77 -1.25 -4.52 117.00 125.13 2knj n LEU 5 Ca 0.09 -4.32 -0.04 0.00 -0.03 0.00 0.00 56.01 51.72 2knj n LEU 5 Cb 0.82 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2knj n LEU 5 CO -0.02 1.95 -0.05 0.00 -1.33 0.00 0.00 177.39 177.94 2knj n THR 7 N -0.20 0.03 1.77 0.00 -1.04 -1.26 -1.80 114.28 111.78 2knj n THR 7 Ca 0.05 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2knj n THR 7 Cb 0.21 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.05 0.93 -0.46 -2.82 0.00 -1.26 -4.98 118.16 108.52 2knj n LYS 8 Ca 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.56 2knj n LYS 8 Cb 0.12 -1.05 -0.02 0.00 -0.00 0.00 0.00 35.03 34.08 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2knj n GLY 9 N 0.39 -1.87 0.24 2.58 0.00 -0.75 -2.20 105.19 103.59 2knj n GLY 9 Ca 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.44 0.00 0.38 1.61 5.19 -1.94 -1.84 116.42 119.39 2knj h ASP 10 Ca -0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2knj h ASP 10 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2knj h ASP 10 CO 0.01 0.18 -0.18 -0.78 -3.12 0.00 0.00 179.24 175.35 2knj h ASP 11 N 0.00 -0.44 1.13 6.45 3.58 -1.98 0.27 116.42 125.43 2knj h ASP 11 Ca -0.00 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 2knj h ASP 11 Cb 0.47 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2knj h ASP 11 CO 0.02 -0.17 -0.30 0.00 -2.88 0.00 0.00 179.24 175.91 2knj h ALA 12 N -0.17 0.92 -0.12 -0.78 0.00 -1.39 -1.11 119.26 116.62 2knj h ALA 12 Ca -0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2knj h ALA 12 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2knj h ALA 12 CO 0.09 0.37 -0.25 1.25 0.00 0.00 0.00 179.25 180.71 2knj h LEU 13 N 0.00 0.20 -0.42 0.00 7.12 -1.14 0.12 115.31 121.19 2knj h LEU 13 Ca -0.00 -0.06 -0.18 0.00 0.13 0.00 0.00 57.88 57.77 2knj h LEU 13 Cb 0.95 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 2knj h LEU 13 CO 0.04 0.46 -0.78 0.58 -0.13 0.00 0.00 178.44 178.61 2knj h VAL 14 N 0.19 1.48 0.22 1.05 2.07 0.31 0.86 116.25 122.41 2knj h VAL 14 Ca 0.03 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 2knj h VAL 14 Cb 0.56 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2knj h VAL 14 CO 0.04 0.71 -0.10 0.74 0.02 0.00 0.00 177.57 178.98 2knj h THR 15 N 0.10 0.80 -0.29 2.57 2.02 -0.59 -1.68 112.91 115.84 2knj h THR 15 Ca -0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2knj h THR 15 Cb 1.37 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2knj h THR 15 CO 0.12 0.02 0.14 -0.33 0.37 0.00 0.00 175.52 175.83 2knj h GLU 16 N -0.33 0.39 -0.35 6.66 5.08 -0.68 -1.77 114.58 123.59 2knj h GLU 16 Ca -0.03 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2knj h GLU 16 Cb 0.25 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2knj h GLU 16 CO 0.05 0.31 -0.25 1.25 -1.00 0.00 0.00 179.01 179.37 2knj h LEU 17 N 0.40 -0.83 -1.29 1.33 6.46 0.14 0.84 115.31 122.36 2knj h LEU 17 Ca 0.10 0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 2knj h LEU 17 Cb 0.04 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2knj h LEU 17 CO -0.02 -0.27 -0.29 -0.33 -0.62 0.00 0.00 178.44 176.91 2knj h GLU 18 N -0.21 0.00 -0.01 1.25 4.39 -0.80 0.18 114.58 119.39 2knj h GLU 18 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2knj h GLU 18 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2knj h GLU 18 CO -0.47 0.29 -0.08 0.00 -1.16 0.00 0.00 179.01 177.59 2knj n ILE 20 N -0.48 1.47 1.08 0.00 5.41 0.27 -3.97 119.36 123.14 2knj n ILE 20 Ca 0.17 -0.80 0.14 0.00 1.00 0.00 0.00 62.75 63.27 2knj n ILE 20 Cb 0.29 -0.78 0.61 0.00 -0.71 0.00 0.00 39.64 39.05 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 -2.92 0.08 0.00 0.38 1.74 -0.05 -3.61 116.66 112.28 2knj n ARG 21 Ca -0.31 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2knj n ARG 21 Cb 1.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 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 -1.45 0.11 0.00 0.55 -0.00 -0.93 -4.75 117.00 110.53 2knj n LEU 22 Ca 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2knj n LEU 22 Cb 0.32 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2knj n LEU 22 CO 0.27 0.03 0.00 0.54 -0.00 0.00 0.00 177.39 178.23 2knj n ARG 23 N -0.33 0.00 0.00 1.47 1.74 -1.24 -4.84 116.66 113.46 2knj n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2knj n ARG 23 Cb 0.03 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2knj n ILE 24 N -1.88 0.00 0.05 0.55 5.41 -1.26 -4.71 119.36 117.52 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 5.25 -0.94 -3.03 4.38 2.88 -1.26 -4.89 113.62 116.01 2knj n SER 25 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2knj n SER 25 Cb 0.00 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.65 0.78 0.00 -1.46 -0.02 -1.26 -4.74 135.00 125.65 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 0.21 0.00 -0.02 0.00 0.00 33.50 33.69 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 -0.59 0.23 -0.18 -0.52 -0.58 -1.26 -4.13 120.64 113.61 2knj n GLU 27 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2knj n GLU 27 Cb 0.00 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.45 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 -0.21 0.17 2.62 5.66 -1.26 0.15 114.28 120.42 2knj n THR 28 Ca 0.05 1.11 -0.11 0.00 -3.05 0.00 0.00 64.05 62.05 2knj n THR 28 Cb 0.02 -1.53 -0.06 0.00 -1.55 0.00 0.00 70.33 67.21 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 -0.41 0.19 1.09 -0.26 -1.85 -0.79 115.58 113.56 2knj h ASN 29 Ca 0.23 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2knj h ASN 29 Cb 0.35 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 2knj h ASN 29 CO -0.50 0.04 -0.22 0.00 -1.06 0.00 0.00 177.43 175.69 2knj h ALA 30 N -0.74 -0.43 0.45 -0.83 0.00 -1.60 -0.35 119.26 115.77 2knj h ALA 30 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2knj h ALA 30 Cb 0.51 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2knj h ALA 30 CO 0.08 -0.77 -0.22 0.00 0.00 0.00 0.00 179.25 178.34 2knj h ALA 31 N 0.28 -1.12 0.00 0.00 0.00 -0.36 -2.48 119.26 115.58 2knj h ALA 31 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2knj h ALA 31 Cb 0.44 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2knj h ALA 31 CO -0.07 -1.07 -0.04 0.74 0.00 0.00 0.00 179.25 178.80 2knj h PHE 32 N -0.63 0.00 0.02 0.00 0.04 -1.23 -0.36 116.94 114.78 2knj h PHE 32 Ca -0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 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 0.12 0.04 -0.01 0.22 -0.60 0.00 0.00 178.31 178.08 2knj h ASP 33 N 0.00 -0.02 1.38 2.17 3.58 -0.80 0.82 116.42 123.55 2knj h ASP 33 Ca -0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2knj h ASP 33 Cb 0.08 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2knj h ASP 33 CO 0.01 0.15 0.00 -0.55 -2.88 0.00 0.00 179.24 175.97 2knj h ASN 34 N -0.19 0.00 0.28 2.28 -0.00 -1.30 0.00 115.58 116.65 2knj h ASN 34 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2knj h ASN 34 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2knj h ASN 34 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 177.43 177.30 2knj h ALA 35 N 2.35 -0.42 0.00 4.14 0.00 0.38 -2.11 119.26 123.60 2knj h ALA 35 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knj h ALA 35 Cb 0.69 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2knj h ALA 35 CO 0.00 -0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.19 2knj n VAL 36 N -4.64 0.42 0.00 0.00 0.24 0.27 -0.55 118.33 114.07 2knj n VAL 36 Ca -0.05 0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 2knj n VAL 36 Cb 0.15 -0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 31.66 2knj n VAL 36 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2knj h GLN 37 N 0.00 0.05 0.02 7.34 4.15 -0.98 0.51 115.11 126.20 2knj h GLN 37 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2knj h GLN 37 Cb 0.20 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2knj h GLN 37 CO 0.00 0.26 -0.40 1.96 -1.93 0.00 0.00 178.83 178.72 2knj h GLN 38 N -0.17 -0.50 0.00 1.69 4.20 -0.10 -2.13 115.11 118.09 2knj h GLN 38 Ca 0.01 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2knj h GLN 38 Cb 0.24 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2knj h GLN 38 CO 0.00 -0.33 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.55 2knj h LEU 39 N -0.52 0.00 0.92 1.46 3.38 -1.56 -3.46 115.31 115.54 2knj h LEU 39 Ca 0.01 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2knj h LEU 39 Cb 0.55 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.33 2knj h LEU 39 CO -0.26 0.20 -0.60 -3.20 0.09 0.00 0.00 178.44 174.68 2knj n ASN 40 N -3.81 -5.73 0.22 -0.43 5.15 0.18 -4.85 115.26 105.99 2knj n ASN 40 Ca -0.02 -0.30 0.15 0.00 -0.60 0.00 0.00 54.58 53.81 2knj n ASN 40 Cb 0.30 -4.64 0.55 0.00 -0.53 0.00 0.00 39.78 35.46 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 -2.84 0.00 -4.68 0.00 7.94 -1.24 -4.83 117.00 111.34 2knj n LEU 42 Ca 0.02 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 2knj n LEU 42 Cb 0.33 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 2knj n LEU 42 CO 0.27 0.00 1.06 0.21 -1.11 0.00 0.00 177.39 177.82 2knj s ASN 43 N 0.00 6.93 0.25 1.96 2.47 -1.26 -4.91 114.94 120.39 2knj s ASN 43 Ca 0.00 1.94 0.25 0.00 0.42 0.00 0.00 52.86 55.47 2knj s ASN 43 Cb 0.00 -2.55 0.91 0.00 -1.45 0.00 0.00 41.25 38.16 2knj s ASN 43 CO 0.00 -0.68 1.75 0.03 -3.72 0.00 0.00 177.10 174.47 2knj h ARG 44 N 7.84 0.00 -0.03 0.43 -0.00 -1.96 -2.52 114.38 118.14 2knj h ARG 44 Ca -0.35 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 58.97 2knj h ARG 44 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.12 2knj h ARG 44 CO 0.91 0.00 -0.71 0.00 0.00 0.00 0.00 179.97 180.17 2knj h ALA 45 N 2.36 0.76 -0.57 0.04 0.00 -1.94 -0.14 119.26 119.77 2knj h ALA 45 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2knj h ALA 45 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2knj h ALA 45 CO 0.00 0.82 0.37 0.00 0.00 0.00 0.00 179.25 180.44 2knj h ALA 47 N 1.22 -1.14 -0.70 0.00 0.00 -1.51 -0.56 119.26 116.57 2knj h ALA 47 Ca 0.21 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2knj h ALA 47 Cb -0.07 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2knj h ALA 47 CO -0.06 -1.11 0.36 1.88 0.00 0.00 0.00 179.25 180.32 2knj h TYR 48 N -0.77 0.66 0.00 0.00 0.05 -0.93 -1.68 116.97 114.30 2knj h TYR 48 Ca -0.07 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 2knj h TYR 48 Cb 0.62 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2knj h TYR 48 CO -0.02 0.27 -0.27 -0.09 -1.05 0.00 0.00 178.16 176.99 2knj h ARG 49 N 0.64 0.00 0.01 4.88 2.43 -0.52 -1.26 114.38 120.56 2knj h ARG 49 Ca 0.33 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.29 2knj h ARG 49 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2knj h ARG 49 CO -0.24 0.27 -1.02 -0.22 -1.51 0.00 0.00 179.97 177.25 2knj h LYS 50 N 0.00 0.01 -0.55 0.20 1.63 -0.23 0.18 116.57 117.81 2knj h LYS 50 Ca -0.00 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 2knj h LYS 50 Cb 0.92 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 2knj h LYS 50 CO 0.04 1.00 0.13 1.98 -3.45 0.00 0.00 179.45 179.15 2knj h MET 51 N 0.00 0.88 -0.31 1.90 4.05 -1.14 0.63 114.93 120.95 2knj h MET 51 Ca -0.02 -0.21 0.06 0.00 -0.28 0.00 0.00 59.70 59.24 2knj h MET 51 Cb 1.78 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 32.45 2knj h MET 51 CO 0.13 0.83 0.21 0.00 0.23 0.00 0.00 176.91 178.32 2knj h ALA 53 N 1.84 0.00 0.00 0.00 0.00 0.01 -3.39 119.26 117.72 2knj h ALA 53 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2knj h ALA 53 Cb 0.33 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2knj h ALA 53 CO -0.02 0.02 -0.19 -2.37 0.00 0.00 0.00 179.25 176.69 2knj n THR 54 N -4.20 0.00 -0.70 0.00 5.66 0.19 -4.86 114.28 110.37 2knj n THR 54 Ca -0.00 -0.62 0.09 0.00 -3.05 0.00 0.00 64.05 60.47 2knj n THR 54 Cb 0.01 0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 69.54 2knj n THR 54 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2knj n ASN 55 N -0.96 -3.99 0.00 1.09 4.13 0.56 -4.87 115.26 111.22 2knj n ASN 55 Ca -0.13 0.63 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2knj n ASN 55 Cb 0.74 -2.36 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2knj n ASN 56 N -3.25 0.00 0.19 6.41 5.15 -1.26 -4.13 115.26 118.37 2knj n ASN 56 Ca -0.04 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.02 2knj n ASN 56 Cb 0.33 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 39.80 2knj n ASN 56 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 2knj h LEU 57 N 0.00 0.00 -1.35 1.20 -0.00 -1.86 -3.30 115.31 110.00 2knj h LEU 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2knj h LEU 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2knj h LEU 57 CO 0.00 0.29 0.02 -1.84 -0.00 0.00 0.00 178.44 176.91 2knj n GLU 58 N -3.24 0.13 0.03 0.17 -0.00 -1.26 -3.16 120.64 113.30 2knj n GLU 58 Ca 0.02 0.63 -0.01 0.00 -0.00 0.00 0.00 57.16 57.79 2knj n GLU 58 Cb 0.58 -1.95 -0.01 0.00 -0.00 0.00 0.00 31.44 30.06 2knj n GLU 58 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2knj h GLN 59 N 0.00 -0.07 0.01 3.44 4.20 -1.94 -1.44 115.11 119.31 2knj h GLN 59 Ca 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2knj h GLN 59 Cb 0.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2knj h GLN 59 CO 0.00 -0.05 -0.00 0.00 -0.67 0.00 0.00 178.83 178.11 2knj h ALA 60 N -1.81 -0.01 -0.80 3.87 0.00 -1.85 -2.30 119.26 116.35 2knj h ALA 60 Ca -0.01 -0.38 0.19 0.00 0.00 0.00 0.00 54.91 54.72 2knj h ALA 60 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 2knj h ALA 60 CO 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.18 2knj h MET 61 N -0.79 0.11 0.00 0.00 -0.00 -1.57 0.63 114.93 113.31 2knj h MET 61 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2knj h MET 61 Cb 0.76 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.33 2knj h MET 61 CO 0.00 0.07 -0.22 1.03 -0.00 0.00 0.00 176.91 177.80 2knj h SER 62 N 0.12 0.00 -0.64 -0.10 0.87 -1.23 0.18 113.55 112.75 2knj h SER 62 Ca 0.45 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.95 2knj h SER 62 Cb 0.83 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2knj h SER 62 CO -0.69 0.22 0.14 0.58 -0.53 0.00 0.00 176.83 176.55 2knj h VAL 63 N 0.00 1.26 0.12 2.23 2.07 -0.36 -3.36 116.25 118.20 2knj h VAL 63 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2knj h VAL 63 Cb 0.86 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2knj h VAL 63 CO 0.03 0.36 -0.06 1.88 0.02 0.00 0.00 177.57 179.80 2knj h TYR 64 N 0.95 -0.14 -3.19 1.57 -1.99 -0.33 -3.47 116.97 110.37 2knj h TYR 64 Ca 0.20 -0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.46 2knj h TYR 64 Cb 0.38 0.05 0.04 0.00 2.00 0.00 0.00 36.73 39.20 2knj h TYR 64 CO 0.03 -0.09 0.05 -0.59 -0.00 0.00 0.00 178.16 177.56 2knj s PHE 65 N -2.04 3.19 0.56 4.88 -0.12 0.56 -5.07 117.98 119.95 2knj s PHE 65 Ca -0.02 0.41 0.03 0.00 -0.05 0.00 0.00 56.93 57.30 2knj s PHE 65 Cb 0.00 -2.58 0.05 0.00 -0.63 0.00 0.00 43.02 39.86 2knj s PHE 65 CO 0.07 -0.66 0.78 0.95 -0.05 0.00 0.00 175.22 176.31 2knj s THR 66 N -2.80 2.56 0.21 -4.49 -4.23 -1.26 -4.54 115.64 101.08 2knj s THR 66 Ca 0.52 -0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 60.18 2knj s THR 66 Cb -0.10 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 71.08 2knj s THR 66 CO 0.42 0.00 1.85 -0.55 -0.54 0.00 0.00 174.62 175.80 2knj h ASN 67 N 0.07 0.75 -0.80 3.99 -1.07 -1.98 -0.64 115.58 115.89 2knj h ASN 67 Ca -0.39 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.93 2knj h ASN 67 Cb 1.29 -0.16 -0.04 0.00 -2.07 0.00 0.00 38.32 37.34 2knj h ASN 67 CO 0.47 0.51 0.33 1.05 0.07 0.00 0.00 177.43 179.87 2knj h GLU 68 N 0.89 1.20 -0.76 4.14 4.11 -1.99 0.01 114.58 122.18 2knj h GLU 68 Ca 0.29 -0.21 0.02 0.00 0.07 0.00 0.00 59.36 59.53 2knj h GLU 68 Cb 0.02 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2knj h GLU 68 CO -0.11 0.96 0.49 0.37 0.07 0.00 0.00 179.01 180.79 2knj h GLN 69 N 1.17 0.95 0.00 1.06 -0.00 -1.69 -1.83 115.11 114.78 2knj h GLN 69 Ca 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 2knj h GLN 69 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.47 2knj h GLN 69 CO -0.02 0.63 -0.24 1.51 0.00 0.00 0.00 178.83 180.71 2knj n ILE 70 N -4.59 0.03 -0.03 2.39 0.13 -0.34 -1.83 119.36 115.13 2knj n ILE 70 Ca 0.08 -0.02 -0.11 0.00 -1.10 0.00 0.00 62.75 61.60 2knj n ILE 70 Cb 0.05 -0.17 -0.06 0.00 -0.84 0.00 0.00 39.64 38.63 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 0.19 0.41 9.51 1.79 -0.20 0.13 116.57 128.39 2knj h LYS 71 Ca 0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2knj h LYS 71 Cb 0.52 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 2knj h LYS 71 CO 0.00 0.27 -0.42 0.93 -1.08 0.00 0.00 179.45 179.15 2knj h GLU 72 N 0.06 -0.81 0.00 3.15 5.08 -0.94 -1.83 114.58 119.29 2knj h GLU 72 Ca 0.04 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2knj h GLU 72 Cb 0.15 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2knj h GLU 72 CO -0.00 -0.54 0.00 0.82 -1.00 0.00 0.00 179.01 178.28 2knj h ILE 73 N -0.84 0.00 0.71 3.13 2.04 -1.38 0.50 117.51 121.66 2knj h ILE 73 Ca -0.04 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2knj h ILE 73 Cb 0.75 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2knj h ILE 73 CO -0.07 0.00 -0.34 -0.74 0.00 0.00 0.00 178.15 177.00 2knj h HIS 74 N 0.00 -0.88 0.00 1.37 2.76 0.08 0.12 115.15 118.60 2knj h HIS 74 Ca 0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2knj h HIS 74 Cb 0.28 0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 2knj h HIS 74 CO 0.00 -0.55 -0.14 -0.44 -1.30 0.00 0.00 177.93 175.50 2knj h ASP 75 N -1.11 0.00 0.21 3.26 5.19 -1.09 -1.38 116.42 121.50 2knj h ASP 75 Ca -0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2knj h ASP 75 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2knj h ASP 75 CO 0.16 0.14 -0.10 0.00 -3.12 0.00 0.00 179.24 176.32 2knj h ALA 76 N 1.86 -0.28 0.00 3.45 0.00 0.10 0.80 119.26 125.19 2knj h ALA 76 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2knj h ALA 76 Cb 0.83 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2knj h ALA 76 CO 0.02 -0.58 -0.68 0.00 0.00 0.00 0.00 179.25 178.01 2knj h ALA 77 N 0.34 0.68 0.09 0.00 0.00 -0.57 0.47 119.26 120.27 2knj h ALA 77 Ca -0.03 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2knj h ALA 77 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2knj h ALA 77 CO 0.05 0.09 -1.80 2.41 0.00 0.00 0.00 179.25 179.99 2knj n THR 78 N -2.86 1.72 1.14 0.00 -1.04 -0.54 -3.90 114.28 108.81 2knj n THR 78 Ca 0.01 -0.49 0.12 0.00 -2.04 0.00 0.00 64.05 61.65 2knj n THR 78 Cb 0.57 -1.82 0.20 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.11 3.18 -3.67 2.41 0.00 0.27 -4.75 120.51 114.84 2knj n ALA 79 Ca -0.32 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 2knj n ALA 79 Cb 0.95 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.04 -1.07 -0.73 0.00 2.03 0.19 -4.98 116.55 108.94 2knj n ASP 81 Ca -0.23 -2.61 0.13 0.00 0.52 0.00 0.00 54.79 52.60 2knj n ASP 81 Cb 0.65 0.03 0.28 0.00 -0.72 0.00 0.00 41.12 41.36 2knj n ASP 81 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2knj n PRO 82 N 2.46 1.99 0.00 -0.67 -0.05 -1.26 -3.00 135.00 134.47 2knj n PRO 82 Ca 0.24 -1.47 0.00 0.00 -0.05 0.00 0.00 63.50 62.22 2knj n PRO 82 Cb 0.52 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.50 2knj n PRO 82 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2knj n GLU 83 N 0.78 0.68 0.01 0.54 1.02 -1.26 -4.60 120.64 117.81 2knj n GLU 83 Ca 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2knj n GLU 83 Cb 0.49 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 30.97 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2knj h ALA 84 N 0.00 0.04 -3.87 0.62 0.00 -1.98 -3.44 119.26 110.63 2knj h ALA 84 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 2knj h ALA 84 Cb 0.73 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.24 2knj h ALA 84 CO 0.00 -0.38 -0.77 -1.01 0.00 0.00 0.00 179.25 177.10 2knj s HIS 85 N -5.55 0.69 0.16 0.00 3.76 -1.26 -5.00 115.29 108.09 2knj s HIS 85 Ca -0.14 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2knj s HIS 85 Cb 0.05 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.27 2knj s HIS 85 CO 0.67 -0.02 1.36 0.45 -0.85 0.00 0.00 174.74 176.35 2knj h HIS 86 N 5.74 0.26 -2.82 1.40 3.86 -1.89 -3.44 115.15 118.26 2knj h HIS 86 Ca -0.31 -0.15 -0.20 0.00 -1.16 0.00 0.00 60.37 58.55 2knj h HIS 86 Cb 1.19 -0.03 -0.32 0.00 1.06 0.00 0.00 27.41 29.31 2knj h HIS 86 CO 0.44 0.99 -0.51 -1.21 0.86 0.00 0.00 177.93 178.50 2knj s GLU 87 N -3.12 0.17 -0.06 2.45 2.02 -1.26 -2.35 118.70 116.55 2knj s GLU 87 Ca -0.02 0.79 -0.23 0.00 0.02 0.00 0.00 54.97 55.52 2knj s GLU 87 Cb 0.10 0.01 -0.29 0.00 0.10 0.00 0.00 34.13 34.05 2knj s GLU 87 CO 0.83 -0.28 0.90 1.25 0.02 0.00 0.00 175.26 177.98 2knj h HIS 88 N 8.27 0.45 0.00 1.61 -0.00 -1.92 -3.47 115.15 120.09 2knj h HIS 88 Ca -0.14 -0.31 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2knj h HIS 88 Cb 1.11 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 2knj h HIS 88 CO 0.36 1.23 0.00 -3.47 -0.00 0.00 0.00 177.93 176.04 2knj n ASP 89 N -4.23 0.00 -0.01 3.26 2.03 -1.26 -5.18 116.55 111.16 2knj n ASP 89 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2knj n ASP 89 Cb 0.74 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 2knj n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28