#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 -2.27 0.00 1.57 8.25 -1.26 -4.59 115.22 116.92 2knj n HIS 2 Ca 0.00 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2knj n HIS 2 Cb 0.00 -4.25 0.00 0.00 1.12 0.00 0.00 29.99 26.86 2knj n HIS 2 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2knj n GLN 3 N -3.66 0.00 -3.56 -0.41 -0.06 -1.26 -5.12 117.38 103.31 2knj n GLN 3 Ca -0.14 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.77 2knj n GLN 3 Cb 0.63 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.77 2knj n GLN 3 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2knj s GLU 4 N 0.00 0.61 -0.66 3.69 -1.05 -1.26 -5.02 118.70 115.01 2knj s GLU 4 Ca 0.00 0.01 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 2knj s GLU 4 Cb 0.00 0.29 0.17 0.00 -0.44 0.00 0.00 34.13 34.15 2knj s GLU 4 CO 0.00 -0.22 0.47 -0.48 0.95 0.00 0.00 175.26 175.98 2knj s LEU 5 N -1.55 4.41 -0.69 1.83 2.34 -1.26 -1.25 118.68 122.51 2knj s LEU 5 Ca 0.01 -3.74 -0.03 0.00 0.06 0.00 0.00 54.13 50.43 2knj s LEU 5 Cb -0.01 -1.50 0.00 0.00 -0.56 0.00 0.00 46.19 44.13 2knj s LEU 5 CO -0.02 -0.10 0.59 0.00 -1.06 0.00 0.00 176.35 175.77 2knj h THR 7 N -1.29 0.00 0.00 0.00 1.03 -1.94 -2.69 112.91 108.01 2knj h THR 7 Ca -0.30 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 2knj h THR 7 Cb 1.19 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 2knj h THR 7 CO 0.28 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.08 2knj n LYS 8 N -2.86 0.71 0.00 0.00 4.76 -1.26 -4.95 118.16 114.56 2knj n LYS 8 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2knj n LYS 8 Cb 0.45 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2knj n GLY 9 N 0.19 0.97 0.01 0.72 0.00 -1.02 -2.09 105.19 103.97 2knj n GLY 9 Ca 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.35 2knj n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2knj n ASP 10 N -3.00 0.04 0.32 1.61 5.75 -1.26 -2.01 116.55 118.00 2knj n ASP 10 Ca 0.00 0.51 -0.17 0.00 -0.01 0.00 0.00 54.79 55.12 2knj n ASP 10 Cb 0.00 -0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 39.49 2knj n ASP 10 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2knj h ASP 11 N 0.00 -0.68 -0.72 -1.12 5.19 -1.96 0.37 116.42 117.51 2knj h ASP 11 Ca 0.00 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 2knj h ASP 11 Cb 0.35 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2knj h ASP 11 CO 0.00 -0.42 0.29 0.00 -3.12 0.00 0.00 179.24 175.99 2knj h ALA 12 N -0.54 1.14 -0.79 3.45 0.00 -1.26 -2.16 119.26 119.10 2knj h ALA 12 Ca -0.08 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 12 Cb 0.65 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2knj h ALA 12 CO 0.13 0.62 0.45 1.25 0.00 0.00 0.00 179.25 181.70 2knj h LEU 13 N 1.06 0.64 -0.67 0.00 6.46 -1.15 -0.24 115.31 121.41 2knj h LEU 13 Ca 0.25 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.94 2knj h LEU 13 Cb 0.20 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 2knj h LEU 13 CO -0.02 0.38 -0.19 0.58 -0.62 0.00 0.00 178.44 178.57 2knj h VAL 14 N 0.77 1.27 0.13 1.05 2.07 0.07 -0.76 116.25 120.85 2knj h VAL 14 Ca 0.38 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.61 2knj h VAL 14 Cb 0.32 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2knj h VAL 14 CO -0.23 0.44 -0.29 0.74 0.02 0.00 0.00 177.57 178.25 2knj h THR 15 N 0.73 0.38 0.10 2.57 2.02 -0.54 -0.15 112.91 118.01 2knj h THR 15 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2knj h THR 15 Cb 0.71 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2knj h THR 15 CO 0.05 0.00 -0.36 -0.33 0.37 0.00 0.00 175.52 175.25 2knj h GLU 16 N -0.51 -0.56 -0.53 6.66 3.07 -1.00 -2.28 114.58 119.42 2knj h GLU 16 Ca 0.03 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.96 2knj h GLU 16 Cb 0.53 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2knj h GLU 16 CO -0.16 -0.37 0.35 1.37 -1.40 0.00 0.00 179.01 178.80 2knj h LEU 17 N -0.58 0.52 -0.79 1.33 8.10 -0.88 0.14 115.31 123.15 2knj h LEU 17 Ca 0.03 -0.01 -0.08 0.00 0.11 0.00 0.00 57.88 57.93 2knj h LEU 17 Cb 0.62 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 2knj h LEU 17 CO -0.22 0.35 0.01 -0.08 -4.11 0.00 0.00 178.44 174.39 2knj h GLU 18 N 0.60 0.93 -0.01 0.17 4.81 -0.77 0.16 114.58 120.47 2knj h GLU 18 Ca 0.22 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2knj h GLU 18 Cb 0.12 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2knj h GLU 18 CO -0.06 0.91 -0.06 0.00 -0.73 0.00 0.00 179.01 179.07 2knj n ILE 20 N -0.65 0.99 0.38 0.00 5.41 0.29 -4.27 119.36 121.50 2knj n ILE 20 Ca 0.18 -0.71 0.12 0.00 1.00 0.00 0.00 62.75 63.34 2knj n ILE 20 Cb 0.26 -0.48 0.24 0.00 -0.71 0.00 0.00 39.64 38.95 2knj n ILE 20 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2knj h ARG 21 N 0.00 0.00 -1.03 0.38 2.47 -0.57 -3.32 114.38 112.31 2knj h ARG 21 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 2knj h ARG 21 Cb 1.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 2knj h ARG 21 CO 0.03 0.00 0.00 1.47 0.56 0.00 0.00 179.97 182.03 2knj n LEU 22 N -2.70 1.64 0.00 3.04 -0.00 -1.24 -4.75 117.00 112.99 2knj n LEU 22 Ca 0.04 -0.82 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2knj n LEU 22 Cb 0.49 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2knj n LEU 22 CO 0.33 0.30 0.00 0.54 -0.00 0.00 0.00 177.39 178.56 2knj n ARG 23 N 0.40 0.00 0.00 1.47 5.12 -1.25 -4.82 116.66 117.58 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 0.30 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 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 0.00 0.00 0.02 0.55 5.41 -1.26 -4.63 119.36 119.46 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 7.76 -0.44 -0.85 4.38 2.88 -1.26 -4.71 113.62 121.37 2knj n SER 25 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2knj n SER 25 Cb 0.00 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2knj n SER 25 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2knj n PRO 26 N -2.59 2.53 0.00 -1.46 -0.05 -1.26 -4.90 135.00 127.27 2knj n PRO 26 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.47 2knj n PRO 26 Cb 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 33.50 33.57 2knj n PRO 26 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2knj n GLU 27 N 0.00 0.10 -0.25 0.54 -0.58 -1.26 -4.03 120.64 115.16 2knj n GLU 27 Ca 0.00 0.11 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 2knj n GLU 27 Cb 0.00 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.13 -0.33 0.19 2.62 5.66 -1.26 -0.60 114.28 119.43 2knj n THR 28 Ca 0.03 1.57 -0.14 0.00 -3.05 0.00 0.00 64.05 62.45 2knj n THR 28 Cb 0.02 -2.11 -0.08 0.00 -1.55 0.00 0.00 70.33 66.61 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 -0.40 0.22 1.09 -0.26 -1.86 -0.92 115.58 113.45 2knj h ASN 29 Ca 0.27 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2knj h ASN 29 Cb 0.44 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2knj h ASN 29 CO -0.68 -0.13 -0.10 0.00 -1.06 0.00 0.00 177.43 175.46 2knj h ALA 30 N -0.12 -0.29 0.09 -0.83 0.00 -1.60 -0.65 119.26 115.86 2knj h ALA 30 Ca -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2knj h ALA 30 Cb 0.48 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2knj h ALA 30 CO 0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 179.25 178.79 2knj h ALA 31 N 0.04 -0.12 0.00 0.00 0.00 -0.90 -1.71 119.26 116.58 2knj h ALA 31 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2knj h ALA 31 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2knj h ALA 31 CO 0.05 -0.41 0.00 0.74 0.00 0.00 0.00 179.25 179.63 2knj h PHE 32 N -0.44 0.00 -0.15 0.00 0.04 -1.28 0.31 116.94 115.42 2knj h PHE 32 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2knj h PHE 32 Cb 0.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 2knj h PHE 32 CO 0.03 0.00 -0.08 0.22 -0.60 0.00 0.00 178.31 177.88 2knj h ASP 33 N 0.00 0.33 1.36 2.17 3.58 -0.22 0.82 116.42 124.46 2knj h ASP 33 Ca 0.00 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 2knj h ASP 33 Cb 0.39 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2knj h ASP 33 CO 0.00 0.68 -0.63 -0.55 -2.88 0.00 0.00 179.24 175.85 2knj h ASN 34 N -0.02 0.00 0.72 2.28 -1.07 -1.34 -0.72 115.58 115.44 2knj h ASN 34 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.37 2knj h ASN 34 Cb 0.56 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.81 2knj h ASN 34 CO 0.02 0.63 -0.35 0.00 0.07 0.00 0.00 177.43 177.81 2knj h ALA 35 N 1.37 -0.97 0.00 4.14 0.00 -0.23 -1.73 119.26 121.84 2knj h ALA 35 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2knj h ALA 35 Cb 1.48 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2knj h ALA 35 CO 0.08 -0.91 0.00 0.28 0.00 0.00 0.00 179.25 178.70 2knj h VAL 36 N -1.23 0.00 -0.73 0.00 2.07 0.55 0.18 116.25 117.09 2knj h VAL 36 Ca -0.10 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2knj h VAL 36 Cb 0.75 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2knj h VAL 36 CO 0.16 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.59 2knj h GLN 37 N 0.00 0.98 0.76 1.57 4.15 -0.96 0.81 115.11 122.42 2knj h GLN 37 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2knj h GLN 37 Cb 0.34 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.83 2knj h GLN 37 CO 0.00 0.68 -0.36 1.96 -1.93 0.00 0.00 178.83 179.18 2knj h GLN 38 N 0.99 -0.98 -0.05 1.69 4.20 0.28 -2.89 115.11 118.36 2knj h GLN 38 Ca 0.26 0.07 0.01 0.00 0.06 0.00 0.00 58.65 59.05 2knj h GLN 38 Cb -0.05 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2knj h GLN 38 CO -0.05 -0.65 0.05 1.37 -0.67 0.00 0.00 178.83 178.87 2knj h LEU 39 N -1.07 0.00 0.27 1.46 -0.00 -1.45 -3.45 115.31 111.07 2knj h LEU 39 Ca -0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.45 2knj h LEU 39 Cb 0.78 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.51 2knj h LEU 39 CO 0.17 0.00 -0.50 -3.20 -0.00 0.00 0.00 178.44 174.91 2knj n ASN 40 N -3.91 -5.29 -4.97 0.17 4.05 0.28 -5.00 115.26 100.59 2knj n ASN 40 Ca -0.02 -0.28 -0.21 0.00 0.45 0.00 0.00 54.58 54.52 2knj n ASN 40 Cb 0.14 -4.07 0.02 0.00 1.23 0.00 0.00 39.78 37.11 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2knj n LEU 42 N -2.16 1.87 -4.82 0.00 7.99 -1.26 -4.76 117.00 113.87 2knj n LEU 42 Ca 0.05 0.42 -0.36 0.00 -0.01 0.00 0.00 56.01 56.10 2knj n LEU 42 Cb 0.59 -0.96 -0.06 0.00 -0.11 0.00 0.00 43.42 42.87 2knj n LEU 42 CO 0.45 0.29 0.39 0.54 -1.51 0.00 0.00 177.39 177.56 2knj s ASN 43 N -6.88 7.05 0.00 -1.43 6.03 -1.26 -4.93 114.94 113.52 2knj s ASN 43 Ca -0.29 1.39 0.24 0.00 -1.03 0.00 0.00 52.86 53.16 2knj s ASN 43 Cb 0.06 -2.41 1.15 0.00 -3.03 0.00 0.00 41.25 37.03 2knj s ASN 43 CO 0.59 0.06 1.78 0.54 -2.03 0.00 0.00 177.10 178.04 2knj n ARG 44 N 0.83 0.27 0.25 3.55 3.00 -1.26 -2.16 116.66 121.13 2knj n ARG 44 Ca -0.03 0.07 0.08 0.00 -0.01 0.00 0.00 57.85 57.96 2knj n ARG 44 Cb 0.51 -1.50 0.63 0.00 0.00 0.00 0.00 32.46 32.10 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 3.05 1.68 -0.73 7.54 0.00 -1.90 -1.53 119.26 127.38 2knj h ALA 45 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2knj h ALA 45 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2knj h ALA 45 CO 0.00 0.13 0.32 0.00 0.00 0.00 0.00 179.25 179.70 2knj h ALA 47 N 1.15 0.25 0.00 0.00 0.00 -1.48 -0.13 119.26 119.06 2knj h ALA 47 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2knj h ALA 47 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2knj h ALA 47 CO -0.02 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 179.62 2knj n TYR 48 N -4.95 0.00 -0.06 0.00 4.01 -0.81 -1.60 117.16 113.76 2knj n TYR 48 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 2knj n TYR 48 Cb 0.03 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 2knj n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2knj h ARG 49 N 0.00 0.58 0.20 -0.72 2.47 0.20 0.12 114.38 117.24 2knj h ARG 49 Ca 0.00 -0.36 0.01 0.00 -1.26 0.00 0.00 59.98 58.37 2knj h ARG 49 Cb 0.18 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 2knj h ARG 49 CO 0.00 0.97 -0.39 -0.22 0.56 0.00 0.00 179.97 180.90 2knj h LYS 50 N 0.26 -0.65 -1.18 0.04 3.11 -0.95 0.80 116.57 117.99 2knj h LYS 50 Ca 0.01 0.04 0.34 0.00 -2.81 0.00 0.00 60.65 58.23 2knj h LYS 50 Cb 0.94 0.15 -0.06 0.00 -1.00 0.00 0.00 32.23 32.25 2knj h LYS 50 CO 0.08 -0.43 0.83 0.52 -2.81 0.00 0.00 179.45 177.63 2knj h MET 51 N -0.67 0.09 0.00 1.90 2.86 -1.37 0.62 114.93 118.36 2knj h MET 51 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2knj h MET 51 Cb 0.67 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2knj h MET 51 CO -0.17 0.06 -1.02 0.00 1.06 0.00 0.00 176.91 176.83 2knj n ALA 53 N -1.66 2.40 -1.00 0.00 0.00 0.27 -3.83 120.51 116.70 2knj n ALA 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2knj n ALA 53 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.61 0.00 -3.78 0.00 5.66 0.29 -4.66 114.28 110.19 2knj n THR 54 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2knj n THR 54 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 2knj n THR 54 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2knj s ASN 55 N 1.46 -0.28 0.00 1.09 -0.87 -1.26 -4.77 114.94 110.32 2knj s ASN 55 Ca 0.00 0.53 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 2knj s ASN 55 Cb 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.77 2knj s ASN 55 CO 0.00 -0.09 0.00 -3.20 -2.57 0.00 0.00 177.10 171.24 2knj n ASN 56 N 2.99 0.00 0.24 -1.22 5.15 -1.26 -4.77 115.26 116.39 2knj n ASN 56 Ca -0.13 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.97 2knj n ASN 56 Cb 0.58 0.00 0.50 0.00 -0.53 0.00 0.00 39.78 40.33 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 -0.92 1.20 -0.00 -1.86 -3.35 115.31 110.38 2knj h LEU 57 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.11 2knj h LEU 57 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 40.49 2knj h LEU 57 CO 0.00 0.15 -0.09 -1.84 -0.00 0.00 0.00 178.44 176.67 2knj n GLU 58 N -3.28 -0.08 0.09 0.17 0.28 -1.26 -3.40 120.64 113.16 2knj n GLU 58 Ca 0.01 1.41 -0.03 0.00 -0.16 0.00 0.00 57.16 58.38 2knj n GLU 58 Cb 0.41 -2.18 -0.02 0.00 1.43 0.00 0.00 31.44 31.08 2knj n GLU 58 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2knj h GLN 59 N 0.00 -0.22 0.39 3.44 4.15 -1.95 -1.59 115.11 119.34 2knj h GLN 59 Ca 0.51 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.93 2knj h GLN 59 Cb 0.95 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2knj h GLN 59 CO -0.90 -0.14 -0.19 0.00 -1.93 0.00 0.00 178.83 175.66 2knj h ALA 60 N -1.88 -0.53 -0.87 3.38 0.00 -1.85 -2.39 119.26 115.12 2knj h ALA 60 Ca -0.02 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.89 2knj h ALA 60 Cb 0.17 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.01 2knj h ALA 60 CO 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 179.25 178.58 2knj h MET 61 N -0.93 0.03 -0.16 0.00 -0.00 -1.56 0.48 114.93 112.78 2knj h MET 61 Ca -0.05 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.57 2knj h MET 61 Cb 0.55 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2knj h MET 61 CO 0.09 0.02 -0.24 0.66 -0.00 0.00 0.00 176.91 177.44 2knj h SER 62 N 0.03 0.28 -0.71 -0.10 4.64 -1.19 0.10 113.55 116.59 2knj h SER 62 Ca 0.45 -0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.75 2knj h SER 62 Cb 0.78 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 2knj h SER 62 CO -0.84 0.53 0.41 0.58 -0.87 0.00 0.00 176.83 176.64 2knj h VAL 63 N 0.26 0.98 0.18 0.95 2.07 -0.40 -3.30 116.25 116.98 2knj h VAL 63 Ca 0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2knj h VAL 63 Cb 0.57 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2knj h VAL 63 CO 0.04 0.14 -0.09 1.88 0.02 0.00 0.00 177.57 179.56 2knj h TYR 64 N 0.75 -0.22 -1.39 1.57 -1.99 -0.24 -3.47 116.97 111.98 2knj h TYR 64 Ca 0.32 -0.01 -0.48 0.00 2.00 0.00 0.00 58.73 60.56 2knj h TYR 64 Cb 0.19 0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2knj h TYR 64 CO -0.07 0.14 -0.33 -0.59 -0.00 0.00 0.00 178.16 177.31 2knj s PHE 65 N -3.00 2.57 0.58 4.88 -0.12 0.21 -5.07 117.98 118.03 2knj s PHE 65 Ca -0.10 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 2knj s PHE 65 Cb 0.00 -2.20 0.06 0.00 -0.63 0.00 0.00 43.02 40.26 2knj s PHE 65 CO 0.36 -0.27 0.81 0.95 -0.05 0.00 0.00 175.22 177.02 2knj s THR 66 N -2.48 2.49 0.42 -4.49 -4.23 -1.26 -4.60 115.64 101.49 2knj s THR 66 Ca 0.49 -0.73 0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2knj s THR 66 Cb -0.05 -2.76 0.19 0.00 1.34 0.00 0.00 72.50 71.22 2knj s THR 66 CO 0.29 0.00 1.97 -0.55 -0.54 0.00 0.00 174.62 175.79 2knj h ASN 67 N -0.00 0.18 -0.19 3.99 7.08 -1.97 -0.86 115.58 123.80 2knj h ASN 67 Ca -0.39 -0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 52.79 2knj h ASN 67 Cb 1.29 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 37.47 2knj h ASN 67 CO 0.46 0.29 0.04 -0.33 -2.08 0.00 0.00 177.43 175.82 2knj h GLU 68 N 0.19 0.30 -0.37 4.14 5.08 -1.99 0.01 114.58 121.94 2knj h GLU 68 Ca 0.04 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2knj h GLU 68 Cb 0.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2knj h GLU 68 CO 0.01 0.44 0.18 0.37 -1.00 0.00 0.00 179.01 179.01 2knj h GLN 69 N 0.11 0.36 -0.00 2.33 -0.00 -1.75 -1.63 115.11 114.53 2knj h GLN 69 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2knj h GLN 69 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.68 2knj h GLN 69 CO 0.00 0.24 -0.06 1.51 0.00 0.00 0.00 178.83 180.52 2knj n ILE 70 N -4.94 0.00 0.05 2.39 0.13 -0.40 -1.11 119.36 115.48 2knj n ILE 70 Ca 0.01 -0.01 -0.13 0.00 -1.10 0.00 0.00 62.75 61.53 2knj n ILE 70 Cb 0.09 -0.39 -0.08 0.00 -0.84 0.00 0.00 39.64 38.42 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 0.05 -0.10 0.54 9.51 1.57 -0.05 -0.15 116.57 127.95 2knj h LYS 71 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2knj h LYS 71 Cb 0.44 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2knj h LYS 71 CO 0.00 0.13 -0.47 1.49 -0.57 0.00 0.00 179.45 180.03 2knj h GLU 72 N -0.31 -0.96 -0.35 3.15 4.81 -0.79 -2.59 114.58 117.54 2knj h GLU 72 Ca -0.01 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2knj h GLU 72 Cb 0.27 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2knj h GLU 72 CO 0.02 -0.64 0.23 0.82 -0.73 0.00 0.00 179.01 178.71 2knj h ILE 73 N -0.99 1.05 0.05 2.32 2.04 -1.20 0.99 117.51 121.77 2knj h ILE 73 Ca -0.07 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2knj h ILE 73 Cb 0.84 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2knj h ILE 73 CO -0.02 0.07 -0.18 -0.74 0.00 0.00 0.00 178.15 177.29 2knj h HIS 74 N 0.41 -0.47 0.11 1.37 2.76 -0.69 0.88 115.15 119.51 2knj h HIS 74 Ca 0.14 0.01 -0.29 0.00 -2.20 0.00 0.00 60.37 58.02 2knj h HIS 74 Cb 0.05 0.20 0.03 0.00 1.55 0.00 0.00 27.41 29.24 2knj h HIS 74 CO -0.00 -0.26 -1.22 0.22 -1.30 0.00 0.00 177.93 175.37 2knj h ASP 75 N -0.32 0.88 -0.37 3.26 1.82 -0.96 -2.08 116.42 118.64 2knj h ASP 75 Ca 0.04 -0.82 0.03 0.00 -0.39 0.00 0.00 57.03 55.89 2knj h ASP 75 Cb 0.37 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 2knj h ASP 75 CO -0.13 1.60 0.16 0.00 -1.61 0.00 0.00 179.24 179.26 2knj h ALA 76 N 0.29 0.44 0.04 -0.78 0.00 0.12 0.64 119.26 120.01 2knj h ALA 76 Ca -0.18 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 2knj h ALA 76 Cb 1.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 2knj h ALA 76 CO 0.23 -0.22 -1.34 0.00 0.00 0.00 0.00 179.25 177.92 2knj h ALA 77 N 1.21 0.41 0.00 0.00 0.00 0.71 0.14 119.26 121.73 2knj h ALA 77 Ca 0.16 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 2knj h ALA 77 Cb 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2knj h ALA 77 CO -0.13 1.28 -0.20 1.15 0.00 0.00 0.00 179.25 181.35 2knj h THR 78 N 0.02 1.47 -0.02 0.00 2.02 -1.28 -3.17 112.91 111.96 2knj h THR 78 Ca -0.15 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2knj h THR 78 Cb 1.91 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 71.18 2knj h THR 78 CO 0.13 0.50 -0.20 0.00 0.37 0.00 0.00 175.52 176.32 2knj n ALA 79 N -2.77 2.95 -3.63 6.16 0.00 0.22 -4.61 120.51 118.84 2knj n ALA 79 Ca -0.12 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2knj n ALA 79 Cb 0.46 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 0.64 0.00 0.00 2.03 -0.96 -2.59 116.55 112.63 2knj n ASP 81 Ca -0.26 0.60 0.02 0.00 0.52 0.00 0.00 54.79 55.68 2knj n ASP 81 Cb 0.66 -0.76 0.10 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.15 0.01 -0.04 -0.67 -0.04 -1.26 0.90 135.00 131.76 2knj n PRO 82 Ca 0.04 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2knj n PRO 82 Cb 0.32 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.45 2knj n PRO 82 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2knj n GLU 83 N -1.46 2.29 0.00 0.54 -0.58 -1.07 -4.95 120.64 115.41 2knj n GLU 83 Ca 0.01 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.86 2knj n GLU 83 Cb 0.05 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2knj n ALA 84 N 1.25 0.00 -2.72 0.62 0.00 0.26 -5.11 120.51 114.81 2knj n ALA 84 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2knj n ALA 84 Cb 0.58 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.09 2knj n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2knj n HIS 85 N 0.00 -0.04 -2.84 0.00 8.25 -1.25 -4.97 115.22 114.38 2knj n HIS 85 Ca 0.00 -2.26 -0.07 0.00 -0.26 0.00 0.00 57.72 55.13 2knj n HIS 85 Cb 0.00 0.36 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 2knj n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2knj n HIS 86 N -0.57 -3.49 -2.50 4.41 8.25 -1.26 -5.09 115.22 114.97 2knj n HIS 86 Ca 0.02 -1.60 -0.39 0.00 -0.26 0.00 0.00 57.72 55.48 2knj n HIS 86 Cb 0.83 1.34 -0.03 0.00 1.12 0.00 0.00 29.99 33.25 2knj n HIS 86 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2knj s GLU 87 N 0.77 3.45 -0.27 -0.41 1.03 -1.26 -4.26 118.70 117.74 2knj s GLU 87 Ca 0.30 -0.98 -0.08 0.00 0.03 0.00 0.00 54.97 54.24 2knj s GLU 87 Cb 0.01 -5.27 0.01 0.00 -0.80 0.00 0.00 34.13 28.08 2knj s GLU 87 CO -0.07 -2.34 0.32 1.58 -1.33 0.00 0.00 175.26 173.41 2knj n HIS 88 N 9.52 -2.42 -1.65 4.83 -0.00 -1.26 -4.27 115.22 119.97 2knj n HIS 88 Ca 0.32 1.00 -0.47 0.00 -0.00 0.00 0.00 57.72 58.58 2knj n HIS 88 Cb 0.50 -3.23 -0.04 0.00 -0.00 0.00 0.00 29.99 27.22 2knj n HIS 88 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2knj n ASP 89 N -0.19 3.47 0.00 0.26 2.03 -1.26 -4.98 116.55 115.88 2knj n ASP 89 Ca 0.06 0.82 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2knj n ASP 89 Cb 0.24 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 2knj n ASP 89 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69