#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 -0.02 -1.40 -0.00 -1.26 -4.25 115.22 108.29 2knj n HIS 2 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 2knj n HIS 2 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 2knj n HIS 2 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2knj h GLN 3 N 0.00 0.51 -4.74 1.57 1.08 -2.07 -3.37 115.11 108.10 2knj h GLN 3 Ca 0.00 -0.44 -0.72 0.00 -1.45 0.00 0.00 58.65 56.04 2knj h GLN 3 Cb 0.00 0.10 -0.19 0.00 -0.05 0.00 0.00 27.48 27.34 2knj h GLN 3 CO 0.00 1.07 0.89 -1.21 -0.95 0.00 0.00 178.83 178.63 2knj s GLU 4 N -3.60 3.78 -0.26 1.46 8.01 -1.26 -4.89 118.70 121.94 2knj s GLU 4 Ca -0.13 -2.17 -0.05 0.00 0.01 0.00 0.00 54.97 52.64 2knj s GLU 4 Cb 0.05 -4.89 -0.12 0.00 -4.31 0.00 0.00 34.13 24.86 2knj s GLU 4 CO 0.83 -1.69 3.23 1.47 0.01 0.00 0.00 175.26 179.11 2knj n LEU 5 N 5.79 5.91 -3.00 1.80 -0.00 -1.26 -4.63 117.00 121.62 2knj n LEU 5 Ca 0.27 -3.62 -0.06 0.00 -0.00 0.00 0.00 56.01 52.60 2knj n LEU 5 Cb 0.46 -1.34 0.03 0.00 -0.00 0.00 0.00 43.42 42.57 2knj n LEU 5 CO 0.52 1.73 0.19 0.00 -0.00 0.00 0.00 177.39 179.83 2knj n THR 7 N -2.32 0.00 -4.23 0.00 -1.04 -1.26 -4.88 114.28 100.55 2knj n THR 7 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 2knj n THR 7 Cb 0.55 -0.68 -0.06 0.00 -1.82 0.00 0.00 70.33 68.32 2knj n THR 7 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2knj s LYS 8 N -1.96 2.47 -0.06 -2.82 1.02 -1.26 -4.80 119.74 112.33 2knj s LYS 8 Ca 0.00 -1.33 -0.00 0.00 0.02 0.00 0.00 55.97 54.66 2knj s LYS 8 Cb 0.00 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2knj s LYS 8 CO 0.00 0.35 0.05 0.41 -0.92 0.00 0.00 175.35 175.25 2knj n GLY 9 N -1.00 0.55 0.30 -3.33 0.00 -1.26 -4.91 105.19 95.54 2knj n GLY 9 Ca -0.06 -0.36 0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.09 0.00 -0.94 1.61 3.04 -1.98 0.61 116.42 118.67 2knj h ASP 10 Ca -0.03 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.79 2knj h ASP 10 Cb 1.02 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.25 2knj h ASP 10 CO 0.03 0.04 0.62 0.44 -2.04 0.00 0.00 179.24 178.33 2knj h ASP 11 N 0.00 1.01 -0.04 4.15 5.19 -1.98 0.25 116.42 124.99 2knj h ASP 11 Ca -0.00 -0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.17 2knj h ASP 11 Cb 0.18 -0.23 0.02 0.00 0.18 0.00 0.00 39.33 39.47 2knj h ASP 11 CO 0.01 0.69 -0.87 0.00 -3.12 0.00 0.00 179.24 175.95 2knj h ALA 12 N 1.45 0.16 -0.97 3.45 0.00 -1.25 -1.42 119.26 120.69 2knj h ALA 12 Ca 0.38 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2knj h ALA 12 Cb 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2knj h ALA 12 CO -0.12 0.60 0.63 1.25 0.00 0.00 0.00 179.25 181.61 2knj h LEU 13 N 0.31 1.04 -0.45 0.00 5.85 -0.98 0.79 115.31 121.87 2knj h LEU 13 Ca -0.10 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2knj h LEU 13 Cb 1.53 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2knj h LEU 13 CO 0.17 0.71 -0.02 0.58 -0.34 0.00 0.00 178.44 179.54 2knj h VAL 14 N 1.21 1.27 0.35 1.05 2.07 -0.49 0.49 116.25 122.19 2knj h VAL 14 Ca 0.39 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2knj h VAL 14 Cb 0.02 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2knj h VAL 14 CO -0.13 0.38 -0.17 0.74 0.02 0.00 0.00 177.57 178.41 2knj h THR 15 N 0.66 0.66 0.00 2.57 2.02 -0.51 -0.57 112.91 117.75 2knj h THR 15 Ca 0.13 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2knj h THR 15 Cb 0.54 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2knj h THR 15 CO 0.03 0.01 -0.10 1.05 0.37 0.00 0.00 175.52 176.87 2knj h GLU 16 N -0.48 0.00 -0.64 6.66 4.11 -0.85 -1.63 114.58 121.75 2knj h GLU 16 Ca -0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 2knj h GLU 16 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2knj h GLU 16 CO 0.08 0.10 0.17 1.25 0.07 0.00 0.00 179.01 180.67 2knj h LEU 17 N 0.00 0.96 -1.50 3.06 5.85 0.85 0.76 115.31 125.29 2knj h LEU 17 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2knj h LEU 17 Cb 0.47 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2knj h LEU 17 CO 0.01 0.94 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.46 2knj h GLU 18 N 0.94 0.00 -0.01 1.25 4.39 -0.19 -0.19 114.58 120.76 2knj h GLU 18 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2knj h GLU 18 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2knj h GLU 18 CO -0.00 0.26 -0.05 0.00 -1.16 0.00 0.00 179.01 178.06 2knj n ILE 20 N 0.06 1.61 1.46 0.00 5.41 0.25 -4.17 119.36 123.98 2knj n ILE 20 Ca 0.17 -0.69 0.14 0.00 1.00 0.00 0.00 62.75 63.37 2knj n ILE 20 Cb 0.36 -1.31 0.63 0.00 -0.71 0.00 0.00 39.64 38.62 2knj n ILE 20 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2knj n ARG 21 N -3.22 0.78 0.00 0.38 1.85 -0.21 -3.82 116.66 112.42 2knj n ARG 21 Ca -0.33 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.26 2knj n ARG 21 Cb 1.05 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.97 2knj n ARG 21 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2knj n LEU 22 N -0.88 0.07 0.00 2.89 -0.00 -1.21 -4.74 117.00 113.12 2knj n LEU 22 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2knj n LEU 22 Cb 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2knj n LEU 22 CO 0.23 0.02 0.00 0.54 -0.00 0.00 0.00 177.39 178.17 2knj n ARG 23 N -0.34 0.00 0.00 1.47 5.12 -1.25 -4.88 116.66 116.79 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 0.02 -3.11 0.00 0.00 -1.16 0.00 0.00 32.46 28.21 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 -2.00 0.00 0.07 0.55 5.41 -1.26 -4.66 119.36 117.47 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 5.53 -1.25 -3.64 4.38 2.88 -1.26 -4.88 113.62 115.37 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 1.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.76 1.42 0.00 -1.46 -0.02 -1.26 -4.75 135.00 126.18 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 0.25 0.00 -0.02 0.00 0.00 33.50 33.73 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 0.22 -0.25 -0.52 -0.58 -1.26 -4.03 120.64 114.22 2knj n GLU 27 Ca 0.00 0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.84 2knj n GLU 27 Cb 0.00 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.44 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 -1.11 -0.31 0.33 2.62 5.66 -1.26 -0.48 114.28 119.73 2knj n THR 28 Ca 0.06 1.57 -0.16 0.00 -3.05 0.00 0.00 64.05 62.47 2knj n THR 28 Cb 0.04 -2.15 -0.08 0.00 -1.55 0.00 0.00 70.33 66.60 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 -0.71 0.79 1.09 -0.26 -1.83 -0.76 115.58 113.90 2knj h ASN 29 Ca 0.30 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.98 2knj h ASN 29 Cb 0.47 0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.92 2knj h ASN 29 CO -0.69 -0.40 -0.38 0.00 -1.06 0.00 0.00 177.43 174.90 2knj h ALA 30 N -0.75 -1.20 0.29 -0.83 0.00 -1.60 -1.63 119.26 113.56 2knj h ALA 30 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2knj h ALA 30 Cb 0.69 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2knj h ALA 30 CO 0.14 -1.12 -0.36 0.00 0.00 0.00 0.00 179.25 177.91 2knj h ALA 31 N -1.44 -1.00 -0.01 0.00 0.00 -0.84 -1.81 119.26 114.15 2knj h ALA 31 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2knj h ALA 31 Cb 0.81 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2knj h ALA 31 CO 0.18 -1.03 0.01 0.74 0.00 0.00 0.00 179.25 179.14 2knj h PHE 32 N -0.67 0.00 -0.30 0.00 0.04 -1.25 0.38 116.94 115.15 2knj h PHE 32 Ca -0.04 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 2knj h PHE 32 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2knj h PHE 32 CO -0.24 0.00 -0.04 0.22 -0.60 0.00 0.00 178.31 177.65 2knj h ASP 33 N 0.00 0.56 1.59 2.17 3.58 -0.47 0.96 116.42 124.82 2knj h ASP 33 Ca 0.01 -0.34 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 2knj h ASP 33 Cb 0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2knj h ASP 33 CO -0.00 0.77 -0.41 -0.55 -2.88 0.00 0.00 179.24 176.17 2knj h ASN 34 N 0.34 0.00 0.55 2.28 -1.07 -1.09 -0.26 115.58 116.33 2knj h ASN 34 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.42 2knj h ASN 34 Cb 0.50 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.76 2knj h ASN 34 CO 0.02 0.41 -0.27 0.00 0.07 0.00 0.00 177.43 177.66 2knj h ALA 35 N 1.59 -0.78 0.00 4.14 0.00 -0.52 -2.09 119.26 121.60 2knj h ALA 35 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2knj h ALA 35 Cb 1.31 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2knj h ALA 35 CO 0.05 -0.72 -0.03 0.28 0.00 0.00 0.00 179.25 178.83 2knj h VAL 36 N -1.14 0.21 -0.59 0.00 2.07 0.87 0.57 116.25 118.23 2knj h VAL 36 Ca -0.08 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2knj h VAL 36 Cb 0.57 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2knj h VAL 36 CO 0.12 0.03 0.34 -0.61 0.02 0.00 0.00 177.57 177.48 2knj h GLN 37 N 0.00 0.65 0.29 1.57 4.15 -0.98 0.56 115.11 121.35 2knj h GLN 37 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2knj h GLN 37 Cb 0.17 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2knj h GLN 37 CO 0.00 0.43 -0.16 1.96 -1.93 0.00 0.00 178.83 179.13 2knj h GLN 38 N 0.67 -0.40 0.00 1.69 4.20 0.86 -3.27 115.11 118.85 2knj h GLN 38 Ca 0.25 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2knj h GLN 38 Cb 0.08 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2knj h GLN 38 CO -0.13 -0.27 0.00 1.37 -0.67 0.00 0.00 178.83 179.13 2knj h LEU 39 N -0.42 0.00 -1.17 1.46 -0.00 -1.41 -3.46 115.31 110.32 2knj h LEU 39 Ca -0.04 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.34 2knj h LEU 39 Cb 0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.89 2knj h LEU 39 CO 0.05 0.00 -0.80 -3.20 -0.00 0.00 0.00 178.44 174.49 2knj n ASN 40 N -2.71 -3.60 -0.61 0.17 2.85 0.20 -4.82 115.26 106.74 2knj n ASN 40 Ca 0.02 -0.89 0.06 0.00 -0.11 0.00 0.00 54.58 53.67 2knj n ASN 40 Cb 0.32 -3.42 0.18 0.00 1.24 0.00 0.00 39.78 38.11 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2knj n LEU 42 N 0.46 0.00 -4.87 0.00 0.00 -1.26 -4.83 117.00 106.49 2knj n LEU 42 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.79 2knj n LEU 42 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.66 2knj n LEU 42 CO 0.08 0.00 0.09 0.54 0.00 0.00 0.00 177.39 178.10 2knj s ASN 43 N 0.00 6.61 0.00 1.96 6.03 -1.26 -4.96 114.94 123.33 2knj s ASN 43 Ca 0.00 0.77 0.20 0.00 -1.03 0.00 0.00 52.86 52.80 2knj s ASN 43 Cb 0.00 -2.17 0.96 0.00 -3.03 0.00 0.00 41.25 37.01 2knj s ASN 43 CO 0.00 0.12 1.63 0.54 -2.03 0.00 0.00 177.10 177.36 2knj n ARG 44 N 0.62 0.20 0.21 3.55 3.00 -1.26 -2.81 116.66 120.18 2knj n ARG 44 Ca -0.06 0.12 0.05 0.00 -0.01 0.00 0.00 57.85 57.95 2knj n ARG 44 Cb 0.52 -1.50 0.46 0.00 0.00 0.00 0.00 32.46 31.94 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 2.87 1.46 -0.29 7.54 0.00 -1.91 0.16 119.26 129.09 2knj h ALA 45 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2knj h ALA 45 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2knj h ALA 45 CO 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 2knj h ALA 47 N 0.74 0.21 0.00 0.00 0.00 -1.62 -0.63 119.26 117.96 2knj h ALA 47 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2knj h ALA 47 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2knj h ALA 47 CO 0.05 -0.31 0.00 1.88 0.00 0.00 0.00 179.25 180.87 2knj h TYR 48 N 0.23 0.00 0.22 0.00 0.05 -0.81 -0.96 116.97 115.70 2knj h TYR 48 Ca 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2knj h TYR 48 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2knj h TYR 48 CO -0.07 0.00 -0.11 -0.09 -1.05 0.00 0.00 178.16 176.85 2knj h ARG 49 N 0.00 -0.28 -0.54 4.88 2.43 0.12 -0.87 114.38 120.12 2knj h ARG 49 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2knj h ARG 49 Cb 0.33 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 2knj h ARG 49 CO 0.00 -0.05 0.32 -0.22 -1.51 0.00 0.00 179.97 178.51 2knj h LYS 50 N -0.49 0.62 -1.12 0.20 3.64 -0.99 1.62 116.57 120.05 2knj h LYS 50 Ca -0.03 -0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.63 2knj h LYS 50 Cb 0.37 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 2knj h LYS 50 CO 0.05 0.41 0.77 1.98 -2.27 0.00 0.00 179.45 180.39 2knj h MET 51 N 0.64 0.16 0.06 1.90 4.05 -1.02 1.60 114.93 122.31 2knj h MET 51 Ca 0.22 -0.01 -0.38 0.00 -0.28 0.00 0.00 59.70 59.25 2knj h MET 51 Cb 0.03 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 2knj h MET 51 CO -0.10 0.11 -2.26 0.00 0.23 0.00 0.00 176.91 174.89 2knj n ALA 53 N -3.14 3.05 -3.88 0.00 0.00 0.54 -4.74 120.51 112.34 2knj n ALA 53 Ca -0.40 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 2knj n ALA 53 Cb 1.02 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.18 -1.92 -2.77 0.00 -2.24 0.54 -4.92 114.28 103.15 2knj n THR 54 Ca 0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.88 2knj n THR 54 Cb 0.46 -2.77 0.02 0.00 -2.10 0.00 0.00 70.33 65.94 2knj n THR 54 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2knj s ASN 55 N -3.26 -0.81 0.00 3.42 2.47 -1.23 -5.02 114.94 110.52 2knj s ASN 55 Ca 0.65 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 53.11 2knj s ASN 55 Cb -0.33 1.05 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 2knj s ASN 55 CO 0.81 -0.04 0.00 0.59 -3.72 0.00 0.00 177.10 174.73 2knj n ASN 56 N 3.05 0.00 -0.52 -4.21 4.13 -1.26 -4.58 115.26 111.86 2knj n ASN 56 Ca 0.13 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.47 2knj n ASN 56 Cb 0.61 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.88 2knj n ASN 56 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2knj n LEU 57 N 0.00 2.02 0.00 3.41 7.99 -1.26 -4.81 117.00 124.35 2knj n LEU 57 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 55.11 2knj n LEU 57 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2knj n LEU 57 CO 0.00 0.37 0.22 -0.62 -1.51 0.00 0.00 177.39 175.85 2knj n GLU 58 N 0.42 0.00 -0.33 3.23 4.71 -1.26 -3.38 120.64 124.03 2knj n GLU 58 Ca 0.08 0.07 -0.08 0.00 -0.01 0.00 0.00 57.16 57.21 2knj n GLU 58 Cb 0.38 -1.57 -0.05 0.00 -1.01 0.00 0.00 31.44 29.19 2knj n GLU 58 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2knj h GLN 59 N 0.00 -0.09 0.16 3.49 4.20 -1.95 0.34 115.11 121.25 2knj h GLN 59 Ca 0.00 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2knj h GLN 59 Cb 0.14 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2knj h GLN 59 CO 0.00 -0.06 -0.41 0.00 -0.67 0.00 0.00 178.83 177.69 2knj h ALA 60 N 0.67 -0.94 -0.67 3.87 0.00 -1.90 0.17 119.26 120.47 2knj h ALA 60 Ca 0.20 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2knj h ALA 60 Cb 0.51 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2knj h ALA 60 CO -0.85 -1.02 0.18 0.00 0.00 0.00 0.00 179.25 177.55 2knj h MET 61 N -0.63 0.30 0.00 0.00 -0.00 -1.55 0.01 114.93 113.07 2knj h MET 61 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2knj h MET 61 Cb 0.61 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2knj h MET 61 CO -0.19 0.20 0.00 -1.13 -0.00 0.00 0.00 176.91 175.79 2knj n SER 62 N -5.10 0.33 0.02 -0.10 3.41 0.12 -0.52 113.62 111.78 2knj n SER 62 Ca 0.11 0.60 -0.20 0.00 -0.26 0.00 0.00 58.87 59.12 2knj n SER 62 Cb 0.37 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 2knj n SER 62 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2knj h VAL 63 N 0.00 1.31 -0.25 -3.33 2.07 0.12 -3.39 116.25 112.78 2knj h VAL 63 Ca 0.00 -2.46 -0.06 0.00 0.82 0.00 0.00 66.70 65.00 2knj h VAL 63 Cb 0.24 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2knj h VAL 63 CO 0.00 0.69 -0.09 1.88 0.02 0.00 0.00 177.57 180.07 2knj h TYR 64 N -0.41 0.57 -1.57 1.57 -1.99 -0.20 -3.44 116.97 111.50 2knj h TYR 64 Ca -0.21 -0.13 -0.45 0.00 2.00 0.00 0.00 58.73 59.94 2knj h TYR 64 Cb 1.64 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 40.23 2knj h TYR 64 CO 0.17 0.74 -0.32 -0.59 -0.00 0.00 0.00 178.16 178.16 2knj s PHE 65 N -4.68 2.85 0.54 4.88 -0.12 0.32 -4.99 117.98 116.79 2knj s PHE 65 Ca -0.13 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.44 2knj s PHE 65 Cb 0.07 -2.19 0.05 0.00 -0.63 0.00 0.00 43.02 40.32 2knj s PHE 65 CO 0.77 -0.20 0.56 0.95 -0.05 0.00 0.00 175.22 177.25 2knj s THR 66 N -2.34 1.99 0.06 -4.49 -4.23 -1.26 -4.60 115.64 100.77 2knj s THR 66 Ca 0.50 -1.27 -0.27 0.00 -1.18 0.00 0.00 61.69 59.47 2knj s THR 66 Cb -0.08 -2.26 -0.17 0.00 1.34 0.00 0.00 72.50 71.34 2knj s THR 66 CO 0.31 0.00 1.60 -1.13 -0.54 0.00 0.00 174.62 174.85 2knj h ASN 67 N 0.55 -0.36 -0.41 3.99 -1.24 -2.00 -1.16 115.58 114.96 2knj h ASN 67 Ca -0.35 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 2knj h ASN 67 Cb 1.29 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.41 2knj h ASN 67 CO 0.50 -0.19 0.20 1.05 -1.29 0.00 0.00 177.43 177.71 2knj h GLU 68 N -0.50 0.64 -0.55 6.67 -0.00 -2.00 -1.93 114.58 116.92 2knj h GLU 68 Ca -0.04 -0.08 0.01 0.00 -0.00 0.00 0.00 59.36 59.25 2knj h GLU 68 Cb 0.37 -0.12 -0.03 0.00 -0.00 0.00 0.00 28.75 28.97 2knj h GLU 68 CO 0.07 0.51 0.36 0.37 -0.00 0.00 0.00 179.01 180.32 2knj h GLN 69 N 0.64 0.71 0.00 1.06 -0.00 -1.81 -1.69 115.11 114.01 2knj h GLN 69 Ca 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2knj h GLN 69 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.41 2knj h GLN 69 CO -0.02 0.47 -0.23 0.97 0.00 0.00 0.00 178.83 180.02 2knj h ILE 70 N 0.73 0.00 -0.37 2.39 6.09 -0.79 -0.44 117.51 125.11 2knj h ILE 70 Ca 0.21 -0.75 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 2knj h ILE 70 Cb -0.06 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 38.84 2knj h ILE 70 CO -0.06 0.00 0.21 0.11 -3.07 0.00 0.00 178.15 175.34 2knj h LYS 71 N 0.00 0.52 0.03 2.19 1.57 -0.98 0.25 116.57 120.15 2knj h LYS 71 Ca 0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2knj h LYS 71 Cb 0.88 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2knj h LYS 71 CO 0.00 0.42 -0.13 0.93 -0.57 0.00 0.00 179.45 180.10 2knj h GLU 72 N 0.48 -0.23 0.00 3.15 5.08 -0.55 -1.41 114.58 121.10 2knj h GLU 72 Ca 0.13 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2knj h GLU 72 Cb 0.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2knj h GLU 72 CO -0.02 -0.15 -0.14 0.82 -1.00 0.00 0.00 179.01 178.52 2knj h ILE 73 N -0.23 0.41 0.35 3.13 2.04 -1.06 -0.51 117.51 121.64 2knj h ILE 73 Ca 0.03 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 2knj h ILE 73 Cb 0.27 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2knj h ILE 73 CO -0.10 0.13 -0.17 -0.74 0.00 0.00 0.00 178.15 177.27 2knj h HIS 74 N 0.00 -0.44 0.00 1.37 2.76 0.58 0.95 115.15 120.37 2knj h HIS 74 Ca -0.00 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 2knj h HIS 74 Cb 0.54 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2knj h HIS 74 CO 0.00 -0.17 -0.35 -0.44 -1.30 0.00 0.00 177.93 175.67 2knj h ASP 75 N -0.66 0.00 0.12 3.26 3.32 -1.37 0.33 116.42 121.42 2knj h ASP 75 Ca -0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 2knj h ASP 75 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2knj h ASP 75 CO 0.08 0.35 -0.36 0.00 -1.72 0.00 0.00 179.24 177.60 2knj h ALA 76 N 1.65 1.10 0.03 3.45 0.00 -0.81 -0.83 119.26 123.84 2knj h ALA 76 Ca -0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 54.91 54.16 2knj h ALA 76 Cb 0.95 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2knj h ALA 76 CO 0.05 0.57 -2.21 0.00 0.00 0.00 0.00 179.25 177.66 2knj n ALA 77 N -2.48 1.35 0.01 0.00 0.00 0.33 -0.69 120.51 119.02 2knj n ALA 77 Ca -0.01 -1.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 2knj n ALA 77 Cb 0.45 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 2knj n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2knj h THR 78 N 0.02 1.36 -0.01 0.00 2.02 -0.45 -3.15 112.91 112.69 2knj h THR 78 Ca -0.48 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 64.59 2knj h THR 78 Cb 2.05 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 2knj h THR 78 CO 0.01 0.63 -0.41 0.00 0.37 0.00 0.00 175.52 176.12 2knj n ALA 79 N -2.60 3.42 -3.69 6.16 0.00 -0.33 -4.68 120.51 118.78 2knj n ALA 79 Ca -0.10 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 2knj n ALA 79 Cb 0.74 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.09 2.74 -0.01 0.00 1.01 0.13 -4.93 116.67 111.52 2knj s ASP 81 Ca 0.17 -3.18 0.02 0.00 0.71 0.00 0.00 52.55 50.27 2knj s ASP 81 Cb -0.08 -0.84 0.07 0.00 1.01 0.00 0.00 42.92 43.08 2knj s ASP 81 CO 0.80 -0.17 0.86 -2.65 0.21 0.00 0.00 175.17 174.22 2knj n PRO 82 N 2.76 1.26 0.00 8.23 -0.02 -1.26 -1.04 135.00 144.93 2knj n PRO 82 Ca 0.23 -0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2knj n PRO 82 Cb 0.42 -1.29 0.65 0.00 -0.02 0.00 0.00 33.50 33.27 2knj n PRO 82 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2knj n GLU 83 N -0.14 0.35 -2.09 -0.52 1.02 -1.26 -4.93 120.64 113.07 2knj n GLU 83 Ca 0.02 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2knj n GLU 83 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2knj n ALA 84 N -1.30 -3.24 -1.11 0.62 0.00 -0.20 -4.85 120.51 110.43 2knj n ALA 84 Ca 0.12 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 2knj n ALA 84 Cb 0.21 -0.50 -0.05 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 0.00 177.50 179.08 2knj n HIS 85 N 0.34 1.70 -2.74 0.00 -0.00 -1.19 -4.50 115.22 108.83 2knj n HIS 85 Ca 0.00 -2.51 -0.05 0.00 0.46 0.00 0.00 57.72 55.62 2knj n HIS 85 Cb 0.00 -2.12 0.01 0.00 -0.12 0.00 0.00 29.99 27.76 2knj n HIS 85 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2knj n HIS 86 N 3.48 -2.98 -0.02 1.57 8.25 -1.26 -4.98 115.22 119.29 2knj n HIS 86 Ca 0.64 1.19 -0.06 0.00 -0.26 0.00 0.00 57.72 59.23 2knj n HIS 86 Cb 0.34 -3.80 -0.13 0.00 1.12 0.00 0.00 29.99 27.52 2knj n HIS 86 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2knj n GLU 87 N -0.67 0.64 -1.81 -0.41 0.00 -1.26 -4.58 120.64 112.54 2knj n GLU 87 Ca 0.08 0.22 -0.42 0.00 0.00 0.00 0.00 57.16 57.04 2knj n GLU 87 Cb 0.43 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2knj n GLU 87 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2knj n HIS 88 N -2.94 3.50 -1.69 -1.84 1.44 -1.26 -4.81 115.22 107.62 2knj n HIS 88 Ca -0.17 -2.96 -0.30 0.00 -2.01 0.00 0.00 57.72 52.29 2knj n HIS 88 Cb 0.99 -2.49 0.08 0.00 0.12 0.00 0.00 29.99 28.69 2knj n HIS 88 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2knj s ASP 89 N 2.96 4.72 0.00 4.39 -4.77 -1.26 -5.23 116.67 117.48 2knj s ASP 89 Ca 0.46 1.17 0.00 0.00 -3.30 0.00 0.00 52.55 50.89 2knj s ASP 89 Cb 0.13 -1.89 0.00 0.00 -1.09 0.00 0.00 42.92 40.07 2knj s ASP 89 CO -0.08 -1.81 0.00 1.41 0.70 0.00 0.00 175.17 175.40