#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 0.13 1.57 -0.00 -1.26 -4.00 115.22 111.66 2knj n HIS 2 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2knj n HIS 2 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 2knj n HIS 2 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2knj h GLN 3 N 0.00 -0.27 -3.30 1.57 4.15 -2.05 -3.24 115.11 111.97 2knj h GLN 3 Ca 0.00 0.02 -0.78 0.00 0.77 0.00 0.00 58.65 58.66 2knj h GLN 3 Cb 0.00 0.06 -0.30 0.00 0.21 0.00 0.00 27.48 27.45 2knj h GLN 3 CO 0.00 -0.07 0.40 -1.91 -1.93 0.00 0.00 178.83 175.32 2knj n GLU 4 N -5.15 3.57 -0.40 1.69 2.13 -1.26 -4.54 120.64 116.69 2knj n GLU 4 Ca -0.09 -4.50 0.10 0.00 0.66 0.00 0.00 57.16 53.33 2knj n GLU 4 Cb 0.19 -2.50 0.29 0.00 0.27 0.00 0.00 31.44 29.69 2knj n GLU 4 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2knj n LEU 5 N 2.19 3.96 -2.96 4.31 -0.00 -1.23 -1.64 117.00 121.62 2knj n LEU 5 Ca 0.24 -2.17 -0.15 0.00 -0.00 0.00 0.00 56.01 53.94 2knj n LEU 5 Cb 0.37 -0.46 -0.01 0.00 -0.00 0.00 0.00 43.42 43.32 2knj n LEU 5 CO 0.51 0.87 -0.03 0.00 -0.00 0.00 0.00 177.39 178.74 2knj n THR 7 N 1.76 0.00 -2.78 0.00 -1.04 -1.26 -2.54 114.28 108.42 2knj n THR 7 Ca 0.16 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 2knj n THR 7 Cb 0.58 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.14 2knj n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2knj n LYS 8 N 0.00 1.55 0.00 -2.82 5.02 -1.26 -5.04 118.16 115.61 2knj n LYS 8 Ca 0.00 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 2knj n LYS 8 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.60 2.79 0.30 0.72 0.00 -1.05 -1.54 105.19 105.80 2knj n GLY 9 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.69 -0.07 1.61 3.58 -1.90 -0.96 116.42 119.36 2knj h ASP 10 Ca 0.00 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.49 2knj h ASP 10 Cb 0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2knj h ASP 10 CO 0.00 0.43 0.00 -0.78 -2.88 0.00 0.00 179.24 176.01 2knj h ASP 11 N 0.82 -0.02 0.17 2.28 3.58 -1.67 0.28 116.42 121.86 2knj h ASP 11 Ca 0.36 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 2knj h ASP 11 Cb 0.23 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2knj h ASP 11 CO -0.20 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 176.08 2knj h ALA 12 N 1.06 -0.23 0.00 -0.78 0.00 -1.00 -2.18 119.26 116.14 2knj h ALA 12 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knj h ALA 12 Cb 0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2knj h ALA 12 CO -0.05 -0.55 0.00 1.47 0.00 0.00 0.00 179.25 180.11 2knj n LEU 13 N -5.12 0.06 -0.02 0.00 -0.00 -0.41 -1.02 117.00 110.49 2knj n LEU 13 Ca -0.09 0.51 -0.11 0.00 -0.00 0.00 0.00 56.01 56.33 2knj n LEU 13 Cb 0.17 -0.49 -0.14 0.00 -0.00 0.00 0.00 43.42 42.95 2knj n LEU 13 CO 0.33 -0.09 -0.59 0.52 -0.00 0.00 0.00 177.39 177.56 2knj n VAL 14 N -1.56 1.63 -0.00 1.47 0.31 0.07 -0.05 118.33 120.20 2knj n VAL 14 Ca 0.06 -0.78 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 2knj n VAL 14 Cb 0.29 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 2knj n VAL 14 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2knj h THR 15 N 0.01 1.11 -0.78 2.52 2.02 -0.79 0.45 112.91 117.45 2knj h THR 15 Ca -0.32 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.61 2knj h THR 15 Cb 2.03 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.56 2knj h THR 15 CO 0.08 0.09 0.47 -0.33 0.37 0.00 0.00 175.52 176.20 2knj h GLU 16 N -0.00 0.86 -0.58 6.66 5.08 -1.17 -1.37 114.58 124.06 2knj h GLU 16 Ca 0.02 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2knj h GLU 16 Cb 0.11 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 2knj h GLU 16 CO -0.00 0.57 0.21 -0.07 -1.00 0.00 0.00 179.01 178.72 2knj h LEU 17 N 0.89 0.20 -1.16 1.33 3.38 0.05 0.78 115.31 120.77 2knj h LEU 17 Ca 0.33 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.48 2knj h LEU 17 Cb 0.12 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 2knj h LEU 17 CO -0.15 0.13 0.59 -0.08 0.09 0.00 0.00 178.44 179.01 2knj h GLU 18 N 0.39 0.87 0.00 1.13 4.81 0.10 0.19 114.58 122.07 2knj h GLU 18 Ca 0.29 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2knj h GLU 18 Cb 0.35 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2knj h GLU 18 CO -0.30 0.58 -1.32 0.00 -0.73 0.00 0.00 179.01 177.24 2knj n ILE 20 N -2.43 0.59 0.12 0.00 5.41 0.27 -0.39 119.36 122.92 2knj n ILE 20 Ca -0.01 0.15 0.01 0.00 1.00 0.00 0.00 62.75 63.90 2knj n ILE 20 Cb 0.54 -1.01 0.06 0.00 -0.71 0.00 0.00 39.64 38.52 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 -1.20 0.05 -3.99 0.38 1.74 -0.56 -4.84 116.66 108.24 2knj n ARG 21 Ca 0.05 0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 2knj n ARG 21 Cb 0.05 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 2knj n ARG 21 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2knj n LEU 22 N -1.11 -2.33 -1.49 0.55 4.32 0.47 -4.74 117.00 112.66 2knj n LEU 22 Ca 0.01 -0.86 0.08 0.00 -0.02 0.00 0.00 56.01 55.22 2knj n LEU 22 Cb 0.01 -2.42 0.32 0.00 -1.62 0.00 0.00 43.42 39.72 2knj n LEU 22 CO 0.01 0.42 0.77 0.54 -1.22 0.00 0.00 177.39 177.91 2knj n ARG 23 N -4.57 3.59 0.00 3.23 5.12 -1.26 -4.84 116.66 117.93 2knj n ARG 23 Ca 0.01 -2.55 0.00 0.00 -1.93 0.00 0.00 57.85 53.38 2knj n ARG 23 Cb 0.53 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.89 0.00 0.00 0.55 5.41 -1.26 -5.02 119.36 119.93 2knj n ILE 24 Ca 0.23 0.35 0.00 0.00 1.00 0.00 0.00 62.75 64.32 2knj n ILE 24 Cb 0.85 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 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 0.00 0.00 -3.14 4.38 2.88 -1.26 -4.88 113.62 111.60 2knj n SER 25 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2knj n SER 25 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.22 0.00 -1.46 -0.02 -1.26 -4.79 135.00 126.25 2knj n PRO 26 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2knj n PRO 26 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 33.59 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 -1.50 0.12 -0.23 -0.52 1.02 -1.26 -4.06 120.64 114.22 2knj n GLU 27 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 2knj n GLU 27 Cb 0.00 -1.46 0.12 0.00 -0.02 0.00 0.00 31.44 30.07 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2knj n THR 28 N -0.96 -0.27 0.06 2.62 5.66 -1.26 0.23 114.28 120.36 2knj n THR 28 Ca 0.03 1.43 -0.11 0.00 -3.05 0.00 0.00 64.05 62.35 2knj n THR 28 Cb 0.01 -2.02 -0.07 0.00 -1.55 0.00 0.00 70.33 66.70 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 -0.20 0.63 1.09 2.35 -1.90 -1.70 115.58 115.85 2knj h ASN 29 Ca 0.33 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2knj h ASN 29 Cb 0.56 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2knj h ASN 29 CO -0.63 0.34 -0.48 0.00 -1.65 0.00 0.00 177.43 175.00 2knj h ALA 30 N -0.34 -1.21 0.63 -0.83 0.00 -1.53 -1.14 119.26 114.85 2knj h ALA 30 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2knj h ALA 30 Cb 0.52 0.66 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2knj h ALA 30 CO 0.04 -1.20 -0.30 0.00 0.00 0.00 0.00 179.25 177.79 2knj h ALA 31 N -1.07 -0.85 0.00 0.00 0.00 -0.33 -2.10 119.26 114.90 2knj h ALA 31 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2knj h ALA 31 Cb 0.89 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2knj h ALA 31 CO 0.02 -0.90 -0.04 0.74 0.00 0.00 0.00 179.25 179.07 2knj h PHE 32 N -0.99 0.00 -0.02 0.00 0.04 -1.41 -1.98 116.94 112.58 2knj h PHE 32 Ca -0.09 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 2knj h PHE 32 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2knj h PHE 32 CO -0.01 0.04 0.01 0.22 -0.60 0.00 0.00 178.31 177.97 2knj h ASP 33 N 0.00 0.03 0.57 2.17 3.58 -0.54 0.79 116.42 123.02 2knj h ASP 33 Ca -0.00 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.21 2knj h ASP 33 Cb 0.08 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2knj h ASP 33 CO 0.01 0.14 -0.57 -0.55 -2.88 0.00 0.00 179.24 175.39 2knj h ASN 34 N -0.08 0.00 0.59 2.28 -1.07 -1.14 0.65 115.58 116.80 2knj h ASN 34 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.35 2knj h ASN 34 Cb 0.12 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.38 2knj h ASN 34 CO -0.00 0.57 -0.28 0.00 0.07 0.00 0.00 177.43 177.78 2knj h ALA 35 N 1.43 -0.79 0.00 4.14 0.00 -0.94 -1.63 119.26 121.47 2knj h ALA 35 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2knj h ALA 35 Cb 1.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2knj h ALA 35 CO 0.07 -0.85 0.00 0.28 0.00 0.00 0.00 179.25 178.75 2knj h VAL 36 N -0.99 0.00 -0.69 0.00 2.07 0.64 0.19 116.25 117.47 2knj h VAL 36 Ca -0.08 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2knj h VAL 36 Cb 0.66 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2knj h VAL 36 CO 0.13 0.00 0.28 -0.61 0.02 0.00 0.00 177.57 177.40 2knj h GLN 37 N 0.00 1.01 0.45 1.57 4.15 0.42 0.41 115.11 123.12 2knj h GLN 37 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 2knj h GLN 37 Cb 0.51 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 2knj h GLN 37 CO 0.00 0.81 -0.26 1.96 -1.93 0.00 0.00 178.83 179.41 2knj h GLN 38 N 0.99 -0.64 0.00 1.69 4.20 0.38 -3.27 115.11 118.46 2knj h GLN 38 Ca 0.23 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 2knj h GLN 38 Cb 0.17 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2knj h GLN 38 CO -0.02 -0.43 -0.25 1.37 -0.67 0.00 0.00 178.83 178.83 2knj h LEU 39 N -0.67 0.00 -1.16 1.46 -0.00 -1.51 -3.46 115.31 109.98 2knj h LEU 39 Ca -0.06 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.35 2knj h LEU 39 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 2knj h LEU 39 CO 0.07 0.25 -0.78 -3.20 -0.00 0.00 0.00 178.44 174.78 2knj n ASN 40 N -3.22 -3.96 -1.09 0.17 2.85 0.14 -4.82 115.26 105.34 2knj n ASN 40 Ca 0.02 -0.81 0.01 0.00 -0.11 0.00 0.00 54.58 53.70 2knj n ASN 40 Cb 0.57 -3.82 0.14 0.00 1.24 0.00 0.00 39.78 37.92 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 0.19 0.00 -4.78 0.00 7.94 -1.26 -4.80 117.00 114.29 2knj n LEU 42 Ca 0.12 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.67 2knj n LEU 42 Cb 0.65 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.53 2knj n LEU 42 CO 0.14 0.00 -0.24 0.54 -1.11 0.00 0.00 177.39 176.72 2knj s ASN 43 N 0.00 5.80 0.19 1.96 6.03 -1.26 -4.97 114.94 122.69 2knj s ASN 43 Ca 0.00 0.29 0.22 0.00 -1.03 0.00 0.00 52.86 52.33 2knj s ASN 43 Cb 0.00 -1.76 0.89 0.00 -3.03 0.00 0.00 41.25 37.35 2knj s ASN 43 CO 0.00 0.38 1.66 0.54 -2.03 0.00 0.00 177.10 177.64 2knj n ARG 44 N 1.92 0.15 0.22 3.55 1.74 -1.26 -1.37 116.66 121.60 2knj n ARG 44 Ca -0.18 0.36 0.15 0.00 -0.77 0.00 0.00 57.85 57.41 2knj n ARG 44 Cb 0.54 -1.77 0.66 0.00 -1.02 0.00 0.00 32.46 30.87 2knj n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2knj h ALA 45 N 2.35 1.00 0.01 7.54 0.00 -1.92 -1.84 119.26 126.39 2knj h ALA 45 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2knj h ALA 45 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2knj h ALA 45 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 2knj h ALA 47 N 0.11 0.74 -0.34 0.00 0.00 -1.66 -1.49 119.26 116.62 2knj h ALA 47 Ca -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2knj h ALA 47 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2knj h ALA 47 CO 0.01 -0.12 -0.11 -0.92 0.00 0.00 0.00 179.25 178.11 2knj h TYR 48 N 0.48 0.77 -0.80 0.00 5.03 -1.39 -0.14 116.97 120.93 2knj h TYR 48 Ca 0.27 -0.18 0.15 0.00 2.58 0.00 0.00 58.73 61.56 2knj h TYR 48 Cb 0.25 -0.18 -0.10 0.00 1.55 0.00 0.00 36.73 38.25 2knj h TYR 48 CO -0.13 0.86 0.35 -0.09 -1.32 0.00 0.00 178.16 177.83 2knj h ARG 49 N 0.46 0.47 0.00 1.82 2.43 0.27 0.79 114.38 120.62 2knj h ARG 49 Ca 0.08 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 2knj h ARG 49 Cb 0.63 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2knj h ARG 49 CO 0.04 0.31 -1.09 -0.22 -1.51 0.00 0.00 179.97 177.50 2knj h LYS 50 N 0.49 0.00 -0.32 0.20 3.64 -1.02 0.83 116.57 120.39 2knj h LYS 50 Ca 0.45 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2knj h LYS 50 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2knj h LYS 50 CO -0.41 0.73 0.17 1.98 -2.27 0.00 0.00 179.45 179.65 2knj h MET 51 N 0.00 0.45 -0.69 1.90 4.05 -0.34 0.44 114.93 120.74 2knj h MET 51 Ca -0.08 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 2knj h MET 51 Cb 1.73 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 32.41 2knj h MET 51 CO 0.10 0.39 0.32 0.00 0.23 0.00 0.00 176.91 177.95 2knj h ALA 53 N 1.38 0.85 0.00 0.00 0.00 -0.70 -3.46 119.26 117.33 2knj h ALA 53 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2knj h ALA 53 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2knj h ALA 53 CO -0.03 0.57 0.00 -2.37 0.00 0.00 0.00 179.25 177.42 2knj n THR 54 N -4.30 0.00 0.00 0.00 5.66 -0.33 -5.05 114.28 110.26 2knj n THR 54 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2knj n THR 54 Cb 0.25 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 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 -1.90 0.00 0.00 1.09 6.94 0.14 -4.80 115.26 116.73 2knj n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2knj n ASN 55 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2knj n ASN 56 N 0.00 0.00 -0.63 0.53 5.15 -1.26 -4.22 115.26 114.83 2knj n ASN 56 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 2knj n ASN 56 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 2knj n ASN 56 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2knj n LEU 57 N 0.00 2.28 0.19 1.20 7.99 -1.26 -4.19 117.00 123.22 2knj n LEU 57 Ca 0.00 -0.87 0.08 0.00 -0.01 0.00 0.00 56.01 55.22 2knj n LEU 57 Cb 0.00 0.00 0.45 0.00 -0.11 0.00 0.00 43.42 43.76 2knj n LEU 57 CO 0.00 0.41 0.86 1.05 -1.51 0.00 0.00 177.39 178.19 2knj h GLU 58 N 3.09 0.00 -0.71 3.23 -0.00 -1.89 -1.50 114.58 116.80 2knj h GLU 58 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.42 2knj h GLU 58 Cb 0.78 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.44 2knj h GLU 58 CO 0.00 0.00 -0.42 0.94 -0.00 0.00 0.00 179.01 179.53 2knj n GLN 59 N -2.21 -0.31 0.36 1.06 7.27 -1.26 0.36 117.38 122.64 2knj n GLN 59 Ca -0.01 1.18 -0.15 0.00 0.07 0.00 0.00 57.00 58.10 2knj n GLN 59 Cb 0.31 -1.74 -0.07 0.00 2.41 0.00 0.00 30.24 31.15 2knj n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2knj h ALA 60 N 0.24 -0.94 -0.93 1.69 0.00 -1.61 -0.34 119.26 117.36 2knj h ALA 60 Ca 0.11 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.09 2knj h ALA 60 Cb 0.29 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 2knj h ALA 60 CO -0.67 -0.88 0.34 0.00 0.00 0.00 0.00 179.25 178.04 2knj h MET 61 N -1.25 0.21 0.00 0.00 -0.00 -1.54 0.21 114.93 112.57 2knj h MET 61 Ca -0.10 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.54 2knj h MET 61 Cb 0.72 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.27 2knj h MET 61 CO 0.16 0.14 -0.24 1.03 -0.00 0.00 0.00 176.91 178.00 2knj h SER 62 N 0.22 0.00 -0.27 -0.10 0.87 0.26 0.39 113.55 114.92 2knj h SER 62 Ca 0.63 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 61.09 2knj h SER 62 Cb 1.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 2knj h SER 62 CO -0.67 0.24 -0.22 0.58 -0.53 0.00 0.00 176.83 176.23 2knj h VAL 63 N 0.00 1.31 0.20 2.23 2.07 0.11 -3.38 116.25 118.79 2knj h VAL 63 Ca -0.00 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2knj h VAL 63 Cb 0.56 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2knj h VAL 63 CO 0.03 0.43 -0.10 1.88 0.02 0.00 0.00 177.57 179.83 2knj h TYR 64 N 0.35 -0.25 -4.27 1.57 -1.99 -0.24 -3.46 116.97 108.69 2knj h TYR 64 Ca 0.05 -0.01 -0.49 0.00 2.00 0.00 0.00 58.73 60.28 2knj h TYR 64 Cb 0.76 0.08 0.07 0.00 2.00 0.00 0.00 36.73 39.64 2knj h TYR 64 CO 0.07 -0.16 0.36 -0.59 -0.00 0.00 0.00 178.16 177.85 2knj s PHE 65 N -2.64 3.40 0.45 4.88 -0.12 0.13 -5.05 117.98 119.04 2knj s PHE 65 Ca -0.04 1.03 0.03 0.00 -0.05 0.00 0.00 56.93 57.90 2knj s PHE 65 Cb 0.00 -2.89 0.01 0.00 -0.63 0.00 0.00 43.02 39.51 2knj s PHE 65 CO 0.12 -0.96 0.65 0.95 -0.05 0.00 0.00 175.22 175.93 2knj s THR 66 N -3.23 3.50 0.32 -4.49 -4.23 -1.26 -4.57 115.64 101.69 2knj s THR 66 Ca 0.56 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2knj s THR 66 Cb -0.11 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.68 2knj s THR 66 CO 0.51 -0.16 1.93 -1.13 -0.54 0.00 0.00 174.62 175.23 2knj h ASN 67 N 0.42 0.73 -0.48 3.99 -1.24 -1.98 0.92 115.58 117.94 2knj h ASN 67 Ca -0.44 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 56.45 2knj h ASN 67 Cb 1.27 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 40.12 2knj h ASN 67 CO 0.53 0.62 0.09 1.05 -1.29 0.00 0.00 177.43 178.43 2knj h GLU 68 N 0.81 0.79 -0.59 6.67 4.11 -1.99 0.26 114.58 124.64 2knj h GLU 68 Ca 0.20 -0.21 0.03 0.00 0.07 0.00 0.00 59.36 59.45 2knj h GLU 68 Cb 0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2knj h GLU 68 CO -0.03 0.79 0.35 0.37 0.07 0.00 0.00 179.01 180.57 2knj h GLN 69 N 0.66 0.68 0.00 1.06 -0.00 -1.62 -1.91 115.11 113.99 2knj h GLN 69 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 2knj h GLN 69 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.70 2knj h GLN 69 CO 0.01 0.45 -0.08 0.97 0.00 0.00 0.00 178.83 180.18 2knj h ILE 70 N 0.70 0.00 -0.14 2.39 6.09 -0.73 -1.67 117.51 124.15 2knj h ILE 70 Ca 0.24 -0.61 0.02 0.00 -1.37 0.00 0.00 64.86 63.14 2knj h ILE 70 Cb 0.04 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 38.86 2knj h ILE 70 CO -0.11 0.00 0.02 0.50 -3.07 0.00 0.00 178.15 175.49 2knj h LYS 71 N 0.00 0.07 0.47 2.19 3.64 -0.18 0.45 116.57 123.22 2knj h LYS 71 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2knj h LYS 71 Cb 0.80 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2knj h LYS 71 CO 0.00 0.05 -0.46 0.93 -2.27 0.00 0.00 179.45 177.70 2knj h GLU 72 N 0.08 -0.91 0.00 1.90 5.08 -0.95 -2.19 114.58 117.59 2knj h GLU 72 Ca 0.06 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2knj h GLU 72 Cb 0.06 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2knj h GLU 72 CO -0.09 -0.60 0.00 -0.89 -1.00 0.00 0.00 179.01 176.43 2knj n ILE 73 N -5.54 1.13 0.03 3.13 5.41 -0.67 -0.61 119.36 122.25 2knj n ILE 73 Ca -0.11 0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.85 2knj n ILE 73 Cb 0.44 -1.11 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 2knj n ILE 73 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2knj h HIS 74 N 0.00 -0.18 -0.03 1.39 2.76 0.53 0.61 115.15 120.24 2knj h HIS 74 Ca 0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 2knj h HIS 74 Cb 0.22 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2knj h HIS 74 CO 0.00 0.17 -0.23 0.22 -1.30 0.00 0.00 177.93 176.78 2knj h ASP 75 N -0.97 0.05 0.40 3.26 3.58 -1.28 -2.24 116.42 119.22 2knj h ASP 75 Ca -0.02 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2knj h ASP 75 Cb 0.43 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2knj h ASP 75 CO 0.03 0.29 -0.19 0.00 -2.88 0.00 0.00 179.24 176.49 2knj h ALA 76 N 1.72 -0.53 0.00 -0.78 0.00 -0.22 0.28 119.26 119.72 2knj h ALA 76 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 76 Cb 0.45 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2knj h ALA 76 CO 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.65 2knj h ALA 77 N -0.46 1.00 0.00 0.00 0.00 0.45 0.92 119.26 121.17 2knj h ALA 77 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2knj h ALA 77 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2knj h ALA 77 CO 0.09 0.00 -0.29 2.41 0.00 0.00 0.00 179.25 181.46 2knj n THR 78 N -2.56 0.67 1.11 0.00 -1.04 -0.86 -4.02 114.28 107.59 2knj n THR 78 Ca -0.01 0.36 0.12 0.00 -2.04 0.00 0.00 64.05 62.48 2knj n THR 78 Cb 0.12 -1.91 0.17 0.00 -1.82 0.00 0.00 70.33 66.89 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 -3.03 3.25 -2.99 2.41 0.00 0.96 -4.35 120.51 116.76 2knj n ALA 79 Ca -0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2knj n ALA 79 Cb 0.15 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.17 3.48 -0.83 0.00 1.01 -1.21 -4.90 116.67 111.06 2knj s ASP 81 Ca 0.26 -2.56 -0.22 0.00 0.71 0.00 0.00 52.55 50.73 2knj s ASP 81 Cb -0.11 -0.90 -0.15 0.00 1.01 0.00 0.00 42.92 42.77 2knj s ASP 81 CO 0.34 -0.27 1.93 -2.65 0.21 0.00 0.00 175.17 174.72 2knj n PRO 82 N 3.61 1.53 -3.58 8.23 -0.02 -1.25 -2.00 135.00 141.51 2knj n PRO 82 Ca 0.10 -1.94 -0.20 0.00 -2.02 0.00 0.00 63.50 59.45 2knj n PRO 82 Cb 0.35 -3.03 0.06 0.00 -0.02 0.00 0.00 33.50 30.86 2knj n PRO 82 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2knj n GLU 83 N 7.18 -5.53 0.00 -0.52 2.13 -1.24 -4.85 120.64 117.81 2knj n GLU 83 Ca 0.49 0.72 0.00 0.00 0.66 0.00 0.00 57.16 59.03 2knj n GLU 83 Cb 0.41 -5.46 0.00 0.00 0.27 0.00 0.00 31.44 26.66 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2knj n ALA 84 N -4.19 -0.01 -2.78 4.31 0.00 -1.26 -4.76 120.51 111.82 2knj n ALA 84 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 2knj n ALA 84 Cb 0.67 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.05 1.32 -3.58 0.00 -0.00 -1.26 -5.07 115.22 105.57 2knj n HIS 85 Ca 0.00 -2.25 -0.13 0.00 0.46 0.00 0.00 57.72 55.80 2knj n HIS 85 Cb 0.00 -0.26 -0.06 0.00 -0.12 0.00 0.00 29.99 29.55 2knj n HIS 85 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2knj s HIS 86 N -3.69 -0.56 -0.18 1.57 5.65 -1.26 -5.18 115.29 111.64 2knj s HIS 86 Ca 0.28 1.14 -0.15 0.00 0.25 0.00 0.00 55.06 56.59 2knj s HIS 86 Cb 0.35 0.39 0.05 0.00 -1.18 0.00 0.00 32.58 32.18 2knj s HIS 86 CO -0.03 -0.41 0.46 -2.00 -0.65 0.00 0.00 174.74 172.11 2knj s GLU 87 N -0.59 0.51 -1.09 2.88 2.12 -1.26 -3.91 118.70 117.37 2knj s GLU 87 Ca -0.03 0.70 -0.03 0.00 0.36 0.00 0.00 54.97 55.96 2knj s GLU 87 Cb -0.02 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 2knj s GLU 87 CO 0.03 -0.09 0.93 1.58 -0.54 0.00 0.00 175.26 177.17 2knj n HIS 88 N 3.20 -2.30 0.26 5.30 -0.00 -1.26 -4.89 115.22 115.52 2knj n HIS 88 Ca -0.16 0.87 0.14 0.00 -0.00 0.00 0.00 57.72 58.58 2knj n HIS 88 Cb 0.57 -4.47 0.59 0.00 -0.00 0.00 0.00 29.99 26.68 2knj n HIS 88 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2knj h ASP 89 N -1.38 0.00 0.00 0.26 3.58 -1.90 -3.50 116.42 113.48 2knj h ASP 89 Ca -0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2knj h ASP 89 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2knj h ASP 89 CO 0.45 0.09 0.00 1.57 -2.88 0.00 0.00 179.24 178.47