#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 -1.46 -4.17 1.57 -0.00 -1.26 -4.83 115.22 105.07 2knj n HIS 2 Ca 0.00 0.79 -0.35 0.00 0.46 0.00 0.00 57.72 58.62 2knj n HIS 2 Cb 0.00 -1.59 -0.05 0.00 -0.12 0.00 0.00 29.99 28.24 2knj n HIS 2 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2knj n GLN 3 N -1.77 -1.08 0.00 1.57 10.64 -1.26 -4.94 117.38 120.55 2knj n GLN 3 Ca 0.00 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 2knj n GLN 3 Cb 0.14 -3.42 0.00 0.00 -0.86 0.00 0.00 30.24 26.10 2knj n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2knj n GLU 4 N -4.69 3.66 0.28 2.61 2.13 -1.26 -4.90 120.64 118.48 2knj n GLU 4 Ca -0.25 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.74 2knj n GLU 4 Cb 0.65 0.00 0.82 0.00 0.27 0.00 0.00 31.44 33.18 2knj n GLU 4 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2knj h LEU 5 N 0.00 0.00 -2.27 4.31 8.10 -1.92 -1.94 115.31 121.60 2knj h LEU 5 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2knj h LEU 5 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2knj h LEU 5 CO 0.00 0.05 0.00 0.00 -4.11 0.00 0.00 178.44 174.38 2knj n THR 7 N 1.31 0.58 -1.51 0.00 -1.04 -0.73 -4.60 114.28 108.29 2knj n THR 7 Ca 0.21 0.37 -0.28 0.00 -2.04 0.00 0.00 64.05 62.31 2knj n THR 7 Cb 0.52 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2knj n THR 7 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2knj n LYS 8 N -3.24 2.89 0.00 -2.82 4.81 -1.25 -4.98 118.16 113.57 2knj n LYS 8 Ca -0.04 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.03 2knj n LYS 8 Cb 0.16 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.94 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2knj n GLY 9 N 1.46 1.37 0.25 3.14 0.00 -1.26 -1.88 105.19 108.27 2knj n GLY 9 Ca 0.53 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 4.56 0.00 0.38 1.61 2.03 -1.93 -2.23 116.42 120.83 2knj h ASP 10 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2knj h ASP 10 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2knj h ASP 10 CO 0.00 0.00 -0.23 0.44 -1.03 0.00 0.00 179.24 178.42 2knj h ASP 11 N 0.00 -0.56 -0.25 4.15 5.19 -1.88 0.44 116.42 123.51 2knj h ASP 11 Ca 0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2knj h ASP 11 Cb 0.69 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 2knj h ASP 11 CO 0.00 -0.36 0.02 0.00 -3.12 0.00 0.00 179.24 175.78 2knj h ALA 12 N 0.02 0.33 -0.25 3.45 0.00 -1.33 -2.29 119.26 119.19 2knj h ALA 12 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2knj h ALA 12 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2knj h ALA 12 CO 0.05 0.04 0.19 1.25 0.00 0.00 0.00 179.25 180.78 2knj h LEU 13 N 0.22 0.00 -0.02 0.00 5.85 -1.24 0.79 115.31 120.92 2knj h LEU 13 Ca 0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2knj h LEU 13 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2knj h LEU 13 CO 0.01 0.00 -0.17 0.58 -0.34 0.00 0.00 178.44 178.52 2knj h VAL 14 N 0.00 1.53 -0.20 1.05 2.07 0.20 0.49 116.25 121.39 2knj h VAL 14 Ca 0.12 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.89 2knj h VAL 14 Cb 0.50 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2knj h VAL 14 CO -0.00 0.48 -0.01 0.74 0.02 0.00 0.00 177.57 178.80 2knj h THR 15 N -0.51 0.85 -0.30 2.57 2.02 -0.77 0.09 112.91 116.86 2knj h THR 15 Ca -0.02 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.18 2knj h THR 15 Cb 0.88 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2knj h THR 15 CO 0.03 0.01 0.10 -0.33 0.37 0.00 0.00 175.52 175.70 2knj h GLU 16 N 0.05 0.22 -0.09 6.66 3.07 -0.93 -2.30 114.58 121.25 2knj h GLU 16 Ca 0.09 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2knj h GLU 16 Cb 0.12 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2knj h GLU 16 CO -0.17 0.14 -0.15 1.37 -1.40 0.00 0.00 179.01 178.80 2knj h LEU 17 N 0.22 0.14 -0.75 1.33 8.10 0.80 0.62 115.31 125.78 2knj h LEU 17 Ca 0.13 -0.03 -0.04 0.00 0.11 0.00 0.00 57.88 58.06 2knj h LEU 17 Cb 0.11 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2knj h LEU 17 CO -0.14 0.31 -0.18 1.05 -4.11 0.00 0.00 178.44 175.36 2knj h GLU 18 N 0.14 0.00 -0.02 0.17 4.11 -0.81 0.24 114.58 118.42 2knj h GLU 18 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2knj h GLU 18 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2knj h GLU 18 CO 0.02 0.18 -0.18 0.00 0.07 0.00 0.00 179.01 179.11 2knj n ILE 20 N 0.17 1.59 1.42 0.00 5.41 0.19 -4.19 119.36 123.96 2knj n ILE 20 Ca 0.14 -0.65 0.14 0.00 1.00 0.00 0.00 62.75 63.38 2knj n ILE 20 Cb 0.43 -1.40 0.53 0.00 -0.71 0.00 0.00 39.64 38.49 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 -3.27 1.07 0.00 0.38 1.85 0.79 -4.07 116.66 113.41 2knj n ARG 21 Ca -0.37 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 55.94 2knj n ARG 21 Cb 1.03 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 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 -0.50 0.35 0.00 2.89 -0.00 -1.24 -4.72 117.00 113.77 2knj n LEU 22 Ca 0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2knj n LEU 22 Cb 0.31 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2knj n LEU 22 CO 0.22 0.09 0.00 -1.14 -0.00 0.00 0.00 177.39 176.55 2knj n ARG 23 N 0.25 0.00 0.00 1.47 0.63 -1.26 -4.83 116.66 112.92 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 0.09 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 30.84 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 -1.18 0.00 0.00 5.15 5.41 -1.26 -4.66 119.36 122.82 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 11.12 0.00 -3.69 4.38 2.88 -1.26 -4.80 113.62 122.25 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 0.17 0.00 -1.46 -0.02 -1.26 -4.76 135.00 127.66 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 -0.57 0.24 -0.22 -0.52 -0.58 -1.26 -4.00 120.64 113.73 2knj n GLU 27 Ca 0.00 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.82 2knj n GLU 27 Cb 0.00 -1.50 0.08 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 -1.07 -0.26 0.17 2.62 5.66 -1.26 -0.11 114.28 120.03 2knj n THR 28 Ca 0.06 1.38 -0.13 0.00 -3.05 0.00 0.00 64.05 62.31 2knj n THR 28 Cb 0.04 -1.90 -0.08 0.00 -1.55 0.00 0.00 70.33 66.84 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 -0.39 0.11 1.09 -0.26 -1.83 -0.18 115.58 114.12 2knj h ASN 29 Ca 0.28 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 2knj h ASN 29 Cb 0.43 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2knj h ASN 29 CO -0.62 -0.02 -0.05 0.00 -1.06 0.00 0.00 177.43 175.68 2knj h ALA 30 N -0.32 -0.15 0.48 -0.83 0.00 -1.63 -1.50 119.26 115.32 2knj h ALA 30 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2knj h ALA 30 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2knj h ALA 30 CO 0.08 -0.44 -0.23 0.00 0.00 0.00 0.00 179.25 178.65 2knj h ALA 31 N 0.42 -1.14 -0.28 0.00 0.00 -0.56 -2.47 119.26 115.23 2knj h ALA 31 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 31 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2knj h ALA 31 CO 0.02 -1.09 0.08 0.74 0.00 0.00 0.00 179.25 179.01 2knj h PHE 32 N -0.67 0.39 -0.54 0.00 0.04 -1.15 0.12 116.94 115.13 2knj h PHE 32 Ca -0.07 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2knj h PHE 32 Cb 0.50 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2knj h PHE 32 CO 0.11 0.34 0.10 0.22 -0.60 0.00 0.00 178.31 178.48 2knj h ASP 33 N 0.39 0.85 1.47 2.17 3.58 -1.18 1.38 116.42 125.08 2knj h ASP 33 Ca 0.10 -0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.21 2knj h ASP 33 Cb 0.13 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2knj h ASP 33 CO -0.01 0.88 -0.38 -0.55 -2.88 0.00 0.00 179.24 176.30 2knj h ASN 34 N 0.77 0.00 0.45 2.28 7.08 -1.23 -0.18 115.58 124.75 2knj h ASN 34 Ca 0.16 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.36 2knj h ASN 34 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 2knj h ASN 34 CO 0.01 0.38 -0.22 0.00 -2.08 0.00 0.00 177.43 175.52 2knj h ALA 35 N 1.62 -0.60 0.00 4.14 0.00 0.41 -2.22 119.26 122.60 2knj h ALA 35 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2knj h ALA 35 Cb 1.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2knj h ALA 35 CO 0.05 -0.56 0.00 0.28 0.00 0.00 0.00 179.25 179.02 2knj h VAL 36 N -1.16 0.00 -0.36 0.00 2.07 0.17 0.50 116.25 117.47 2knj h VAL 36 Ca -0.06 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2knj h VAL 36 Cb 0.47 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2knj h VAL 36 CO 0.10 0.00 0.20 -0.61 0.02 0.00 0.00 177.57 177.29 2knj h GLN 37 N 0.00 0.49 0.45 1.57 4.15 -0.95 0.46 115.11 121.27 2knj h GLN 37 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2knj h GLN 37 Cb 0.16 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2knj h GLN 37 CO 0.00 0.39 -0.22 1.96 -1.93 0.00 0.00 178.83 179.03 2knj h GLN 38 N 0.46 -0.59 0.00 1.69 4.20 0.61 -3.04 115.11 118.44 2knj h GLN 38 Ca 0.13 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2knj h GLN 38 Cb 0.03 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2knj h GLN 38 CO -0.02 -0.39 0.00 1.47 -0.67 0.00 0.00 178.83 179.22 2knj n LEU 39 N -3.66 0.03 -4.21 1.46 -0.00 -0.76 -4.85 117.00 105.01 2knj n LEU 39 Ca -0.08 0.51 -0.30 0.00 -0.00 0.00 0.00 56.01 56.15 2knj n LEU 39 Cb 0.24 -0.51 -0.07 0.00 -0.00 0.00 0.00 43.42 43.08 2knj n LEU 39 CO 0.18 -0.33 -0.38 -0.46 -0.00 0.00 0.00 177.39 176.41 2knj n ASN 40 N -1.54 0.32 -0.68 1.45 0.23 0.16 -4.82 115.26 110.38 2knj n ASN 40 Ca 0.03 -1.18 0.11 0.00 -0.53 0.00 0.00 54.58 53.00 2knj n ASN 40 Cb 0.13 -2.09 0.33 0.00 -2.08 0.00 0.00 39.78 36.08 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2knj n LEU 42 N 0.57 0.00 -4.93 0.00 7.99 -1.26 -4.81 117.00 114.56 2knj n LEU 42 Ca 0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.89 2knj n LEU 42 Cb 0.39 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.66 2knj n LEU 42 CO 0.13 0.00 -0.03 0.54 -1.51 0.00 0.00 177.39 176.52 2knj s ASN 43 N 0.00 6.38 0.11 -1.43 6.03 -1.26 -4.99 114.94 119.77 2knj s ASN 43 Ca 0.00 0.33 0.25 0.00 -1.03 0.00 0.00 52.86 52.41 2knj s ASN 43 Cb 0.00 -1.98 0.96 0.00 -3.03 0.00 0.00 41.25 37.20 2knj s ASN 43 CO 0.00 0.02 1.78 0.54 -2.03 0.00 0.00 177.10 177.40 2knj n ARG 44 N -0.47 0.12 -0.30 3.55 3.00 -1.26 -3.13 116.66 118.17 2knj n ARG 44 Ca -0.05 0.17 -0.04 0.00 -0.01 0.00 0.00 57.85 57.92 2knj n ARG 44 Cb 0.53 -1.66 0.10 0.00 0.00 0.00 0.00 32.46 31.43 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 2.65 1.16 -0.37 7.54 0.00 -1.93 0.00 119.26 128.31 2knj h ALA 45 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2knj h ALA 45 Cb 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2knj h ALA 45 CO 0.00 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.11 2knj h ALA 47 N 1.07 0.04 0.00 0.00 0.00 -1.60 -1.24 119.26 117.53 2knj h ALA 47 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2knj h ALA 47 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2knj h ALA 47 CO -0.02 -0.49 0.00 1.88 0.00 0.00 0.00 179.25 180.62 2knj h TYR 48 N 0.00 0.00 -0.83 0.00 0.05 -0.82 -0.85 116.97 114.52 2knj h TYR 48 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2knj h TYR 48 Cb 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2knj h TYR 48 CO -0.12 0.00 0.46 -0.09 -1.05 0.00 0.00 178.16 177.37 2knj h ARG 49 N 0.00 1.15 0.22 4.88 1.12 0.11 -1.32 114.38 120.54 2knj h ARG 49 Ca 0.00 -0.13 0.01 0.00 -1.11 0.00 0.00 59.98 58.75 2knj h ARG 49 Cb 0.49 -0.23 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 2knj h ARG 49 CO 0.00 0.84 -0.28 -0.22 -3.11 0.00 0.00 179.97 177.20 2knj h LYS 50 N 1.16 -0.54 -1.01 0.20 3.11 -0.54 0.52 116.57 119.47 2knj h LYS 50 Ca 0.30 0.04 0.39 0.00 -2.81 0.00 0.00 60.65 58.57 2knj h LYS 50 Cb 0.01 0.12 -0.17 0.00 -1.00 0.00 0.00 32.23 31.20 2knj h LYS 50 CO -0.05 -0.36 0.56 1.98 -2.81 0.00 0.00 179.45 178.77 2knj h MET 51 N -0.56 0.09 0.10 1.90 4.05 -0.84 0.29 114.93 119.96 2knj h MET 51 Ca 0.00 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 2knj h MET 51 Cb 0.54 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 2knj h MET 51 CO -0.10 0.06 -1.36 0.00 0.23 0.00 0.00 176.91 175.75 2knj n ALA 53 N -2.99 0.00 -0.21 0.00 0.00 0.18 -4.89 120.51 112.59 2knj n ALA 53 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2knj n ALA 53 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.81 0.00 -3.68 0.00 5.66 0.77 -5.02 114.28 110.20 2knj n THR 54 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2knj n THR 54 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 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 -0.36 -0.65 0.00 1.09 2.20 -1.26 -4.74 114.94 111.22 2knj s ASN 55 Ca 0.00 1.11 0.00 0.00 -0.94 0.00 0.00 52.86 53.03 2knj s ASN 55 Cb 0.00 1.01 0.00 0.00 -2.00 0.00 0.00 41.25 40.26 2knj s ASN 55 CO 0.00 -0.21 0.00 0.59 -2.94 0.00 0.00 177.10 174.54 2knj n ASN 56 N 4.34 0.00 -0.22 3.54 4.13 -1.26 -4.85 115.26 120.94 2knj n ASN 56 Ca -0.22 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.14 2knj n ASN 56 Cb 0.56 0.00 0.38 0.00 -1.54 0.00 0.00 39.78 39.19 2knj n ASN 56 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2knj h LEU 57 N 0.00 0.62 -2.24 3.41 5.85 -1.89 -3.16 115.31 117.91 2knj h LEU 57 Ca 0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2knj h LEU 57 Cb 0.00 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2knj h LEU 57 CO 0.00 0.36 0.08 1.05 -0.34 0.00 0.00 178.44 179.59 2knj h GLU 58 N 0.68 0.00 -0.12 1.25 4.11 -1.94 -2.98 114.58 115.59 2knj h GLU 58 Ca 0.38 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.83 2knj h GLU 58 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2knj h GLU 58 CO -0.15 0.00 -0.26 0.37 0.07 0.00 0.00 179.01 179.05 2knj h GLN 59 N 0.00 -0.23 0.00 1.06 4.15 -1.92 -0.46 115.11 117.72 2knj h GLN 59 Ca 0.04 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2knj h GLN 59 Cb 0.21 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2knj h GLN 59 CO -0.00 -0.15 -0.16 0.00 -1.93 0.00 0.00 178.83 176.59 2knj h ALA 60 N -0.83 0.00 -0.92 3.38 0.00 -1.82 -2.81 119.26 116.26 2knj h ALA 60 Ca 0.02 -0.22 0.20 0.00 0.00 0.00 0.00 54.91 54.91 2knj h ALA 60 Cb 0.30 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.07 2knj h ALA 60 CO -0.23 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.99 2knj n MET 61 N -3.62 -0.08 0.12 0.00 0.00 -1.21 0.55 117.12 112.88 2knj n MET 61 Ca -0.02 1.43 -0.02 0.00 0.00 0.00 0.00 57.70 59.08 2knj n MET 61 Cb 0.08 -2.16 0.13 0.00 0.00 0.00 0.00 33.22 31.27 2knj n MET 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2knj h SER 62 N 0.00 0.00 -0.20 3.17 0.02 -1.22 0.15 113.55 115.47 2knj h SER 62 Ca 0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.31 2knj h SER 62 Cb 0.76 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2knj h SER 62 CO -0.94 0.68 -0.20 0.58 -1.14 0.00 0.00 176.83 175.81 2knj h VAL 63 N 0.00 1.26 0.00 2.27 2.07 -0.53 -3.38 116.25 117.94 2knj h VAL 63 Ca -0.01 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2knj h VAL 63 Cb 1.20 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2knj h VAL 63 CO 0.09 0.41 -0.00 1.88 0.02 0.00 0.00 177.57 179.97 2knj h TYR 64 N 0.57 -0.00 -3.93 1.57 -1.99 0.75 -3.47 116.97 110.47 2knj h TYR 64 Ca 0.09 -0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.36 2knj h TYR 64 Cb 0.66 0.00 0.11 0.00 2.00 0.00 0.00 36.73 39.49 2knj h TYR 64 CO 0.03 -0.00 0.32 -0.59 -0.00 0.00 0.00 178.16 177.91 2knj s PHE 65 N -1.47 2.49 0.49 4.88 -0.12 0.46 -5.08 117.98 119.63 2knj s PHE 65 Ca -0.00 0.43 0.06 0.00 -0.05 0.00 0.00 56.93 57.37 2knj s PHE 65 Cb 0.00 -3.49 0.03 0.00 -0.63 0.00 0.00 43.02 38.93 2knj s PHE 65 CO 0.00 -1.84 0.68 0.95 -0.05 0.00 0.00 175.22 174.95 2knj s THR 66 N -3.49 2.76 0.17 -4.49 -4.23 -1.26 -4.66 115.64 100.43 2knj s THR 66 Ca 0.65 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 60.11 2knj s THR 66 Cb -0.09 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.97 2knj s THR 66 CO 0.48 0.00 1.68 -0.55 -0.54 0.00 0.00 174.62 175.69 2knj h ASN 67 N 0.36 -0.30 0.41 3.99 7.08 -1.98 -1.31 115.58 123.84 2knj h ASN 67 Ca -0.39 0.11 -0.09 0.00 -3.08 0.00 0.00 56.30 52.85 2knj h ASN 67 Cb 1.29 0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 37.73 2knj h ASN 67 CO 0.46 -0.10 -0.42 1.05 -2.08 0.00 0.00 177.43 176.34 2knj h GLU 68 N 0.04 0.00 -0.50 4.14 4.11 -1.99 -1.40 114.58 118.98 2knj h GLU 68 Ca 0.20 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 2knj h GLU 68 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2knj h GLU 68 CO -0.39 0.42 0.27 0.37 0.07 0.00 0.00 179.01 179.75 2knj h GLN 69 N 0.00 0.70 0.00 1.06 -0.00 -1.65 -1.86 115.11 113.36 2knj h GLN 69 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2knj h GLN 69 Cb 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.08 2knj h GLN 69 CO 0.05 0.55 -0.13 0.97 0.00 0.00 0.00 178.83 180.27 2knj h ILE 70 N 0.66 0.00 -0.21 2.39 6.09 -1.03 -1.54 117.51 123.87 2knj h ILE 70 Ca 0.17 -0.65 0.03 0.00 -1.37 0.00 0.00 64.86 63.05 2knj h ILE 70 Cb 0.06 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 38.89 2knj h ILE 70 CO -0.03 0.00 -0.01 0.11 -3.07 0.00 0.00 178.15 175.16 2knj h LYS 71 N 0.00 0.06 0.07 2.19 1.79 -0.81 0.10 116.57 119.97 2knj h LYS 71 Ca 0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2knj h LYS 71 Cb 0.83 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2knj h LYS 71 CO 0.00 0.04 -0.08 0.93 -1.08 0.00 0.00 179.45 179.26 2knj h GLU 72 N 0.06 -0.17 0.00 3.15 5.08 -0.67 -2.06 114.58 119.97 2knj h GLU 72 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2knj h GLU 72 Cb 0.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2knj h GLU 72 CO -0.17 -0.11 0.00 0.82 -1.00 0.00 0.00 179.01 178.55 2knj h ILE 73 N -0.18 0.00 0.00 3.13 2.04 -1.20 0.31 117.51 121.61 2knj h ILE 73 Ca 0.01 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2knj h ILE 73 Cb 0.18 1.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2knj h ILE 73 CO -0.03 0.00 -0.49 -0.74 0.00 0.00 0.00 178.15 176.89 2knj h HIS 74 N 0.00 0.48 -0.07 1.37 2.76 -0.13 0.24 115.15 119.80 2knj h HIS 74 Ca 0.00 -0.27 -0.13 0.00 -2.20 0.00 0.00 60.37 57.77 2knj h HIS 74 Cb 0.44 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2knj h HIS 74 CO 0.00 1.08 -0.54 0.22 -1.30 0.00 0.00 177.93 177.39 2knj h ASP 75 N -0.25 0.23 0.13 3.26 3.58 -1.11 -1.26 116.42 121.00 2knj h ASP 75 Ca -0.06 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2knj h ASP 75 Cb 1.22 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2knj h ASP 75 CO 0.10 0.73 -0.06 0.00 -2.88 0.00 0.00 179.24 177.12 2knj h ALA 76 N 1.28 -0.18 0.00 -0.78 0.00 -0.30 -1.09 119.26 118.18 2knj h ALA 76 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2knj h ALA 76 Cb 1.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2knj h ALA 76 CO 0.08 -0.50 -0.87 0.00 0.00 0.00 0.00 179.25 177.96 2knj n ALA 77 N -2.27 3.14 -0.02 0.00 0.00 0.86 0.25 120.51 122.47 2knj n ALA 77 Ca -0.09 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 2knj n ALA 77 Cb 0.17 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 0.00 1.13 -0.01 0.00 2.02 -1.30 -3.33 112.91 111.41 2knj h THR 78 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2knj h THR 78 Cb 0.75 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2knj h THR 78 CO 0.00 0.63 -0.32 0.00 0.37 0.00 0.00 175.52 176.21 2knj n ALA 79 N -2.98 3.21 -3.71 6.16 0.00 -0.42 -4.89 120.51 117.88 2knj n ALA 79 Ca -0.24 -0.56 -0.25 0.00 0.00 0.00 0.00 53.44 52.39 2knj n ALA 79 Cb 0.81 -0.93 0.03 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 n ASP 81 N -2.92 -1.48 -0.00 0.00 -0.08 0.87 -4.97 116.55 107.95 2knj n ASP 81 Ca -0.21 -2.76 0.14 0.00 -1.51 0.00 0.00 54.79 50.45 2knj n ASP 81 Cb 0.65 0.42 0.57 0.00 2.34 0.00 0.00 41.12 45.10 2knj n ASP 81 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2knj n PRO 82 N 2.27 0.04 -0.21 -0.67 -0.02 -1.26 -2.84 135.00 132.32 2knj n PRO 82 Ca 0.21 -0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2knj n PRO 82 Cb 0.54 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.75 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 -1.47 2.55 -0.00 -0.52 -0.58 -1.26 -3.61 120.64 115.74 2knj n GLU 83 Ca 0.07 -2.35 -0.10 0.00 -0.42 0.00 0.00 57.16 54.37 2knj n GLU 83 Cb 0.33 -1.53 -0.14 0.00 -0.57 0.00 0.00 31.44 29.54 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2knj h ALA 84 N 4.52 0.66 -2.80 0.62 0.00 -1.90 -3.48 119.26 116.88 2knj h ALA 84 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 54.91 53.13 2knj h ALA 84 Cb 1.00 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2knj h ALA 84 CO 0.00 1.50 -0.52 0.72 0.00 0.00 0.00 179.25 180.95 2knj n HIS 85 N -3.14 -0.90 0.00 0.00 8.25 -1.24 -4.95 115.22 113.24 2knj n HIS 85 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2knj n HIS 85 Cb 1.03 -3.93 0.00 0.00 1.12 0.00 0.00 29.99 28.21 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 -3.84 0.00 -1.31 4.41 8.25 -1.26 -4.55 115.22 116.92 2knj n HIS 86 Ca -0.24 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.21 2knj n HIS 86 Cb 0.69 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.79 2knj n HIS 86 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2knj n GLU 87 N 0.00 0.00 0.00 -0.41 2.13 -1.24 -3.54 120.64 117.57 2knj n GLU 87 Ca 0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2knj n GLU 87 Cb 0.00 0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.91 2knj n GLU 87 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2knj n HIS 88 N 0.00 0.00 -2.62 4.31 -0.00 -1.26 -4.43 115.22 111.22 2knj n HIS 88 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 2knj n HIS 88 Cb 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.24 2knj n HIS 88 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2knj s ASP 89 N 0.00 4.68 0.00 0.26 1.11 -1.26 -5.05 116.67 116.40 2knj s ASP 89 Ca 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.45 2knj s ASP 89 Cb 0.00 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.72 2knj s ASP 89 CO 0.00 -1.61 0.20 1.41 1.18 0.00 0.00 175.17 176.35