#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 -0.08 1.57 -0.00 -1.26 -3.51 115.22 111.94 2knj n HIS 2 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 2knj n HIS 2 Cb 0.00 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.01 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 0.73 -3.78 1.57 7.50 -2.01 -3.39 115.11 115.72 2knj h GLN 3 Ca 0.00 -0.25 -0.45 0.00 0.50 0.00 0.00 58.65 58.45 2knj h GLN 3 Cb 0.00 -0.06 -0.38 0.00 0.05 0.00 0.00 27.48 27.09 2knj h GLN 3 CO 0.00 0.84 -0.77 -2.00 -1.50 0.00 0.00 178.83 175.39 2knj s GLU 4 N -4.73 0.75 0.00 1.46 2.12 -1.23 -0.91 118.70 116.15 2knj s GLU 4 Ca -0.09 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.29 2knj s GLU 4 Cb 0.14 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.45 2knj s GLU 4 CO 0.82 -0.30 0.57 1.28 -0.54 0.00 0.00 175.26 177.09 2knj n LEU 5 N 5.12 -0.23 0.00 2.70 4.77 -1.26 -0.37 117.00 127.73 2knj n LEU 5 Ca -0.08 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2knj n LEU 5 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2knj n LEU 5 CO 0.11 1.07 0.00 0.00 -1.33 0.00 0.00 177.39 177.24 2knj n THR 7 N 0.00 0.00 -3.52 0.00 -2.24 -1.26 -4.86 114.28 102.40 2knj n THR 7 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2knj n THR 7 Cb 0.00 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 2knj n THR 7 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2knj n LYS 8 N -0.60 0.89 -0.87 -0.78 4.81 -1.26 -5.08 118.16 115.27 2knj n LYS 8 Ca 0.00 -3.67 0.12 0.00 -0.87 0.00 0.00 58.31 53.89 2knj n LYS 8 Cb 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 35.03 33.18 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 2.28 -1.88 0.11 3.14 0.00 -1.26 -1.94 105.19 105.65 2knj n GLY 9 Ca 0.26 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.10 0.72 0.03 1.61 5.75 -0.09 -2.07 116.55 119.41 2knj n ASP 10 Ca 0.01 0.61 -0.10 0.00 -0.01 0.00 0.00 54.79 55.29 2knj n ASP 10 Cb 0.40 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.55 -0.24 -1.12 5.19 -1.85 0.49 116.42 118.35 2knj h ASP 11 Ca 0.00 0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 2knj h ASP 11 Cb 0.57 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 2knj h ASP 11 CO 0.00 -0.24 -0.15 0.00 -3.12 0.00 0.00 179.24 175.73 2knj h ALA 12 N 0.68 0.34 0.00 3.45 0.00 -1.21 -2.07 119.26 120.45 2knj h ALA 12 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2knj h ALA 12 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2knj h ALA 12 CO -0.21 0.23 -0.02 1.25 0.00 0.00 0.00 179.25 180.50 2knj h LEU 13 N 0.23 0.00 0.10 0.00 5.85 -1.12 0.37 115.31 120.74 2knj h LEU 13 Ca 0.05 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.41 2knj h LEU 13 Cb 0.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2knj h LEU 13 CO 0.04 0.02 -2.00 0.52 -0.34 0.00 0.00 178.44 176.68 2knj n VAL 14 N -3.18 1.75 -0.12 1.05 0.31 0.17 -0.57 118.33 117.73 2knj n VAL 14 Ca -0.02 -0.67 -0.10 0.00 -0.01 0.00 0.00 64.34 63.55 2knj n VAL 14 Cb 0.17 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 2knj n VAL 14 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2knj h THR 15 N 0.06 1.21 -0.69 2.52 1.35 -0.96 0.26 112.91 116.66 2knj h THR 15 Ca -0.42 -0.67 0.06 0.00 -0.55 0.00 0.00 66.41 64.83 2knj h THR 15 Cb 2.03 0.97 -0.06 0.00 -1.73 0.00 0.00 68.15 69.36 2knj h THR 15 CO 0.08 0.23 0.39 -0.33 -0.25 0.00 0.00 175.52 175.64 2knj h GLU 16 N 0.43 0.69 -0.57 4.72 5.08 -0.40 -2.25 114.58 122.29 2knj h GLU 16 Ca 0.12 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2knj h GLU 16 Cb 0.24 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2knj h GLU 16 CO -0.00 0.46 0.25 1.25 -1.00 0.00 0.00 179.01 179.96 2knj h LEU 17 N 0.71 0.31 -1.72 1.33 5.85 0.01 0.86 115.31 122.65 2knj h LEU 17 Ca 0.31 0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.22 2knj h LEU 17 Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2knj h LEU 17 CO -0.18 0.20 0.43 -0.08 -0.34 0.00 0.00 178.44 178.47 2knj h GLU 18 N 0.46 0.28 -0.01 1.25 4.57 0.04 0.27 114.58 121.45 2knj h GLU 18 Ca 0.27 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2knj h GLU 18 Cb 0.26 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2knj h GLU 18 CO -0.23 0.19 -0.59 0.00 -1.18 0.00 0.00 179.01 177.19 2knj n ILE 20 N -0.95 0.00 0.00 0.00 5.41 0.26 -4.46 119.36 119.62 2knj n ILE 20 Ca 0.07 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.60 2knj n ILE 20 Cb 0.37 0.88 0.00 0.00 -0.71 0.00 0.00 39.64 40.18 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 -0.15 0.00 -2.13 0.38 1.85 0.35 -4.70 116.66 112.27 2knj n ARG 21 Ca 0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.85 2knj n ARG 21 Cb 0.42 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.52 2knj n ARG 21 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2knj n LEU 22 N -0.68 -1.46 -1.49 2.89 4.77 -1.26 -4.82 117.00 114.95 2knj n LEU 22 Ca 0.00 0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.08 2knj n LEU 22 Cb 0.00 -1.84 0.34 0.00 -2.33 0.00 0.00 43.42 39.59 2knj n LEU 22 CO 0.00 -0.17 0.80 0.54 -1.33 0.00 0.00 177.39 177.24 2knj n ARG 23 N -2.16 3.91 0.00 3.23 3.00 -1.26 -4.84 116.66 118.54 2knj n ARG 23 Ca -0.13 -2.91 0.00 0.00 -0.01 0.00 0.00 57.85 54.79 2knj n ARG 23 Cb 0.58 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 31.08 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2knj n ILE 24 N 0.64 0.00 0.00 0.55 5.41 -1.26 -5.06 119.36 119.64 2knj n ILE 24 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2knj n ILE 24 Cb 0.96 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 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 -3.60 4.38 2.88 -1.26 -4.76 113.62 111.26 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 0.20 0.00 -1.46 -0.02 -1.26 -4.77 135.00 127.68 2knj n PRO 26 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 2knj n PRO 26 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 33.50 33.83 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 -0.60 0.26 -0.23 -0.52 -0.58 -1.26 -3.87 120.64 113.83 2knj n GLU 27 Ca 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2knj n GLU 27 Cb 0.00 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.19 -0.31 0.15 2.62 5.66 -1.26 -0.27 114.28 119.68 2knj n THR 28 Ca 0.07 1.44 -0.14 0.00 -3.05 0.00 0.00 64.05 62.37 2knj n THR 28 Cb 0.08 -1.92 -0.08 0.00 -1.55 0.00 0.00 70.33 66.87 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 -0.29 0.45 1.09 -0.26 -1.89 -0.29 115.58 114.40 2knj h ASN 29 Ca 0.23 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 2knj h ASN 29 Cb 0.39 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2knj h ASN 29 CO -0.62 -0.08 -0.22 0.00 -1.06 0.00 0.00 177.43 175.46 2knj h ALA 30 N 0.22 -0.61 0.40 -0.83 0.00 -1.57 -1.46 119.26 115.40 2knj h ALA 30 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2knj h ALA 30 Cb 0.37 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2knj h ALA 30 CO 0.06 -0.72 -0.33 0.00 0.00 0.00 0.00 179.25 178.26 2knj h ALA 31 N -0.45 -1.06 0.00 0.00 0.00 -0.60 -1.73 119.26 115.42 2knj h ALA 31 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2knj h ALA 31 Cb 0.57 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2knj h ALA 31 CO 0.10 -1.06 -0.03 0.74 0.00 0.00 0.00 179.25 179.00 2knj h PHE 32 N -0.71 0.00 0.87 0.00 0.04 -1.17 0.37 116.94 116.35 2knj h PHE 32 Ca -0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2knj h PHE 32 Cb 0.60 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.76 2knj h PHE 32 CO -0.14 0.03 -0.42 0.22 -0.60 0.00 0.00 178.31 177.40 2knj h ASP 33 N 0.00 -0.99 1.42 2.17 3.58 -0.38 0.53 116.42 122.76 2knj h ASP 33 Ca -0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2knj h ASP 33 Cb 0.19 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2knj h ASP 33 CO 0.00 -0.71 -0.15 -0.55 -2.88 0.00 0.00 179.24 174.96 2knj h ASN 34 N -1.18 0.00 0.62 2.28 -1.07 -1.11 -0.84 115.58 114.28 2knj h ASN 34 Ca -0.12 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.22 2knj h ASN 34 Cb 0.90 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.16 2knj h ASN 34 CO 0.20 0.15 -0.30 0.00 0.07 0.00 0.00 177.43 177.55 2knj h ALA 35 N 1.85 -0.89 0.00 4.14 0.00 -0.06 -2.10 119.26 122.20 2knj h ALA 35 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 35 Cb 0.90 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2knj h ALA 35 CO 0.02 -0.83 0.00 0.28 0.00 0.00 0.00 179.25 178.72 2knj n VAL 36 N -5.09 0.93 -0.04 0.00 0.31 0.18 -0.35 118.33 114.28 2knj n VAL 36 Ca -0.10 0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.35 2knj n VAL 36 Cb 0.33 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 2knj n VAL 36 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2knj h GLN 37 N 0.00 0.22 0.38 5.55 4.20 -1.03 0.39 115.11 124.81 2knj h GLN 37 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2knj h GLN 37 Cb 0.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2knj h GLN 37 CO 0.00 0.37 -0.33 1.96 -0.67 0.00 0.00 178.83 180.15 2knj h GLN 38 N 0.03 -0.67 0.00 1.46 4.20 0.02 -2.64 115.11 117.51 2knj h GLN 38 Ca 0.04 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2knj h GLN 38 Cb 0.24 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2knj h GLN 38 CO -0.00 -0.45 -0.05 1.37 -0.67 0.00 0.00 178.83 179.03 2knj h LEU 39 N -0.70 0.00 -2.83 1.46 -0.00 -1.56 -3.46 115.31 108.22 2knj h LEU 39 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.46 2knj h LEU 39 Cb 0.59 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.37 2knj h LEU 39 CO -0.02 0.05 -0.90 -3.20 -0.00 0.00 0.00 178.44 174.37 2knj n ASN 40 N -4.34 -5.32 -1.32 0.17 5.15 0.13 -4.89 115.26 104.84 2knj n ASN 40 Ca -0.03 -0.90 0.11 0.00 -0.60 0.00 0.00 54.58 53.16 2knj n ASN 40 Cb 0.13 -4.02 0.31 0.00 -0.53 0.00 0.00 39.78 35.67 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 1.43 0.00 -4.86 0.00 0.00 -1.26 -4.64 117.00 107.67 2knj n LEU 42 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 56.01 2knj n LEU 42 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.02 2knj n LEU 42 CO 0.17 0.00 -0.14 0.54 0.00 0.00 0.00 177.39 177.96 2knj s ASN 43 N -0.07 5.78 0.00 1.96 6.03 -1.26 -5.01 114.94 122.38 2knj s ASN 43 Ca 0.00 -0.11 0.27 0.00 -1.03 0.00 0.00 52.86 52.00 2knj s ASN 43 Cb 0.00 -1.57 1.17 0.00 -3.03 0.00 0.00 41.25 37.83 2knj s ASN 43 CO 0.00 -0.01 1.88 0.54 -2.03 0.00 0.00 177.10 177.48 2knj n ARG 44 N -0.98 0.00 -0.22 3.55 3.00 -1.26 -2.54 116.66 118.20 2knj n ARG 44 Ca -0.08 0.03 -0.09 0.00 -0.01 0.00 0.00 57.85 57.70 2knj n ARG 44 Cb 0.57 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 31.56 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 2.95 0.85 -0.11 7.54 0.00 -1.90 -2.06 119.26 126.53 2knj h ALA 45 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2knj h ALA 45 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2knj h ALA 45 CO 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.73 2knj h ALA 47 N 1.65 -0.11 -0.28 0.00 0.00 -1.51 -1.67 119.26 117.34 2knj h ALA 47 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2knj h ALA 47 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2knj h ALA 47 CO 0.03 -0.43 -0.02 1.88 0.00 0.00 0.00 179.25 180.71 2knj h TYR 48 N -0.37 0.45 -0.35 0.00 0.05 -1.08 -0.01 116.97 115.67 2knj h TYR 48 Ca -0.01 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.80 2knj h TYR 48 Cb 0.32 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.85 2knj h TYR 48 CO 0.01 0.47 -0.13 -0.09 -1.05 0.00 0.00 178.16 177.37 2knj h ARG 49 N 0.42 -0.06 0.00 4.88 2.43 0.18 0.38 114.38 122.60 2knj h ARG 49 Ca 0.09 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 2knj h ARG 49 Cb 0.31 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2knj h ARG 49 CO 0.01 -0.04 -0.94 -0.22 -1.51 0.00 0.00 179.97 177.27 2knj h LYS 50 N -0.06 0.00 0.05 0.20 1.63 -1.04 -1.68 116.57 115.66 2knj h LYS 50 Ca 0.17 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2knj h LYS 50 Cb 0.33 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2knj h LYS 50 CO -0.39 0.75 -0.17 1.98 -3.45 0.00 0.00 179.45 178.17 2knj h MET 51 N 0.00 -0.30 -0.17 1.90 4.05 -0.51 0.63 114.93 120.53 2knj h MET 51 Ca -0.04 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 2knj h MET 51 Cb 1.66 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.52 2knj h MET 51 CO 0.10 -0.20 -0.36 0.00 0.23 0.00 0.00 176.91 176.68 2knj h ALA 53 N 1.31 -0.00 0.00 0.00 0.00 -1.05 -3.46 119.26 116.06 2knj h ALA 53 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2knj h ALA 53 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2knj h ALA 53 CO 0.06 -0.44 0.00 -2.37 0.00 0.00 0.00 179.25 176.50 2knj n THR 54 N -5.03 0.00 0.00 0.00 5.66 0.10 -5.08 114.28 109.93 2knj n THR 54 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2knj n THR 54 Cb 0.09 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 -2.59 0.00 0.00 1.09 3.02 0.18 -4.82 115.26 112.14 2knj n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2knj n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2knj n ASN 56 N 0.00 -0.04 0.29 6.41 5.15 -1.26 -4.27 115.26 121.54 2knj n ASN 56 Ca 0.00 0.05 0.15 0.00 -0.60 0.00 0.00 54.58 54.18 2knj n ASN 56 Cb 0.00 0.12 0.90 0.00 -0.53 0.00 0.00 39.78 40.27 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 -2.34 1.20 8.10 -1.87 -3.14 115.31 117.25 2knj h LEU 57 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 2knj h LEU 57 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2knj h LEU 57 CO 0.00 0.03 0.19 1.05 -4.11 0.00 0.00 178.44 175.60 2knj h GLU 58 N 0.00 0.00 -0.04 0.17 -0.00 -1.92 -2.51 114.58 110.27 2knj h GLU 58 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 2knj h GLU 58 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 2knj h GLU 58 CO 0.00 0.00 -0.06 1.96 -0.00 0.00 0.00 179.01 180.91 2knj h GLN 59 N 0.00 -0.04 0.00 1.06 4.20 -1.92 -1.63 115.11 116.78 2knj h GLN 59 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2knj h GLN 59 Cb 0.44 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2knj h GLN 59 CO -0.00 -0.03 -0.24 0.00 -0.67 0.00 0.00 178.83 177.89 2knj h ALA 60 N -1.16 0.00 -0.99 3.87 0.00 -1.74 -2.75 119.26 116.49 2knj h ALA 60 Ca 0.01 -0.27 0.27 0.00 0.00 0.00 0.00 54.91 54.92 2knj h ALA 60 Cb 0.07 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 17.92 2knj h ALA 60 CO -0.07 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.45 2knj h MET 61 N -0.85 0.01 0.00 0.00 -0.00 -1.61 0.44 114.93 112.92 2knj h MET 61 Ca 0.00 -0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 2knj h MET 61 Cb 0.24 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.82 2knj h MET 61 CO 0.00 0.01 -0.86 1.03 -0.00 0.00 0.00 176.91 177.08 2knj h SER 62 N 0.01 0.12 -0.45 -0.10 0.87 -1.42 0.64 113.55 113.22 2knj h SER 62 Ca 0.59 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 61.01 2knj h SER 62 Cb 1.21 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2knj h SER 62 CO -0.93 0.92 0.12 0.58 -0.53 0.00 0.00 176.83 177.00 2knj h VAL 63 N 0.05 1.22 0.00 2.23 2.07 -0.61 -3.37 116.25 117.83 2knj h VAL 63 Ca -0.03 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2knj h VAL 63 Cb 1.50 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2knj h VAL 63 CO 0.12 0.29 0.00 -1.22 0.02 0.00 0.00 177.57 176.78 2knj n TYR 64 N -4.28 0.00 -2.24 1.57 4.02 0.13 -4.94 117.16 111.42 2knj n TYR 64 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.67 2knj n TYR 64 Cb 0.22 -0.45 0.09 0.00 -0.02 0.00 0.00 39.34 39.17 2knj n TYR 64 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2knj s PHE 65 N -1.30 2.57 0.30 -0.72 -0.12 0.18 -5.09 117.98 113.80 2knj s PHE 65 Ca 0.00 0.31 0.04 0.00 -0.05 0.00 0.00 56.93 57.23 2knj s PHE 65 Cb 0.00 -3.26 0.05 0.00 -0.63 0.00 0.00 43.02 39.18 2knj s PHE 65 CO 0.00 -1.58 0.41 0.25 -0.05 0.00 0.00 175.22 174.25 2knj n THR 66 N -2.99 0.00 0.42 -4.49 -2.24 -1.26 -4.66 114.28 99.06 2knj n THR 66 Ca 0.10 -0.90 -0.17 0.00 -2.27 0.00 0.00 64.05 60.80 2knj n THR 66 Cb 0.60 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 2knj n THR 66 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2knj h ASN 67 N -0.02 -0.92 0.02 3.42 4.21 -1.99 -2.63 115.58 117.67 2knj h ASN 67 Ca -0.14 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2knj h ASN 67 Cb 0.60 0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2knj h ASN 67 CO 0.19 -0.56 -0.02 1.05 -1.29 0.00 0.00 177.43 176.80 2knj h GLU 68 N -1.27 0.00 -0.78 0.81 -0.00 -1.99 -0.83 114.58 110.52 2knj h GLU 68 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2knj h GLU 68 Cb 0.84 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.55 2knj h GLU 68 CO 0.18 0.02 0.49 0.37 -0.00 0.00 0.00 179.01 180.07 2knj h GLN 69 N 0.00 1.04 0.00 1.06 -0.00 -1.91 -0.46 115.11 114.84 2knj h GLN 69 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2knj h GLN 69 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.28 2knj h GLN 69 CO 0.00 0.71 -0.57 1.51 0.00 0.00 0.00 178.83 180.48 2knj n ILE 70 N -4.52 0.38 0.00 2.39 0.13 -0.52 -1.86 119.36 115.36 2knj n ILE 70 Ca 0.08 -0.28 -0.11 0.00 -1.10 0.00 0.00 62.75 61.34 2knj n ILE 70 Cb 0.03 -0.17 -0.06 0.00 -0.84 0.00 0.00 39.64 38.61 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 0.11 0.03 9.51 1.79 -0.72 0.83 116.57 128.11 2knj h LYS 71 Ca 0.00 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2knj h LYS 71 Cb 0.74 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2knj h LYS 71 CO 0.00 0.09 -0.23 0.93 -1.08 0.00 0.00 179.45 179.15 2knj h GLU 72 N 0.10 -0.30 -0.49 3.15 5.08 -0.92 -2.23 114.58 118.96 2knj h GLU 72 Ca 0.03 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2knj h GLU 72 Cb 0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2knj h GLU 72 CO -0.01 -0.20 0.35 0.82 -1.00 0.00 0.00 179.01 178.97 2knj h ILE 73 N -0.31 0.76 0.81 3.13 2.04 -1.33 1.21 117.51 123.82 2knj h ILE 73 Ca 0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2knj h ILE 73 Cb 0.33 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2knj h ILE 73 CO -0.14 0.00 -0.42 -0.74 0.00 0.00 0.00 178.15 176.85 2knj h HIS 74 N 0.02 -1.10 0.00 1.37 2.76 -0.25 0.71 115.15 118.66 2knj h HIS 74 Ca 0.23 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.23 2knj h HIS 74 Cb 0.91 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 2knj h HIS 74 CO -0.00 -0.66 -0.74 -0.44 -1.30 0.00 0.00 177.93 174.78 2knj h ASP 75 N -1.13 0.00 -0.63 3.26 5.19 -0.84 -1.79 116.42 120.48 2knj h ASP 75 Ca -0.11 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 2knj h ASP 75 Cb 0.88 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 2knj h ASP 75 CO 0.16 0.74 0.15 0.00 -3.12 0.00 0.00 179.24 177.18 2knj h ALA 76 N 1.26 1.03 0.00 3.45 0.00 0.16 0.69 119.26 125.85 2knj h ALA 76 Ca -0.01 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2knj h ALA 76 Cb 1.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2knj h ALA 76 CO 0.10 0.63 -1.73 0.00 0.00 0.00 0.00 179.25 178.25 2knj n ALA 77 N -2.46 1.97 -0.04 0.00 0.00 0.25 -0.28 120.51 119.95 2knj n ALA 77 Ca 0.05 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.63 2knj n ALA 77 Cb 0.25 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 1.55 -0.01 0.00 2.02 -1.32 -3.30 112.91 111.85 2knj h THR 78 Ca -0.23 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.28 2knj h THR 78 Cb 1.65 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 2knj h THR 78 CO 0.04 0.44 -0.37 0.00 0.37 0.00 0.00 175.52 176.00 2knj n ALA 79 N -2.46 3.32 -3.75 6.16 0.00 0.23 -4.55 120.51 119.46 2knj n ALA 79 Ca -0.09 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 2knj n ALA 79 Cb 0.37 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.03 1.99 -0.29 0.00 2.03 -0.02 -4.88 116.55 112.35 2knj n ASP 81 Ca -0.26 -3.05 0.09 0.00 0.52 0.00 0.00 54.79 52.09 2knj n ASP 81 Cb 0.66 -0.66 0.41 0.00 -0.72 0.00 0.00 41.12 40.81 2knj n ASP 81 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2knj n PRO 82 N 1.36 1.38 -1.10 -0.67 -0.02 -1.26 -2.64 135.00 132.05 2knj n PRO 82 Ca 0.26 -0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 60.91 2knj n PRO 82 Cb 0.45 -1.32 0.05 0.00 -0.02 0.00 0.00 33.50 32.67 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 -0.18 2.20 -1.75 -0.52 -0.58 -1.26 -4.82 120.64 113.73 2knj n GLU 83 Ca 0.14 -2.33 -0.42 0.00 -0.42 0.00 0.00 57.16 54.13 2knj n GLU 83 Cb 0.19 -1.92 -0.01 0.00 -0.57 0.00 0.00 31.44 29.14 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 -0.19 2.29 -2.75 0.62 0.00 -1.08 -4.95 120.51 114.45 2knj n ALA 84 Ca 0.45 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 54.14 2knj n ALA 84 Cb 0.61 -2.42 0.03 0.00 0.00 0.00 0.00 19.45 17.67 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 1.25 0.46 -1.52 0.00 -0.00 -1.26 -4.87 115.22 109.27 2knj n HIS 85 Ca 0.05 -2.83 0.00 0.00 -0.00 0.00 0.00 57.72 54.94 2knj n HIS 85 Cb 0.37 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 2knj n HIS 85 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2knj n HIS 86 N -0.06 0.00 -1.52 1.57 -0.00 -1.26 -5.03 115.22 108.92 2knj n HIS 86 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.53 2knj n HIS 86 Cb 0.80 0.15 -0.14 0.00 -0.00 0.00 0.00 29.99 30.79 2knj n HIS 86 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2knj n GLU 87 N 0.00 0.28 -3.27 1.57 4.71 -1.26 -0.09 120.64 122.58 2knj n GLU 87 Ca 0.00 -0.15 -0.24 0.00 -0.01 0.00 0.00 57.16 56.76 2knj n GLU 87 Cb 0.36 -2.07 0.03 0.00 -1.01 0.00 0.00 31.44 28.75 2knj n GLU 87 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2knj n HIS 88 N 11.34 -2.04 0.00 -0.32 -0.00 -1.26 -4.29 115.22 118.63 2knj n HIS 88 Ca 0.58 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.90 2knj n HIS 88 Cb 0.23 -4.04 0.00 0.00 -0.00 0.00 0.00 29.99 26.18 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 -2.54 0.00 0.00 0.26 -0.08 0.87 -5.21 116.55 109.85 2knj n ASP 89 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2knj n ASP 89 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 2knj n ASP 89 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89