#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oj3 n GLU 5 N 0.00 2.63 -2.39 -0.52 0.00 -1.26 -4.99 120.64 114.11 2oj3 n GLU 5 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 57.16 57.79 2oj3 n GLU 5 Cb 0.00 -2.66 -0.00 0.00 0.00 0.00 0.00 31.44 28.77 2oj3 n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2oj3 s THR 6 N -0.67 4.81 0.48 3.84 2.01 -1.26 -5.08 115.64 119.77 2oj3 s THR 6 Ca 0.58 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 2oj3 s THR 6 Cb -0.50 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2oj3 s THR 6 CO 0.58 -0.91 0.75 -0.13 -0.69 0.00 0.00 174.62 174.22 2oj3 s ARG 7 N -4.75 3.20 0.41 4.92 1.81 -1.26 -4.92 118.95 118.37 2oj3 s ARG 7 Ca 0.51 -0.16 -0.25 0.00 -1.72 0.00 0.00 55.73 54.11 2oj3 s ARG 7 Cb -0.11 -2.45 -0.10 0.00 -0.45 0.00 0.00 34.95 31.84 2oj3 s ARG 7 CO 0.46 -0.31 1.13 -2.30 -0.68 0.00 0.00 175.30 173.59 2oj3 n PRO 8 N -2.22 1.60 -3.74 3.54 -0.02 -1.26 -4.78 135.00 128.12 2oj3 n PRO 8 Ca 0.01 0.57 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2oj3 n PRO 8 Cb 0.57 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 2oj3 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2oj3 s ASN 9 N -0.64 -0.22 0.57 2.55 3.84 -1.26 -5.02 114.94 114.76 2oj3 s ASN 9 Ca 0.62 0.11 0.27 0.00 0.21 0.00 0.00 52.86 54.07 2oj3 s ASN 9 Cb -0.54 0.33 1.69 0.00 -0.55 0.00 0.00 41.25 42.18 2oj3 s ASN 9 CO 0.57 -0.48 2.22 0.45 -2.79 0.00 0.00 177.10 177.08 2oj3 h HIS 10 N 3.74 0.00 -3.23 0.43 3.86 -1.91 -3.42 115.15 114.62 2oj3 h HIS 10 Ca -0.30 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.27 2oj3 h HIS 10 Cb 1.18 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.49 2oj3 h HIS 10 CO 0.51 0.00 -0.58 0.99 0.86 0.00 0.00 177.93 179.71 2oj3 s THR 11 N -4.73 4.63 0.04 2.45 2.01 -1.26 -1.24 115.64 117.54 2oj3 s THR 11 Ca -0.05 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2oj3 s THR 11 Cb 0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2oj3 s THR 11 CO 0.58 0.52 0.10 0.27 -0.69 0.00 0.00 174.62 175.39 2oj3 s ILE 12 N -0.10 4.74 -0.22 1.82 -4.36 -0.66 -1.14 121.20 121.29 2oj3 s ILE 12 Ca 0.06 -0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 59.85 2oj3 s ILE 12 Cb -0.12 -3.24 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 2oj3 s ILE 12 CO 0.01 0.22 -0.05 -0.47 0.24 0.00 0.00 174.94 174.90 2oj3 s TYR 13 N -1.32 2.95 -0.08 1.37 6.14 0.05 -2.10 117.35 124.36 2oj3 s TYR 13 Ca 0.27 -0.96 0.00 0.00 0.64 0.00 0.00 57.07 57.03 2oj3 s TYR 13 Cb -0.12 -2.10 -0.03 0.00 0.42 0.00 0.00 41.96 40.13 2oj3 s TYR 13 CO 0.19 -0.55 -0.06 0.42 0.64 0.00 0.00 175.55 176.20 2oj3 s ILE 14 N 1.46 3.81 0.32 3.14 1.01 0.73 -1.57 121.20 130.10 2oj3 s ILE 14 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2oj3 s ILE 14 Cb -0.14 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2oj3 s ILE 14 CO -0.04 0.59 0.37 0.54 0.00 0.00 0.00 174.94 176.41 2oj3 s ASN 15 N -0.76 1.04 -0.54 3.58 4.22 -0.76 0.42 114.94 122.14 2oj3 s ASN 15 Ca 0.12 -1.54 0.00 0.00 -2.14 0.00 0.00 52.86 49.30 2oj3 s ASN 15 Cb -0.11 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.01 2oj3 s ASN 15 CO 0.02 -1.16 0.00 -3.20 -2.04 0.00 0.00 177.10 170.72 2oj3 n ASN 16 N -1.28 -2.70 -4.78 3.54 4.05 -0.54 -2.06 115.26 111.49 2oj3 n ASN 16 Ca 0.03 0.03 -0.39 0.00 0.45 0.00 0.00 54.58 54.70 2oj3 n ASN 16 Cb 0.62 -1.76 -0.06 0.00 1.23 0.00 0.00 39.78 39.82 2oj3 n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2oj3 s LEU 17 N -1.63 4.52 -0.31 1.20 1.43 -0.77 -4.60 118.68 118.50 2oj3 s LEU 17 Ca 0.00 1.37 -0.36 0.00 -1.03 0.00 0.00 54.13 54.11 2oj3 s LEU 17 Cb 0.00 -3.05 -0.12 0.00 0.03 0.00 0.00 46.19 43.06 2oj3 s LEU 17 CO 0.00 0.20 2.11 -3.20 0.23 0.00 0.00 176.35 175.68 2oj3 n ASN 18 N 2.00 2.30 0.14 2.29 2.85 -1.26 -4.36 115.26 119.21 2oj3 n ASN 18 Ca -0.08 0.55 0.12 0.00 -0.11 0.00 0.00 54.58 55.06 2oj3 n ASN 18 Cb 0.50 -1.26 0.51 0.00 1.24 0.00 0.00 39.78 40.77 2oj3 n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2oj3 n GLU 19 N 7.72 0.20 0.00 1.20 1.02 -1.26 -3.11 120.64 126.41 2oj3 n GLU 19 Ca 0.38 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 58.09 2oj3 n GLU 19 Cb 0.22 -1.90 0.72 0.00 -0.02 0.00 0.00 31.44 30.47 2oj3 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2oj3 n LYS 20 N -2.27 0.58 -3.23 3.49 4.76 -1.26 -4.79 118.16 115.43 2oj3 n LYS 20 Ca 0.02 0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.09 2oj3 n LYS 20 Cb 0.22 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 2oj3 n LYS 20 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2oj3 s ILE 21 N -2.32 5.02 0.51 -0.18 -1.09 -1.18 -5.05 121.20 116.90 2oj3 s ILE 21 Ca 0.32 1.16 -0.21 0.00 -2.23 0.00 0.00 60.65 59.69 2oj3 s ILE 21 Cb 0.18 -3.90 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 2oj3 s ILE 21 CO 0.36 0.38 1.18 -0.54 -1.23 0.00 0.00 174.94 175.09 2oj3 s LYS 22 N 0.12 3.50 0.20 2.79 1.02 -1.26 -4.82 119.74 121.29 2oj3 s LYS 22 Ca 0.30 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 57.90 2oj3 s LYS 22 Cb -0.17 -2.22 0.20 0.00 -0.52 0.00 0.00 37.83 35.11 2oj3 s LYS 22 CO 0.15 -0.76 1.62 -0.22 -0.92 0.00 0.00 175.35 175.21 2oj3 h LYS 23 N 1.62 -0.05 -0.74 1.68 3.64 -1.96 -0.89 116.57 119.87 2oj3 h LYS 23 Ca -0.50 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 2oj3 h LYS 23 Cb 1.26 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 2oj3 h LYS 23 CO 0.58 -0.03 0.22 0.22 -2.27 0.00 0.00 179.45 178.16 2oj3 h ASP 24 N -0.05 1.09 -0.35 4.20 3.58 -1.99 -1.70 116.42 121.20 2oj3 h ASP 24 Ca 0.28 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 2oj3 h ASP 24 Cb 0.49 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2oj3 h ASP 24 CO -0.64 1.02 -0.32 -0.08 -2.88 0.00 0.00 179.24 176.34 2oj3 h GLU 25 N 1.11 0.83 -0.68 0.28 4.81 -1.84 -2.79 114.58 116.29 2oj3 h GLU 25 Ca 0.24 -0.43 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2oj3 h GLU 25 Cb 0.33 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2oj3 h GLU 25 CO -0.00 1.06 0.42 1.25 -0.73 0.00 0.00 179.01 181.01 2oj3 h LEU 26 N 0.61 0.68 -0.70 1.64 5.85 -0.96 0.29 115.31 122.72 2oj3 h LEU 26 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2oj3 h LEU 26 Cb 0.90 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2oj3 h LEU 26 CO 0.08 0.46 0.24 0.11 -0.34 0.00 0.00 178.44 178.99 2oj3 h LYS 27 N 0.81 1.07 -0.21 1.25 1.57 -1.27 -0.98 116.57 118.81 2oj3 h LYS 27 Ca 0.28 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2oj3 h LYS 27 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2oj3 h LYS 27 CO -0.12 0.91 -0.08 0.87 -0.57 0.00 0.00 179.45 180.46 2oj3 h LYS 28 N 1.01 0.42 -0.18 3.15 1.79 -1.16 -2.28 116.57 119.32 2oj3 h LYS 28 Ca 0.23 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2oj3 h LYS 28 Cb 0.27 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2oj3 h LYS 28 CO -0.01 0.69 0.11 0.77 -1.08 0.00 0.00 179.45 179.93 2oj3 h SER 29 N 0.13 0.22 -1.00 0.86 0.02 -0.85 -1.57 113.55 111.36 2oj3 h SER 29 Ca 0.05 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2oj3 h SER 29 Cb 0.55 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 2oj3 h SER 29 CO 0.03 0.21 0.65 -0.07 -1.14 0.00 0.00 176.83 176.51 2oj3 h LEU 30 N 0.21 1.07 -1.13 5.07 3.38 -1.19 -0.09 115.31 122.62 2oj3 h LEU 30 Ca 0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2oj3 h LEU 30 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2oj3 h LEU 30 CO -0.01 0.72 0.03 -0.74 0.09 0.00 0.00 178.44 178.53 2oj3 h HIS 31 N 1.23 0.66 -0.09 1.13 2.76 -1.12 -1.08 115.15 118.65 2oj3 h HIS 31 Ca 0.41 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.54 2oj3 h HIS 31 Cb 0.06 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2oj3 h HIS 31 CO -0.00 0.62 -0.05 0.00 -1.30 0.00 0.00 177.93 177.19 2oj3 h ALA 32 N 1.43 0.03 0.00 5.26 0.00 0.00 -1.68 119.26 124.29 2oj3 h ALA 32 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2oj3 h ALA 32 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2oj3 h ALA 32 CO 0.01 -0.52 -0.55 -0.84 0.00 0.00 0.00 179.25 177.36 2oj3 h ILE 33 N -0.05 0.18 0.00 0.00 3.07 -1.27 -3.38 117.51 116.07 2oj3 h ILE 33 Ca 0.05 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.18 2oj3 h ILE 33 Cb 0.13 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2oj3 h ILE 33 CO -0.12 0.10 -1.50 0.49 -1.05 0.00 0.00 178.15 176.07 2oj3 n PHE 34 N -2.96 0.10 -0.37 0.16 3.72 -0.43 -4.55 117.46 113.13 2oj3 n PHE 34 Ca 0.01 0.03 0.02 0.00 -0.05 0.00 0.00 57.45 57.46 2oj3 n PHE 34 Cb 0.60 -0.38 0.17 0.00 -0.94 0.00 0.00 39.48 38.93 2oj3 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2oj3 h SER 35 N 0.00 1.05 0.00 4.37 4.64 -1.48 -2.38 113.55 119.75 2oj3 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oj3 h SER 35 Cb 0.82 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2oj3 h SER 35 CO 0.00 0.68 0.03 -2.11 -0.87 0.00 0.00 176.83 174.56 2oj3 n ARG 36 N -4.48 0.00 0.03 4.77 -4.01 -1.26 -1.06 116.66 110.65 2oj3 n ARG 36 Ca 0.15 0.42 0.13 0.00 -1.04 0.00 0.00 57.85 57.51 2oj3 n ARG 36 Cb 0.16 -1.53 0.36 0.00 -3.04 0.00 0.00 32.46 28.41 2oj3 n ARG 36 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2oj3 n PHE 37 N -1.42 0.27 0.00 2.89 3.72 -0.89 -5.02 117.46 117.00 2oj3 n PHE 37 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2oj3 n PHE 37 Cb 0.03 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 2oj3 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oj3 n GLY 38 N 1.43 2.88 3.67 1.37 0.00 -0.22 -4.33 105.19 109.99 2oj3 n GLY 38 Ca 0.05 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2oj3 n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2oj3 n GLN 39 N -1.92 1.96 -4.30 1.61 7.27 -1.26 -4.72 117.38 116.01 2oj3 n GLN 39 Ca 0.00 0.69 -0.34 0.00 0.07 0.00 0.00 57.00 57.42 2oj3 n GLN 39 Cb 0.00 -2.24 -0.15 0.00 2.41 0.00 0.00 30.24 30.26 2oj3 n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2oj3 s ILE 40 N -0.91 2.92 0.13 1.69 1.01 -1.26 -1.79 121.20 122.98 2oj3 s ILE 40 Ca 0.58 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.62 2oj3 s ILE 40 Cb -0.61 -2.27 -0.20 0.00 0.01 0.00 0.00 42.46 39.39 2oj3 s ILE 40 CO 0.60 0.49 1.29 -0.07 0.00 0.00 0.00 174.94 177.25 2oj3 h LEU 41 N 7.54 0.05 -7.08 2.97 3.38 -0.71 -3.48 115.31 117.98 2oj3 h LEU 41 Ca -0.36 -0.06 0.35 0.00 0.09 0.00 0.00 57.88 57.90 2oj3 h LEU 41 Cb 1.18 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2oj3 h LEU 41 CO 0.59 1.01 0.91 -0.62 0.09 0.00 0.00 178.44 180.43 2oj3 s ASP 42 N -6.77 -0.04 -0.06 -0.43 2.15 -1.20 -5.02 116.67 105.29 2oj3 s ASP 42 Ca 0.00 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.92 2oj3 s ASP 42 Cb 0.10 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.82 2oj3 s ASP 42 CO 0.82 -0.14 -0.01 -0.63 -0.17 0.00 0.00 175.17 175.05 2oj3 s ILE 43 N -2.21 0.40 -0.24 4.11 1.01 -1.26 -0.25 121.20 122.75 2oj3 s ILE 43 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 2oj3 s ILE 43 Cb 0.05 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 2oj3 s ILE 43 CO -0.05 0.25 0.00 -0.76 0.00 0.00 0.00 174.94 174.38 2oj3 s LEU 44 N 1.70 3.20 0.13 2.97 1.02 -0.30 -4.96 118.68 122.44 2oj3 s LEU 44 Ca 0.01 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 53.78 2oj3 s LEU 44 Cb -0.13 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 2oj3 s LEU 44 CO -0.04 -0.06 -0.16 -0.69 0.02 0.00 0.00 176.35 175.42 2oj3 s VAL 45 N 1.50 1.50 0.10 -1.59 1.01 -1.26 -1.52 120.40 120.14 2oj3 s VAL 45 Ca 0.05 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 2oj3 s VAL 45 Cb -0.15 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2oj3 s VAL 45 CO -0.01 -0.33 0.38 -0.55 0.00 0.00 0.00 175.10 174.59 2oj3 s SER 46 N -2.40 -0.21 0.00 3.32 0.15 -1.26 -5.06 113.70 108.23 2oj3 s SER 46 Ca 0.10 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2oj3 s SER 46 Cb -0.06 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2oj3 s SER 46 CO 0.04 -0.78 0.80 0.54 1.20 0.00 0.00 173.24 175.04 2oj3 n ARG 47 N 0.02 1.39 -0.67 5.44 5.12 -1.26 -3.89 116.66 122.82 2oj3 n ARG 47 Ca -0.17 -1.10 -0.32 0.00 -1.93 0.00 0.00 57.85 54.34 2oj3 n ARG 47 Cb 0.62 -1.00 0.17 0.00 -1.16 0.00 0.00 32.46 31.10 2oj3 n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2oj3 n SER 48 N -0.30 -1.90 -0.29 0.55 3.41 -1.26 -4.50 113.62 109.34 2oj3 n SER 48 Ca 0.00 0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.62 2oj3 n SER 48 Cb 0.15 -1.14 0.07 0.00 -0.26 0.00 0.00 64.21 63.04 2oj3 n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2oj3 h LEU 49 N -2.04 0.89 -0.54 1.04 5.85 -1.98 -1.78 115.31 116.76 2oj3 h LEU 49 Ca -0.51 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.03 2oj3 h LEU 49 Cb 1.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2oj3 h LEU 49 CO 0.40 0.64 -0.59 0.50 -0.34 0.00 0.00 178.44 179.04 2oj3 h LYS 50 N 1.06 0.43 -0.20 1.25 3.64 -2.00 -3.35 116.57 117.41 2oj3 h LYS 50 Ca 0.29 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2oj3 h LYS 50 Cb -0.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2oj3 h LYS 50 CO -0.07 0.90 0.00 -1.33 -2.27 0.00 0.00 179.45 176.68 2oj3 n MET 51 N -3.92 1.92 -1.90 1.90 2.81 -1.13 -5.01 117.12 111.79 2oj3 n MET 51 Ca -0.03 -1.84 -0.34 0.00 -1.81 0.00 0.00 57.70 53.68 2oj3 n MET 51 Cb 0.62 -1.37 0.04 0.00 -0.71 0.00 0.00 33.22 31.80 2oj3 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2oj3 s ARG 52 N -1.34 2.89 -0.06 0.03 1.70 -0.68 -3.20 118.95 118.29 2oj3 s ARG 52 Ca 0.26 1.59 0.00 0.00 -0.47 0.00 0.00 55.73 57.11 2oj3 s ARG 52 Cb 0.16 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 2oj3 s ARG 52 CO 0.24 -1.21 0.00 0.41 -1.08 0.00 0.00 175.30 173.65 2oj3 n GLY 53 N 0.00 0.41 3.22 3.88 0.00 -1.26 -4.96 105.19 106.48 2oj3 n GLY 53 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2oj3 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oj3 s GLN 54 N -0.71 1.00 -0.07 1.61 -0.21 -1.20 -1.47 119.66 118.61 2oj3 s GLN 54 Ca 0.00 -1.44 -0.31 0.00 0.02 0.00 0.00 55.36 53.64 2oj3 s GLN 54 Cb 0.00 -0.36 0.08 0.00 1.00 0.00 0.00 33.01 33.73 2oj3 s GLN 54 CO 0.00 -0.03 0.72 0.00 -2.12 0.00 0.00 175.29 173.86 2oj3 s ALA 55 N -3.54 -1.79 -0.33 6.09 0.00 0.17 -4.52 121.76 117.83 2oj3 s ALA 55 Ca 0.17 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 2oj3 s ALA 55 Cb 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.11 2oj3 s ALA 55 CO -0.00 -0.36 0.05 -0.06 0.00 0.00 0.00 175.76 175.39 2oj3 s PHE 56 N -1.11 3.44 -0.33 0.00 0.40 -0.58 -0.19 117.98 119.62 2oj3 s PHE 56 Ca -0.09 -2.26 -0.21 0.00 -0.60 0.00 0.00 56.93 53.77 2oj3 s PHE 56 Cb -0.00 -2.54 -0.00 0.00 0.51 0.00 0.00 43.02 40.99 2oj3 s PHE 56 CO 0.09 -0.88 0.65 0.08 0.70 0.00 0.00 175.22 175.86 2oj3 s VAL 57 N 1.15 4.90 -0.46 -0.44 1.01 -0.89 -1.15 120.40 124.50 2oj3 s VAL 57 Ca 0.01 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 2oj3 s VAL 57 Cb -0.20 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.18 2oj3 s VAL 57 CO -0.03 -0.23 0.41 -0.63 0.00 0.00 0.00 175.10 174.62 2oj3 s ILE 58 N 2.70 5.19 0.23 2.22 1.01 0.65 -1.66 121.20 131.54 2oj3 s ILE 58 Ca 0.26 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2oj3 s ILE 58 Cb -0.15 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 2oj3 s ILE 58 CO 0.13 -0.56 0.71 -0.36 0.00 0.00 0.00 174.94 174.87 2oj3 s PHE 59 N 1.79 3.62 0.31 3.97 0.08 -0.37 0.04 117.98 127.42 2oj3 s PHE 59 Ca 0.06 1.35 0.06 0.00 0.12 0.00 0.00 56.93 58.52 2oj3 s PHE 59 Cb -0.22 -2.59 0.52 0.00 -0.57 0.00 0.00 43.02 40.15 2oj3 s PHE 59 CO 0.08 0.32 1.75 -0.22 -0.10 0.00 0.00 175.22 177.05 2oj3 h LYS 60 N 3.32 0.29 -5.00 0.44 3.64 -1.62 -3.42 116.57 114.22 2oj3 h LYS 60 Ca -0.48 -0.11 -0.58 0.00 -1.27 0.00 0.00 60.65 58.21 2oj3 h LYS 60 Cb 1.19 -0.01 -0.33 0.00 -0.41 0.00 0.00 32.23 32.67 2oj3 h LYS 60 CO 0.65 0.58 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.36 2oj3 s GLU 61 N -4.34 2.12 0.53 1.90 2.02 -1.26 -5.03 118.70 114.64 2oj3 s GLU 61 Ca -0.05 -0.61 0.27 0.00 0.02 0.00 0.00 54.97 54.60 2oj3 s GLU 61 Cb 0.14 -1.71 1.42 0.00 0.10 0.00 0.00 34.13 34.08 2oj3 s GLU 61 CO 0.77 0.14 1.97 0.28 0.02 0.00 0.00 175.26 178.43 2oj3 h VAL 62 N 5.69 0.68 -0.31 2.63 2.07 -1.87 -0.91 116.25 124.23 2oj3 h VAL 62 Ca -0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2oj3 h VAL 62 Cb 1.20 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2oj3 h VAL 62 CO 0.47 0.00 0.17 0.77 0.02 0.00 0.00 177.57 179.01 2oj3 h SER 63 N 0.00 0.28 -0.16 0.57 4.64 -1.96 -0.46 113.55 116.46 2oj3 h SER 63 Ca 0.29 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.65 2oj3 h SER 63 Cb 1.17 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2oj3 h SER 63 CO -0.00 0.20 -0.08 0.28 -0.87 0.00 0.00 176.83 176.36 2oj3 h SER 64 N 0.36 -0.28 -0.00 4.97 0.02 -1.36 0.23 113.55 117.49 2oj3 h SER 64 Ca 0.12 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2oj3 h SER 64 Cb 0.01 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2oj3 h SER 64 CO -0.07 -0.11 0.01 0.00 -1.14 0.00 0.00 176.83 175.53 2oj3 h ALA 65 N 1.07 1.15 0.18 3.77 0.00 -1.22 -1.96 119.26 122.25 2oj3 h ALA 65 Ca 0.09 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.65 2oj3 h ALA 65 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oj3 h ALA 65 CO -0.21 -0.02 -1.73 1.15 0.00 0.00 0.00 179.25 178.45 2oj3 h THR 66 N 0.00 0.96 0.02 0.00 2.02 0.11 -2.82 112.91 113.20 2oj3 h THR 66 Ca 0.00 -2.55 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 2oj3 h THR 66 Cb 0.03 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2oj3 h THR 66 CO -0.00 0.85 -0.01 0.78 0.37 0.00 0.00 175.52 177.51 2oj3 h ASN 67 N 0.10 -0.02 -0.62 4.18 2.35 -0.80 -2.04 115.58 118.73 2oj3 h ASN 67 Ca -0.33 -0.40 0.12 0.00 -0.55 0.00 0.00 56.30 55.14 2oj3 h ASN 67 Cb 2.09 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 40.35 2oj3 h ASN 67 CO 0.18 0.39 -0.26 0.00 -1.65 0.00 0.00 177.43 176.09 2oj3 h ALA 68 N 0.53 0.18 -0.83 -0.83 0.00 -1.51 1.17 119.26 117.97 2oj3 h ALA 68 Ca -0.00 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2oj3 h ALA 68 Cb 0.42 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2oj3 h ALA 68 CO 0.00 -0.56 0.52 1.25 0.00 0.00 0.00 179.25 180.47 2oj3 h LEU 69 N -0.09 0.84 0.21 0.00 5.85 -1.39 -0.17 115.31 120.55 2oj3 h LEU 69 Ca 0.27 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.67 2oj3 h LEU 69 Cb 0.52 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 41.40 2oj3 h LEU 69 CO -0.68 0.56 -1.55 0.03 -0.34 0.00 0.00 178.44 176.46 2oj3 h ARG 70 N 0.98 0.44 -0.19 1.25 3.08 -0.28 -3.20 114.38 116.46 2oj3 h ARG 70 Ca 0.35 -0.75 -0.14 0.00 0.07 0.00 0.00 59.98 59.51 2oj3 h ARG 70 Cb 0.10 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2oj3 h ARG 70 CO -0.15 1.35 -0.44 0.77 -1.07 0.00 0.00 179.97 180.43 2oj3 h SER 71 N 0.12 0.71 0.03 7.04 0.02 0.15 -3.33 113.55 118.29 2oj3 h SER 71 Ca -0.27 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2oj3 h SER 71 Cb 2.12 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.45 2oj3 h SER 71 CO 0.23 1.15 -0.16 0.23 -1.14 0.00 0.00 176.83 177.14 2oj3 n MET 72 N -4.21 1.58 -1.65 3.45 2.81 -0.09 -4.91 117.12 114.10 2oj3 n MET 72 Ca -0.06 -1.15 -0.48 0.00 -1.81 0.00 0.00 57.70 54.20 2oj3 n MET 72 Cb 0.56 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.55 2oj3 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2oj3 n GLN 73 N 0.29 1.80 -0.97 0.03 -0.06 -1.21 -0.57 117.38 116.69 2oj3 n GLN 73 Ca 0.14 0.65 0.00 0.00 -2.00 0.00 0.00 57.00 55.79 2oj3 n GLN 73 Cb 0.45 -2.38 0.00 0.00 -4.06 0.00 0.00 30.24 24.25 2oj3 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2oj3 n GLY 74 N 3.22 0.38 3.71 1.69 0.00 0.15 -4.98 105.19 109.36 2oj3 n GLY 74 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2oj3 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2oj3 s PHE 75 N -1.87 2.84 0.08 1.61 5.36 0.26 -4.27 117.98 122.00 2oj3 s PHE 75 Ca 0.00 0.49 -0.31 0.00 -0.96 0.00 0.00 56.93 56.15 2oj3 s PHE 75 Cb 0.00 -3.97 -0.08 0.00 -0.34 0.00 0.00 43.02 38.63 2oj3 s PHE 75 CO 0.00 -3.68 1.62 -2.14 -1.46 0.00 0.00 175.22 169.56 2oj3 s PRO 76 N 1.62 4.21 -0.09 10.12 0.02 -1.26 -1.64 135.00 147.97 2oj3 s PRO 76 Ca 0.72 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 64.02 2oj3 s PRO 76 Cb -0.43 -3.51 0.05 0.00 0.02 0.00 0.00 34.50 30.63 2oj3 s PRO 76 CO 0.32 -0.69 0.18 0.12 -0.33 0.00 0.00 177.00 176.59 2oj3 s PHE 77 N 2.31 -0.22 -1.53 6.54 5.36 -0.14 -4.81 117.98 125.50 2oj3 s PHE 77 Ca 0.72 0.66 -0.11 0.00 -0.96 0.00 0.00 56.93 57.24 2oj3 s PHE 77 Cb -0.40 -0.20 0.08 0.00 -0.34 0.00 0.00 43.02 42.16 2oj3 s PHE 77 CO 0.32 -0.27 0.82 0.66 -1.46 0.00 0.00 175.22 175.28 2oj3 n TYR 78 N 5.19 -2.02 -0.91 10.12 4.01 -1.26 -1.25 117.16 131.04 2oj3 n TYR 78 Ca -0.07 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 2oj3 n TYR 78 Cb 0.50 -3.74 0.00 0.00 -0.31 0.00 0.00 39.34 35.79 2oj3 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2oj3 n ASP 79 N -2.84 -2.94 -4.26 7.72 8.00 -1.26 -4.74 116.55 116.23 2oj3 n ASP 79 Ca -0.05 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 2oj3 n ASP 79 Cb 0.56 -1.74 -0.14 0.00 -0.02 0.00 0.00 41.12 39.78 2oj3 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2oj3 s LYS 80 N -0.83 1.47 -0.41 -1.24 1.02 -0.38 -5.08 119.74 114.29 2oj3 s LYS 80 Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 2oj3 s LYS 80 Cb 0.00 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2oj3 s LYS 80 CO 0.00 0.41 1.39 -2.14 -0.92 0.00 0.00 175.35 174.09 2oj3 s PRO 81 N -1.12 3.60 0.12 -1.68 0.02 -1.26 -0.96 135.00 133.72 2oj3 s PRO 81 Ca 0.08 0.95 -0.31 0.00 0.02 0.00 0.00 61.00 61.74 2oj3 s PRO 81 Cb -0.09 -4.01 -0.10 0.00 0.02 0.00 0.00 34.50 30.32 2oj3 s PRO 81 CO 0.02 -1.53 1.70 1.41 -0.33 0.00 0.00 177.00 178.27 2oj3 s MET 82 N 4.86 4.17 -0.22 5.54 1.75 -0.65 -4.82 119.30 129.92 2oj3 s MET 82 Ca 0.60 2.45 -0.07 0.00 -1.25 0.00 0.00 55.69 57.42 2oj3 s MET 82 Cb -0.14 -3.47 -0.03 0.00 2.84 0.00 0.00 34.83 34.03 2oj3 s MET 82 CO 0.32 -0.75 0.07 0.50 -0.65 0.00 0.00 175.02 174.51 2oj3 s ARG 83 N 2.28 3.80 0.02 4.11 3.52 -0.87 0.30 118.95 132.10 2oj3 s ARG 83 Ca 0.76 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 2oj3 s ARG 83 Cb -0.43 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2oj3 s ARG 83 CO 0.33 0.00 -0.24 0.42 -0.81 0.00 0.00 175.30 175.00 2oj3 s ILE 84 N 1.11 2.27 0.29 4.11 1.01 -1.26 -1.84 121.20 126.89 2oj3 s ILE 84 Ca 0.04 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.52 2oj3 s ILE 84 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2oj3 s ILE 84 CO 0.03 0.45 0.29 0.00 0.00 0.00 0.00 174.94 175.71 2oj3 n GLN 85 N 2.01 0.41 -3.79 2.79 6.02 -0.61 -5.00 117.38 119.22 2oj3 n GLN 85 Ca -0.17 -2.71 -0.34 0.00 -0.01 0.00 0.00 57.00 53.78 2oj3 n GLN 85 Cb 0.52 2.32 -0.05 0.00 1.02 0.00 0.00 30.24 34.04 2oj3 n GLN 85 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2oj3 s TYR 86 N -3.16 3.56 0.51 1.08 2.02 -1.26 -0.77 117.35 119.32 2oj3 s TYR 86 Ca 0.31 0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 57.30 2oj3 s TYR 86 Cb 0.01 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 2oj3 s TYR 86 CO 0.22 0.60 1.17 0.00 -1.57 0.00 0.00 175.55 175.98 2oj3 s ALA 87 N -1.36 2.83 0.06 3.71 0.00 -0.29 -4.56 121.76 122.15 2oj3 s ALA 87 Ca 0.29 0.94 -0.35 0.00 0.00 0.00 0.00 51.96 52.85 2oj3 s ALA 87 Cb -0.13 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.40 2oj3 s ALA 87 CO 0.18 -0.80 1.53 0.87 0.00 0.00 0.00 175.76 177.54 2oj3 h LYS 88 N 1.62 -1.20 0.00 0.00 1.57 -1.92 -3.45 116.57 113.19 2oj3 h LYS 88 Ca -0.50 0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2oj3 h LYS 88 Cb 1.26 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.84 2oj3 h LYS 88 CO 0.58 -0.80 -0.01 0.25 -0.57 0.00 0.00 179.45 178.90 2oj3 n THR 89 N -5.41 0.00 -2.82 -0.16 -2.24 -1.26 -4.90 114.28 97.49 2oj3 n THR 89 Ca -0.15 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 2oj3 n THR 89 Cb 0.50 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 2oj3 n THR 89 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2oj3 s ASP 90 N -1.20 6.37 0.07 3.42 1.11 -1.26 -4.93 116.67 120.25 2oj3 s ASP 90 Ca 0.02 0.95 -0.16 0.00 0.18 0.00 0.00 52.55 53.54 2oj3 s ASP 90 Cb -0.00 -2.25 -0.06 0.00 1.07 0.00 0.00 42.92 41.67 2oj3 s ASP 90 CO 0.01 -0.46 0.50 -0.44 1.18 0.00 0.00 175.17 175.97 2oj3 s SER 91 N -3.67 6.91 0.46 0.27 0.01 -1.26 -4.93 113.70 111.49 2oj3 s SER 91 Ca 0.48 1.10 0.22 0.00 1.31 0.00 0.00 55.95 59.06 2oj3 s SER 91 Cb -0.10 -2.30 1.22 0.00 0.21 0.00 0.00 66.02 65.05 2oj3 s SER 91 CO 0.38 0.25 1.88 0.44 0.41 0.00 0.00 173.24 176.60 2oj3 h ASP 92 N 4.33 0.26 0.00 2.44 3.32 -1.99 0.43 116.42 125.22 2oj3 h ASP 92 Ca -0.50 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 2oj3 h ASP 92 Cb 1.21 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2oj3 h ASP 92 CO 0.63 0.11 -0.00 0.40 -1.72 0.00 0.00 179.24 178.66 2oj3 h ILE 93 N 0.26 0.89 0.05 0.35 1.08 -1.97 0.34 117.51 118.50 2oj3 h ILE 93 Ca 0.43 -0.01 -0.30 0.00 -0.39 0.00 0.00 64.86 64.59 2oj3 h ILE 93 Cb 1.27 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 2oj3 h ILE 93 CO -0.11 0.00 -1.60 0.40 -0.69 0.00 0.00 178.15 176.15 2oj3 h ILE 94 N 0.00 1.02 0.05 -0.67 1.08 -0.56 -3.35 117.51 115.08 2oj3 h ILE 94 Ca -0.00 -2.78 -0.00 0.00 -0.39 0.00 0.00 64.86 61.69 2oj3 h ILE 94 Cb 0.01 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2oj3 h ILE 94 CO 0.00 0.71 -0.03 0.00 -0.69 0.00 0.00 178.15 178.15 2oj3 h ALA 95 N 0.72 -0.07 0.00 1.87 0.00 -0.46 0.31 119.26 121.63 2oj3 h ALA 95 Ca -0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2oj3 h ALA 95 Cb 1.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2oj3 h ALA 95 CO 0.11 -0.46 0.00 1.63 0.00 0.00 0.00 179.25 180.53 2oj3 n LYS 96 N -5.05 0.00 0.00 0.00 5.02 0.01 -3.37 118.16 114.77 2oj3 n LYS 96 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2oj3 n LYS 96 Cb 0.12 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2oj3 n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2oj3 n MET 97 N -0.24 0.00 0.00 1.97 2.81 -0.89 -5.07 117.12 115.69 2oj3 n MET 97 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 2oj3 n MET 97 Cb 0.00 0.00 0.89 0.00 -0.71 0.00 0.00 33.22 33.40 2oj3 n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11