#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 2.35 0.07 3.17 -0.21 -1.26 -2.15 119.66 121.63 2k39 s GLN 2 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.55 2k39 s GLN 2 Cb 0.00 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 2k39 s GLN 2 CO 0.00 0.57 -0.08 0.96 -2.12 0.00 0.00 175.29 174.62 2k39 s ILE 3 N -1.02 0.66 -0.12 1.08 -4.36 -1.18 -0.71 121.20 115.55 2k39 s ILE 3 Ca 0.17 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2k39 s ILE 3 Cb -0.11 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.39 2k39 s ILE 3 CO 0.08 -0.63 -0.09 -0.36 0.24 0.00 0.00 174.94 174.18 2k39 s PHE 4 N -2.53 2.89 -0.10 1.37 0.40 -0.65 -2.51 117.98 116.86 2k39 s PHE 4 Ca 0.02 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2k39 s PHE 4 Cb -0.02 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2k39 s PHE 4 CO -0.02 -0.05 -0.21 0.08 0.70 0.00 0.00 175.22 175.72 2k39 s VAL 5 N 0.12 1.88 -0.07 -0.44 1.01 0.31 -1.50 120.40 121.71 2k39 s VAL 5 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2k39 s VAL 5 Cb -0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2k39 s VAL 5 CO 0.04 0.52 0.23 -0.54 0.00 0.00 0.00 175.10 175.34 2k39 s LYS 6 N 0.52 3.58 0.58 2.72 -0.14 -1.00 0.65 119.74 126.65 2k39 s LYS 6 Ca -0.15 0.00 -0.05 0.00 -1.36 0.00 0.00 55.97 54.41 2k39 s LYS 6 Cb -0.17 -3.18 0.13 0.00 -1.68 0.00 0.00 37.83 32.93 2k39 s LYS 6 CO 0.06 0.73 0.80 0.25 -0.76 0.00 0.00 175.35 176.42 2k39 n THR 7 N 1.77 0.00 -0.04 2.17 -2.24 -0.49 -0.91 114.28 114.54 2k39 n THR 7 Ca -0.17 -0.90 -0.14 0.00 -2.27 0.00 0.00 64.05 60.57 2k39 n THR 7 Cb 0.54 -1.33 -0.09 0.00 -2.10 0.00 0.00 70.33 67.35 2k39 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 8 N 0.00 0.35 -0.05 3.22 4.07 -1.89 -3.08 115.31 117.93 2k39 h LEU 8 Ca -0.26 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.11 2k39 h LEU 8 Cb 0.83 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2k39 h LEU 8 CO 0.23 0.88 0.00 0.35 -1.08 0.00 0.00 178.44 178.82 2k39 n THR 9 N -4.51 0.37 0.00 0.22 -2.24 -1.26 -4.92 114.28 101.95 2k39 n THR 9 Ca -0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2k39 n THR 9 Cb 0.44 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 1.21 1.18 3.74 3.38 0.00 -1.17 -5.08 105.19 108.46 2k39 n GLY 10 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N -0.56 4.47 -0.28 1.61 2.20 -1.26 -4.82 119.74 121.10 2k39 s LYS 11 Ca 0.00 1.95 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 2k39 s LYS 11 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2k39 s LYS 11 CO 0.00 -0.09 0.31 0.99 -0.36 0.00 0.00 175.35 176.20 2k39 s THR 12 N -0.32 5.22 -0.22 3.43 2.01 -1.26 -1.40 115.64 123.09 2k39 s THR 12 Ca 0.52 0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.84 2k39 s THR 12 Cb -0.34 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k39 s THR 12 CO 0.40 0.18 0.10 -0.63 -0.69 0.00 0.00 174.62 173.97 2k39 s ILE 13 N 1.96 4.81 -0.19 1.82 1.01 0.21 -4.96 121.20 125.86 2k39 s ILE 13 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 2k39 s ILE 13 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2k39 s ILE 13 CO 0.10 0.38 -0.02 0.42 0.00 0.00 0.00 174.94 175.82 2k39 s THR 14 N 1.00 3.74 0.11 2.92 -4.23 -1.26 -0.53 115.64 117.39 2k39 s THR 14 Ca 0.05 -0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 2k39 s THR 14 Cb -0.14 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 2k39 s THR 14 CO 0.03 0.44 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.77 2k39 s LEU 15 N 0.99 3.32 -0.47 4.79 2.01 -1.04 -5.02 118.68 123.26 2k39 s LEU 15 Ca 0.01 -0.27 -0.25 0.00 0.01 0.00 0.00 54.13 53.63 2k39 s LEU 15 Cb -0.14 -2.06 0.03 0.00 0.01 0.00 0.00 46.19 44.02 2k39 s LEU 15 CO 0.01 0.16 0.92 -1.61 1.01 0.00 0.00 176.35 176.85 2k39 s GLU 16 N -2.38 3.50 0.11 1.70 2.02 -1.26 -3.12 118.70 119.27 2k39 s GLU 16 Ca 0.25 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.35 2k39 s GLU 16 Cb -0.11 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2k39 s GLU 16 CO 0.17 -1.26 -0.08 0.14 0.02 0.00 0.00 175.26 174.25 2k39 s VAL 17 N 3.78 0.87 0.26 2.63 -7.23 -0.91 -4.99 120.40 114.79 2k39 s VAL 17 Ca 0.36 -1.96 0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2k39 s VAL 17 Cb -0.10 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2k39 s VAL 17 CO 0.25 -0.82 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.43 2k39 s GLU 18 N -3.75 1.59 0.62 4.82 0.41 -1.26 -0.17 118.70 120.96 2k39 s GLU 18 Ca 0.13 -1.71 0.41 0.00 -0.41 0.00 0.00 54.97 53.39 2k39 s GLU 18 Cb 0.04 -1.63 2.19 0.00 -1.78 0.00 0.00 34.13 32.95 2k39 s GLU 18 CO -0.03 0.30 2.25 -1.35 -0.49 0.00 0.00 175.26 175.95 2k39 h PRO 19 N 2.40 0.00 -0.01 0.39 0.11 -1.95 -2.80 132.00 130.14 2k39 h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k39 h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k39 h PRO 19 CO 0.60 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.13 2k39 n SER 20 N -2.98 1.34 -4.74 -2.05 3.41 -1.26 -0.99 113.62 106.35 2k39 n SER 20 Ca -0.02 -1.24 -0.41 0.00 -0.26 0.00 0.00 58.87 56.94 2k39 n SER 20 Cb 0.09 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -2.24 7.01 0.67 4.04 1.01 -1.06 -4.93 116.67 121.17 2k39 s ASP 21 Ca 0.31 2.32 -0.10 0.00 0.71 0.00 0.00 52.55 55.79 2k39 s ASP 21 Cb 0.20 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2k39 s ASP 21 CO 0.42 -0.42 1.03 0.42 0.21 0.00 0.00 175.17 176.83 2k39 s THR 22 N -0.12 3.54 0.35 -1.27 -4.23 -1.26 -3.04 115.64 109.61 2k39 s THR 22 Ca 0.53 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.42 2k39 s THR 22 Cb -0.34 -3.47 0.30 0.00 1.34 0.00 0.00 72.50 70.33 2k39 s THR 22 CO 0.38 -0.58 1.93 0.40 -0.54 0.00 0.00 174.62 176.22 2k39 h ILE 23 N -0.50 0.99 -0.40 2.99 1.08 -1.47 -1.17 117.51 119.03 2k39 h ILE 23 Ca -0.45 -0.27 -0.11 0.00 -0.39 0.00 0.00 64.86 63.64 2k39 h ILE 23 Cb 1.25 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k39 h ILE 23 CO 0.63 0.14 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.94 2k39 h GLU 24 N 0.79 0.78 -0.22 2.37 4.57 -1.87 -3.10 114.58 117.90 2k39 h GLU 24 Ca 0.35 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2k39 h GLU 24 Cb 0.35 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2k39 h GLU 24 CO -0.13 0.92 0.07 -0.97 -1.18 0.00 0.00 179.01 177.72 2k39 h ASN 25 N 0.68 0.07 -0.88 1.04 -0.73 -1.58 -1.62 115.58 112.56 2k39 h ASN 25 Ca 0.10 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2k39 h ASN 25 Cb 0.72 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.29 2k39 h ASN 25 CO 0.06 0.07 0.56 0.58 -0.37 0.00 0.00 177.43 178.32 2k39 h VAL 26 N 0.17 1.23 0.00 2.57 2.07 -1.46 -1.55 116.25 119.28 2k39 h VAL 26 Ca 0.10 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2k39 h VAL 26 Cb 0.07 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2k39 h VAL 26 CO -0.10 0.23 -0.15 0.11 0.02 0.00 0.00 177.57 177.68 2k39 h LYS 27 N 1.20 0.00 0.00 1.57 1.57 -1.38 -2.67 116.57 116.86 2k39 h LYS 27 Ca 0.32 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.90 2k39 h LYS 27 Cb -0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2k39 h LYS 27 CO -0.06 0.08 -0.96 0.00 -0.57 0.00 0.00 179.45 177.93 2k39 h ALA 28 N 1.92 0.38 0.00 3.86 0.00 -1.16 -0.74 119.26 123.51 2k39 h ALA 28 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 2k39 h ALA 28 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k39 h ALA 28 CO 0.01 1.20 -0.24 0.87 0.00 0.00 0.00 179.25 181.09 2k39 h LYS 29 N 0.00 0.00 -0.12 0.00 1.57 -1.18 -0.65 116.57 116.19 2k39 h LYS 29 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2k39 h LYS 29 Cb 1.74 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.05 2k39 h LYS 29 CO 0.13 0.24 -0.55 0.82 -0.57 0.00 0.00 179.45 179.52 2k39 h ILE 30 N 0.00 1.35 -0.56 1.86 2.04 -1.40 -2.33 117.51 118.46 2k39 h ILE 30 Ca -0.00 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 2k39 h ILE 30 Cb 0.84 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2k39 h ILE 30 CO 0.03 0.56 0.15 -0.61 0.00 0.00 0.00 178.15 178.28 2k39 h GLN 31 N 0.22 0.89 0.35 2.37 -0.00 -0.92 0.21 115.11 118.23 2k39 h GLN 31 Ca -0.03 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2k39 h GLN 31 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.53 2k39 h GLN 31 CO 0.11 0.82 -0.33 0.22 0.00 0.00 0.00 178.83 179.66 2k39 h ASP 32 N 0.79 -0.89 0.72 -0.69 3.58 -1.19 -1.16 116.42 117.59 2k39 h ASP 32 Ca 0.18 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.50 2k39 h ASP 32 Cb 0.33 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2k39 h ASP 32 CO -0.00 -0.47 -0.95 0.50 -2.88 0.00 0.00 179.24 175.44 2k39 h LYS 33 N -0.70 0.13 0.00 0.28 3.64 -1.36 -3.41 116.57 115.15 2k39 h LYS 33 Ca -0.02 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2k39 h LYS 33 Cb 0.63 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2k39 h LYS 33 CO -0.05 0.98 0.00 -1.91 -2.27 0.00 0.00 179.45 176.20 2k39 n GLU 34 N -3.56 0.00 -0.25 1.90 4.07 -0.00 -5.06 120.64 117.74 2k39 n GLU 34 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 2k39 n GLU 34 Cb 0.86 -0.11 0.00 0.00 -0.06 0.00 0.00 31.44 32.13 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 0.00 0.86 3.69 8.31 0.00 -0.44 -4.96 105.19 112.66 2k39 n GLY 35 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.00 5.06 0.51 -0.61 1.01 -1.25 -4.84 121.20 119.08 2k39 s ILE 36 Ca 0.00 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.73 2k39 s ILE 36 Cb 0.00 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2k39 s ILE 36 CO 0.00 0.20 0.96 -2.16 0.00 0.00 0.00 174.94 173.95 2k39 s PRO 37 N 1.27 3.90 0.35 2.79 0.04 -1.26 -3.18 135.00 138.91 2k39 s PRO 37 Ca 0.31 0.88 0.13 0.00 0.04 0.00 0.00 61.00 62.36 2k39 s PRO 37 Cb -0.16 -2.16 0.64 0.00 0.04 0.00 0.00 34.50 32.86 2k39 s PRO 37 CO 0.13 -0.27 1.77 -1.00 0.04 0.00 0.00 177.00 177.67 2k39 h PRO 38 N 0.85 0.00 -6.27 0.56 0.13 -1.91 -3.37 132.00 122.00 2k39 h PRO 38 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2k39 h PRO 38 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k39 h PRO 38 CO 0.62 0.43 1.16 0.34 -0.23 0.00 0.00 178.00 180.32 2k39 s ASP 39 N -6.86 6.46 0.00 1.44 2.15 -1.26 -2.74 116.67 115.86 2k39 s ASP 39 Ca -0.02 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.14 2k39 s ASP 39 Cb 0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2k39 s ASP 39 CO 0.73 -1.11 0.00 0.00 -0.17 0.00 0.00 175.17 174.62 2k39 n GLN 40 N 7.46 0.00 -3.58 4.34 6.02 -1.26 -4.99 117.38 125.37 2k39 n GLN 40 Ca 0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 2k39 n GLN 40 Cb 0.43 -2.39 -0.10 0.00 1.02 0.00 0.00 30.24 29.19 2k39 n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k39 s GLN 41 N -0.07 3.99 0.11 -1.09 0.74 -1.11 -0.38 119.66 121.86 2k39 s GLN 41 Ca 0.00 -0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.18 2k39 s GLN 41 Cb 0.00 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2k39 s GLN 41 CO 0.00 -0.13 0.12 1.03 -0.55 0.00 0.00 175.29 175.76 2k39 s ARG 42 N 1.61 2.94 -0.25 1.67 0.52 -0.25 -4.91 118.95 120.28 2k39 s ARG 42 Ca 0.08 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2k39 s ARG 42 Cb -0.15 -2.72 0.06 0.00 0.52 0.00 0.00 34.95 32.65 2k39 s ARG 42 CO 0.09 0.54 -0.11 -0.51 0.02 0.00 0.00 175.30 175.33 2k39 s LEU 43 N -2.70 3.14 0.13 2.53 1.43 -1.26 -1.36 118.68 120.59 2k39 s LEU 43 Ca 0.30 -1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.05 2k39 s LEU 43 Cb -0.11 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 2k39 s LEU 43 CO 0.23 -0.18 0.41 -0.63 0.23 0.00 0.00 176.35 176.41 2k39 s ILE 44 N 1.18 5.10 -0.25 -0.59 1.01 0.48 -3.15 121.20 124.98 2k39 s ILE 44 Ca -0.07 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2k39 s ILE 44 Cb -0.19 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.72 2k39 s ILE 44 CO -0.06 0.12 -0.01 0.12 0.00 0.00 0.00 174.94 175.11 2k39 s PHE 45 N -1.58 2.31 0.00 3.97 2.19 -0.82 -1.33 117.98 122.73 2k39 s PHE 45 Ca 0.39 -1.80 0.00 0.00 0.33 0.00 0.00 56.93 55.84 2k39 s PHE 45 Cb -0.13 -1.69 0.00 0.00 -1.31 0.00 0.00 43.02 39.89 2k39 s PHE 45 CO 0.21 -0.79 0.00 0.00 1.83 0.00 0.00 175.22 176.47 2k39 n ALA 46 N 4.69 0.00 -0.40 11.12 0.00 -1.26 -0.50 120.51 134.16 2k39 n ALA 46 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k39 n ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N 0.00 0.44 3.52 0.00 0.00 -1.26 -4.98 105.19 102.91 2k39 n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N -0.51 3.33 0.22 1.61 1.02 0.35 -5.06 119.74 120.70 2k39 s LYS 48 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 2k39 s LYS 48 Cb 0.00 -4.06 -0.10 0.00 -0.52 0.00 0.00 37.83 33.16 2k39 s LYS 48 CO 0.00 -1.50 1.42 -1.14 -0.92 0.00 0.00 175.35 173.21 2k39 s GLN 49 N 3.98 4.29 -0.34 1.68 2.00 -1.26 -1.94 119.66 128.06 2k39 s GLN 49 Ca 0.30 2.24 -0.08 0.00 -2.00 0.00 0.00 55.36 55.82 2k39 s GLN 49 Cb -0.13 -3.14 0.03 0.00 0.80 0.00 0.00 33.01 30.57 2k39 s GLN 49 CO 0.19 -0.41 0.14 -0.51 -0.50 0.00 0.00 175.29 174.21 2k39 s LEU 50 N -0.06 4.39 -0.01 3.68 1.43 -1.19 -5.01 118.68 121.92 2k39 s LEU 50 Ca 0.60 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 2k39 s LEU 50 Cb -0.41 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 2k39 s LEU 50 CO 0.40 -0.32 1.54 -1.61 0.23 0.00 0.00 176.35 176.59 2k39 s GLU 51 N 1.49 4.22 0.54 1.70 0.41 -1.26 -4.82 118.70 120.99 2k39 s GLU 51 Ca 0.01 2.12 0.26 0.00 -0.41 0.00 0.00 54.97 56.95 2k39 s GLU 51 Cb -0.19 -3.72 1.41 0.00 -1.78 0.00 0.00 34.13 29.85 2k39 s GLU 51 CO 0.04 -0.71 1.77 -0.44 -0.49 0.00 0.00 175.26 175.43 2k39 h ASP 52 N 8.52 0.00 -0.03 -0.19 5.19 -1.97 -2.80 116.42 125.15 2k39 h ASP 52 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2k39 h ASP 52 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2k39 h ASP 52 CO 0.93 0.00 -0.12 0.61 -3.12 0.00 0.00 179.24 177.54 2k39 n GLY 53 N -1.23 0.74 3.96 2.75 0.00 -1.26 -3.50 105.19 106.65 2k39 n GLY 53 Ca -0.02 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -2.12 2.84 0.36 1.61 1.81 -1.06 -4.87 118.95 117.52 2k39 s ARG 54 Ca 0.26 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.77 2k39 s ARG 54 Cb 0.20 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 2k39 s ARG 54 CO 0.37 -0.48 0.22 0.95 -0.68 0.00 0.00 175.30 175.68 2k39 s THR 55 N -2.67 3.03 0.36 0.02 -4.23 -1.26 -1.71 115.64 109.18 2k39 s THR 55 Ca 0.52 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 2k39 s THR 55 Cb -0.10 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.91 2k39 s THR 55 CO 0.38 -0.13 1.96 -0.07 -0.54 0.00 0.00 174.62 176.22 2k39 h LEU 56 N 1.38 0.55 -0.92 4.79 3.38 -1.62 -2.05 115.31 120.83 2k39 h LEU 56 Ca -0.44 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 57.62 2k39 h LEU 56 Cb 1.25 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 2k39 h LEU 56 CO 0.62 0.50 0.54 -1.28 0.09 0.00 0.00 178.44 178.91 2k39 h SER 57 N 0.61 0.73 -0.00 -0.43 0.87 -1.33 -1.93 113.55 112.06 2k39 h SER 57 Ca 0.15 0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.55 2k39 h SER 57 Cb 0.12 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2k39 h SER 57 CO -0.02 0.35 -0.90 0.44 -0.53 0.00 0.00 176.83 176.17 2k39 h ASP 58 N 0.80 0.80 1.27 6.23 3.32 -1.70 -3.29 116.42 123.84 2k39 h ASP 58 Ca 0.48 -0.74 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 2k39 h ASP 58 Cb 0.59 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2k39 h ASP 58 CO -0.31 1.44 -0.75 1.88 -1.72 0.00 0.00 179.24 179.77 2k39 h TYR 59 N 0.24 0.00 -2.84 4.55 0.05 -1.47 -3.48 116.97 114.02 2k39 h TYR 59 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2k39 h TYR 59 Cb 1.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.31 2k39 h TYR 59 CO 0.12 0.10 0.00 -1.71 -1.05 0.00 0.00 178.16 175.62 2k39 n ASN 60 N -2.85 -1.89 -4.26 3.88 5.15 -0.79 -5.03 115.26 109.46 2k39 n ASN 60 Ca 0.00 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.61 2k39 n ASN 60 Cb 0.59 -0.58 -0.13 0.00 -0.53 0.00 0.00 39.78 39.14 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k39 s ILE 61 N -2.95 3.70 0.34 -1.44 1.01 -0.84 -5.07 121.20 115.95 2k39 s ILE 61 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.57 2k39 s ILE 61 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2k39 s ILE 61 CO 0.00 -0.17 0.35 -1.10 0.00 0.00 0.00 174.94 174.02 2k39 s GLN 62 N 1.39 2.86 -0.16 2.79 -0.21 -1.26 -4.66 119.66 120.40 2k39 s GLN 62 Ca -0.02 -1.20 -0.41 0.00 0.02 0.00 0.00 55.36 53.75 2k39 s GLN 62 Cb -0.19 -2.59 -0.18 0.00 1.00 0.00 0.00 33.01 31.04 2k39 s GLN 62 CO 0.02 0.08 1.45 0.36 -2.12 0.00 0.00 175.29 175.08 2k39 n LYS 63 N -1.46 0.64 -0.79 2.91 2.85 -1.26 -2.61 118.16 118.44 2k39 n LYS 63 Ca -0.01 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2k39 n LYS 63 Cb 0.59 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 3.39 0.00 -1.73 -1.58 2.13 0.12 -5.01 120.64 117.96 2k39 n GLU 64 Ca 0.24 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.67 2k39 n GLU 64 Cb 0.10 -2.34 0.05 0.00 0.27 0.00 0.00 31.44 29.51 2k39 n GLU 64 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k39 n SER 65 N 0.00 2.45 -3.98 4.31 7.64 -1.07 -4.83 113.62 118.14 2k39 n SER 65 Ca 0.00 0.94 -0.31 0.00 1.01 0.00 0.00 58.87 60.51 2k39 n SER 65 Cb 0.00 -1.56 -0.15 0.00 -1.01 0.00 0.00 64.21 61.48 2k39 n SER 65 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k39 s THR 66 N -1.32 1.72 0.24 0.44 -4.23 -1.26 -1.63 115.64 109.60 2k39 s THR 66 Ca 0.74 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 2k39 s THR 66 Cb -0.41 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2k39 s THR 66 CO 0.47 -0.04 0.03 -0.76 -0.54 0.00 0.00 174.62 173.78 2k39 s LEU 67 N 1.32 3.31 -0.02 4.79 1.02 -0.56 -4.54 118.68 123.99 2k39 s LEU 67 Ca -0.06 -0.53 0.07 0.00 0.02 0.00 0.00 54.13 53.63 2k39 s LEU 67 Cb -0.19 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 2k39 s LEU 67 CO -0.06 0.01 -0.24 -2.28 0.02 0.00 0.00 176.35 173.80 2k39 s HIS 68 N -2.16 2.16 -0.16 0.29 2.46 -0.44 -2.38 115.29 115.07 2k39 s HIS 68 Ca 0.31 -0.44 -0.06 0.00 0.47 0.00 0.00 55.06 55.33 2k39 s HIS 68 Cb -0.07 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.94 2k39 s HIS 68 CO 0.20 -0.06 0.05 -1.17 -2.47 0.00 0.00 174.74 171.30 2k39 s LEU 69 N -0.50 3.81 -0.11 8.88 0.20 -0.09 -0.39 118.68 130.48 2k39 s LEU 69 Ca 0.08 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.02 2k39 s LEU 69 Cb -0.10 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2k39 s LEU 69 CO -0.00 0.23 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.47 2k39 s VAL 70 N 0.01 3.11 -0.37 1.68 1.01 -0.47 -4.40 120.40 120.98 2k39 s VAL 70 Ca 0.05 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 2k39 s VAL 70 Cb -0.12 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2k39 s VAL 70 CO 0.01 0.54 0.64 -0.76 0.00 0.00 0.00 175.10 175.52 2k39 s LEU 71 N 0.09 4.29 0.13 3.92 1.43 -1.26 -1.09 118.68 126.19 2k39 s LEU 71 Ca -0.05 0.07 0.23 0.00 -1.03 0.00 0.00 54.13 53.34 2k39 s LEU 71 Cb -0.15 -2.77 0.91 0.00 0.03 0.00 0.00 46.19 44.21 2k39 s LEU 71 CO 0.04 -0.62 1.71 -1.14 0.23 0.00 0.00 176.35 176.57 2k39 n ARG 72 N 6.08 0.12 -3.73 1.70 0.63 0.49 -4.67 116.66 117.28 2k39 n ARG 72 Ca -0.01 0.24 -0.10 0.00 -0.92 0.00 0.00 57.85 57.05 2k39 n ARG 72 Cb 0.48 -1.68 -0.06 0.00 0.45 0.00 0.00 32.46 31.65 2k39 n ARG 72 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2k39 s LEU 73 N -3.80 0.82 0.92 6.15 2.96 -1.26 -5.09 118.68 119.39 2k39 s LEU 73 Ca 0.09 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 2k39 s LEU 73 Cb 0.12 1.47 0.14 0.00 0.50 0.00 0.00 46.19 48.43 2k39 s LEU 73 CO 0.44 -0.74 1.09 -0.13 -1.32 0.00 0.00 176.35 175.69 2k39 s ARG 74 N -3.42 1.03 -0.20 1.98 0.52 -1.26 -4.99 118.95 112.61 2k39 s ARG 74 Ca 0.01 0.84 0.16 0.00 -0.52 0.00 0.00 55.73 56.21 2k39 s ARG 74 Cb 0.02 -1.78 0.54 0.00 0.52 0.00 0.00 34.95 34.25 2k39 s ARG 74 CO -0.09 -2.40 1.45 0.41 0.02 0.00 0.00 175.30 174.69 2k39 n GLY 75 N -0.92 4.12 0.00 -3.53 0.00 -1.26 -5.16 105.19 98.43 2k39 n GLY 75 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93