#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 4.00 0.02 3.17 -2.07 -1.26 -1.13 119.66 122.39 2k39 s GLN 2 Ca 0.00 0.82 0.00 0.00 -1.82 0.00 0.00 55.36 54.37 2k39 s GLN 2 Cb 0.00 -2.27 -0.02 0.00 -1.09 0.00 0.00 33.01 29.63 2k39 s GLN 2 CO 0.00 -0.06 -0.03 0.96 -1.32 0.00 0.00 175.29 174.84 2k39 s ILE 3 N -2.30 0.12 -0.20 3.63 -4.36 -0.83 -1.39 121.20 115.86 2k39 s ILE 3 Ca 0.57 -0.87 -0.07 0.00 -0.26 0.00 0.00 60.65 60.02 2k39 s ILE 3 Cb -0.10 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.31 2k39 s ILE 3 CO 0.23 -0.47 0.05 -0.36 0.24 0.00 0.00 174.94 174.64 2k39 s PHE 4 N -1.38 3.16 -0.38 1.37 0.40 -1.10 -2.32 117.98 117.72 2k39 s PHE 4 Ca -0.15 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 2k39 s PHE 4 Cb -0.10 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2k39 s PHE 4 CO -0.01 -0.06 0.30 0.08 0.70 0.00 0.00 175.22 176.23 2k39 s VAL 5 N 0.84 5.24 0.51 -0.44 1.01 0.25 -3.09 120.40 124.72 2k39 s VAL 5 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2k39 s VAL 5 Cb -0.14 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2k39 s VAL 5 CO 0.02 -0.21 1.13 -0.75 0.00 0.00 0.00 175.10 175.29 2k39 s LYS 6 N 1.77 3.54 0.00 2.72 2.20 -0.72 -0.76 119.74 128.49 2k39 s LYS 6 Ca 0.07 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 2k39 s LYS 6 Cb -0.18 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2k39 s LYS 6 CO 0.11 -0.70 0.00 0.25 -0.36 0.00 0.00 175.35 174.64 2k39 n THR 7 N -0.99 0.00 -2.78 3.43 -2.24 -1.23 -0.96 114.28 109.51 2k39 n THR 7 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2k39 n THR 7 Cb 0.50 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2k39 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k39 n LEU 8 N 0.00 1.05 -1.14 3.22 -0.00 -1.26 -4.80 117.00 114.07 2k39 n LEU 8 Ca 0.00 -3.19 0.03 0.00 -0.00 0.00 0.00 56.01 52.85 2k39 n LEU 8 Cb 0.00 0.41 0.02 0.00 -0.00 0.00 0.00 43.42 43.84 2k39 n LEU 8 CO 0.00 1.24 0.13 0.35 -0.00 0.00 0.00 177.39 179.11 2k39 n THR 9 N -0.62 0.03 -0.15 1.47 -2.24 -1.26 -5.05 114.28 106.45 2k39 n THR 9 Ca 0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2k39 n THR 9 Cb 0.82 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.31 0.91 3.67 3.38 0.00 -1.26 -5.05 105.19 107.16 2k39 n GLY 10 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N -0.49 1.72 -0.15 1.61 -2.85 -1.26 -5.13 119.74 113.18 2k39 s LYS 11 Ca 0.00 -1.25 -0.02 0.00 -1.00 0.00 0.00 55.97 53.70 2k39 s LYS 11 Cb 0.00 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 2k39 s LYS 11 CO 0.00 -0.75 -0.10 0.99 0.10 0.00 0.00 175.35 175.60 2k39 s THR 12 N -3.72 3.24 -0.17 3.79 2.01 -1.26 -3.48 115.64 116.05 2k39 s THR 12 Ca 0.19 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 2k39 s THR 12 Cb -0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2k39 s THR 12 CO 0.10 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 173.91 2k39 s ILE 13 N 0.62 4.32 -0.11 1.82 1.01 0.06 -4.99 121.20 123.93 2k39 s ILE 13 Ca -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2k39 s ILE 13 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2k39 s ILE 13 CO 0.03 0.47 -0.00 -0.89 0.00 0.00 0.00 174.94 174.55 2k39 s THR 14 N 0.43 4.27 0.18 2.92 2.01 -1.26 0.84 115.64 125.04 2k39 s THR 14 Ca -0.00 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.80 2k39 s THR 14 Cb -0.13 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2k39 s THR 14 CO 0.02 0.57 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 2k39 s LEU 15 N -0.50 2.50 -0.11 4.42 2.96 -0.98 -4.98 118.68 121.98 2k39 s LEU 15 Ca 0.09 -1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 2k39 s LEU 15 Cb -0.12 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2k39 s LEU 15 CO 0.02 -0.30 0.10 -0.70 -1.32 0.00 0.00 176.35 174.15 2k39 s GLU 16 N -3.72 3.35 0.20 1.98 2.56 -1.26 -1.97 118.70 119.83 2k39 s GLU 16 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 54.97 54.83 2k39 s GLU 16 Cb 0.02 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 33.07 2k39 s GLU 16 CO 0.04 0.72 0.41 0.14 -0.56 0.00 0.00 175.26 176.01 2k39 s VAL 17 N -0.89 0.04 0.01 3.70 -7.23 -0.28 -4.95 120.40 110.79 2k39 s VAL 17 Ca 0.14 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2k39 s VAL 17 Cb -0.12 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 2k39 s VAL 17 CO 0.03 -0.16 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.93 2k39 s GLU 18 N -3.95 0.24 0.43 4.82 -6.30 -1.26 0.13 118.70 112.81 2k39 s GLU 18 Ca 0.16 -0.24 0.20 0.00 -2.50 0.00 0.00 54.97 52.59 2k39 s GLU 18 Cb 0.01 -0.15 1.14 0.00 0.00 0.00 0.00 34.13 35.14 2k39 s GLU 18 CO 0.02 0.03 1.83 -1.35 0.02 0.00 0.00 175.26 175.81 2k39 h PRO 19 N 5.68 0.34 -0.02 4.30 0.11 -1.96 -2.72 132.00 137.74 2k39 h PRO 19 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2k39 h PRO 19 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2k39 h PRO 19 CO 0.48 0.23 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.22 2k39 n SER 20 N -4.51 1.71 -4.76 -2.05 3.41 -1.26 -1.97 113.62 104.19 2k39 n SER 20 Ca 0.22 -1.41 -0.40 0.00 -0.26 0.00 0.00 58.87 57.02 2k39 n SER 20 Cb 0.81 0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.23 7.16 0.94 4.04 1.11 -1.03 -4.85 116.67 121.82 2k39 s ASP 21 Ca 0.29 2.23 -0.14 0.00 0.18 0.00 0.00 52.55 55.12 2k39 s ASP 21 Cb 0.20 -2.62 0.16 0.00 1.07 0.00 0.00 42.92 41.73 2k39 s ASP 21 CO 0.42 -0.22 1.18 0.42 1.18 0.00 0.00 175.17 178.16 2k39 s THR 22 N -1.25 1.95 0.20 -1.27 -4.23 -1.26 -1.30 115.64 108.48 2k39 s THR 22 Ca 0.47 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2k39 s THR 22 Cb -0.30 -2.82 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2k39 s THR 22 CO 0.39 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.59 2k39 h ILE 23 N -1.59 0.71 -0.92 2.99 1.08 -1.85 -2.85 117.51 115.08 2k39 h ILE 23 Ca -0.48 -0.09 0.24 0.00 -0.39 0.00 0.00 64.86 64.14 2k39 h ILE 23 Cb 1.30 0.41 -0.13 0.00 -3.07 0.00 0.00 36.82 35.34 2k39 h ILE 23 CO 0.54 0.05 0.43 -0.08 -0.69 0.00 0.00 178.15 178.39 2k39 h GLU 24 N 0.27 0.39 -0.28 2.37 4.57 -1.95 -1.56 114.58 118.39 2k39 h GLU 24 Ca 0.28 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 2k39 h GLU 24 Cb 0.38 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2k39 h GLU 24 CO -0.34 0.26 0.19 -0.91 -1.18 0.00 0.00 179.01 177.03 2k39 h ASN 25 N 0.40 0.24 0.33 1.04 4.21 -1.87 0.51 115.58 120.44 2k39 h ASN 25 Ca 0.59 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 58.08 2k39 h ASN 25 Cb 1.16 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2k39 h ASN 25 CO -0.54 0.17 -0.16 0.58 -1.29 0.00 0.00 177.43 176.19 2k39 h VAL 26 N 0.28 0.66 0.00 2.81 2.07 -1.39 -3.23 116.25 117.45 2k39 h VAL 26 Ca 0.12 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2k39 h VAL 26 Cb 0.12 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2k39 h VAL 26 CO -0.02 0.10 -0.23 0.11 0.02 0.00 0.00 177.57 177.54 2k39 h LYS 27 N -0.74 0.00 -0.06 1.57 1.57 -1.23 -1.68 116.57 116.00 2k39 h LYS 27 Ca -0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2k39 h LYS 27 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2k39 h LYS 27 CO 0.08 0.23 -0.21 0.00 -0.57 0.00 0.00 179.45 178.98 2k39 h ALA 28 N 1.77 0.11 0.00 3.86 0.00 -0.15 -1.87 119.26 122.98 2k39 h ALA 28 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2k39 h ALA 28 Cb 0.77 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k39 h ALA 28 CO 0.03 0.08 -0.58 0.87 0.00 0.00 0.00 179.25 179.65 2k39 h LYS 29 N -0.26 0.00 -0.10 0.00 1.57 -1.51 -1.69 116.57 114.58 2k39 h LYS 29 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2k39 h LYS 29 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2k39 h LYS 29 CO 0.04 0.58 -0.05 0.82 -0.57 0.00 0.00 179.45 180.28 2k39 h ILE 30 N 0.00 1.32 -0.35 1.86 2.04 -1.35 -3.08 117.51 117.95 2k39 h ILE 30 Ca -0.01 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.86 2k39 h ILE 30 Cb 1.18 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 2k39 h ILE 30 CO 0.08 0.30 -0.19 -0.61 0.00 0.00 0.00 178.15 177.73 2k39 h GLN 31 N -0.15 -0.13 -0.67 2.37 4.15 -0.99 -0.34 115.11 119.34 2k39 h GLN 31 Ca 0.02 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.59 2k39 h GLN 31 Cb 0.50 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 28.09 2k39 h GLN 31 CO 0.01 -0.09 -0.17 0.22 -1.93 0.00 0.00 178.83 176.88 2k39 h ASP 32 N -0.14 -0.63 0.02 -0.69 1.82 -1.32 0.05 116.42 115.54 2k39 h ASP 32 Ca 0.18 0.20 -0.11 0.00 -0.39 0.00 0.00 57.03 56.91 2k39 h ASP 32 Cb 0.41 0.42 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2k39 h ASP 32 CO -0.44 -0.22 -0.59 0.11 -1.61 0.00 0.00 179.24 176.49 2k39 h LYS 33 N -0.00 0.05 0.00 0.28 1.57 -1.39 -3.40 116.57 113.67 2k39 h LYS 33 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2k39 h LYS 33 Cb 0.49 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2k39 h LYS 33 CO -0.69 1.04 -1.16 0.39 -0.57 0.00 0.00 179.45 178.45 2k39 n GLU 34 N -4.45 1.37 -0.64 3.15 -0.58 -0.16 -5.00 120.64 114.32 2k39 n GLU 34 Ca -0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 2k39 n GLU 34 Cb 0.61 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 1.49 0.81 3.69 0.62 0.00 0.00 -5.01 105.19 106.79 2k39 n GLY 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.15 4.91 0.40 -0.61 1.01 -1.26 -4.95 121.20 117.56 2k39 s ILE 36 Ca 0.00 1.69 -0.24 0.00 0.00 0.00 0.00 60.65 62.10 2k39 s ILE 36 Cb 0.00 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 2k39 s ILE 36 CO 0.00 0.10 1.05 -2.16 0.00 0.00 0.00 174.94 173.94 2k39 s PRO 37 N 1.61 4.16 0.32 2.79 0.04 -1.26 -4.04 135.00 138.63 2k39 s PRO 37 Ca 0.41 1.52 0.26 0.00 0.04 0.00 0.00 61.00 63.24 2k39 s PRO 37 Cb -0.18 -2.55 0.98 0.00 0.04 0.00 0.00 34.50 32.79 2k39 s PRO 37 CO 0.17 -0.14 1.78 -1.00 0.04 0.00 0.00 177.00 177.84 2k39 h PRO 38 N 2.51 0.00 0.00 0.56 0.13 -1.93 -2.77 132.00 130.50 2k39 h PRO 38 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2k39 h PRO 38 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2k39 h PRO 38 CO 0.62 0.00 -0.41 0.22 -0.23 0.00 0.00 178.00 178.21 2k39 h ASP 39 N 0.00 0.00 0.83 1.44 3.58 -2.00 -3.21 116.42 117.07 2k39 h ASP 39 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2k39 h ASP 39 Cb 0.53 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 2k39 h ASP 39 CO 0.00 0.41 -1.22 -0.61 -2.88 0.00 0.00 179.24 174.94 2k39 h GLN 40 N 0.00 0.01 -6.78 0.28 4.15 -1.87 -3.46 115.11 107.44 2k39 h GLN 40 Ca -0.00 -0.02 -0.49 0.00 0.77 0.00 0.00 58.65 58.91 2k39 h GLN 40 Cb 0.92 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 2k39 h GLN 40 CO 0.05 0.86 0.31 -0.65 -1.93 0.00 0.00 178.83 177.48 2k39 s GLN 41 N -2.67 4.65 -0.12 1.69 -0.21 -1.21 0.21 119.66 121.99 2k39 s GLN 41 Ca -0.01 1.33 -0.04 0.00 0.02 0.00 0.00 55.36 56.65 2k39 s GLN 41 Cb 0.09 -3.01 0.06 0.00 1.00 0.00 0.00 33.01 31.16 2k39 s GLN 41 CO 0.82 0.40 0.23 0.50 -2.12 0.00 0.00 175.29 175.12 2k39 s ARG 42 N -1.68 0.11 -0.14 2.91 3.52 -0.94 -4.95 118.95 117.79 2k39 s ARG 42 Ca 0.45 0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 56.43 2k39 s ARG 42 Cb -0.21 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 32.98 2k39 s ARG 42 CO 0.26 -0.32 0.92 -0.51 -0.81 0.00 0.00 175.30 174.85 2k39 s LEU 43 N 2.37 4.21 -0.20 -0.88 1.02 -1.26 -2.53 118.68 121.41 2k39 s LEU 43 Ca 0.02 1.36 -0.09 0.00 0.02 0.00 0.00 54.13 55.44 2k39 s LEU 43 Cb -0.12 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 2k39 s LEU 43 CO -0.08 -0.43 0.09 -0.63 0.02 0.00 0.00 176.35 175.33 2k39 s ILE 44 N 2.09 5.04 -0.04 -0.59 -1.09 -0.64 -3.98 121.20 121.99 2k39 s ILE 44 Ca 0.43 0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.91 2k39 s ILE 44 Cb -0.17 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2k39 s ILE 44 CO 0.15 0.44 0.01 0.12 -1.23 0.00 0.00 174.94 174.42 2k39 s PHE 45 N 0.48 0.39 -1.77 3.97 5.36 -0.86 -1.19 117.98 124.35 2k39 s PHE 45 Ca 0.05 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2k39 s PHE 45 Cb -0.12 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.03 2k39 s PHE 45 CO -0.00 -0.19 0.00 0.00 -1.46 0.00 0.00 175.22 173.57 2k39 n ALA 46 N 4.55 -0.38 0.00 11.12 0.00 -1.26 -1.53 120.51 133.00 2k39 n ALA 46 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k39 n ALA 46 Cb 0.50 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.86 2.91 3.98 0.00 0.00 -1.26 -5.06 105.19 104.91 2k39 n GLY 47 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.35 3.16 0.06 1.61 1.02 -0.58 -5.12 119.74 119.54 2k39 s LYS 48 Ca 0.00 -0.92 0.09 0.00 0.02 0.00 0.00 55.97 55.16 2k39 s LYS 48 Cb 0.00 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2k39 s LYS 48 CO 0.00 0.08 -0.24 -0.65 -0.92 0.00 0.00 175.35 173.62 2k39 s GLN 49 N -4.19 1.82 0.02 1.68 -0.21 -1.26 -2.03 119.66 115.49 2k39 s GLN 49 Ca 0.44 -1.11 -0.17 0.00 0.02 0.00 0.00 55.36 54.53 2k39 s GLN 49 Cb -0.09 -2.04 -0.06 0.00 1.00 0.00 0.00 33.01 31.82 2k39 s GLN 49 CO 0.32 0.51 0.48 -0.51 -2.12 0.00 0.00 175.29 173.97 2k39 s LEU 50 N -1.48 4.48 0.15 2.90 1.43 -1.26 -5.04 118.68 119.87 2k39 s LEU 50 Ca 0.13 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 2k39 s LEU 50 Cb -0.10 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 2k39 s LEU 50 CO 0.04 0.28 0.72 -0.70 0.23 0.00 0.00 176.35 176.92 2k39 s GLU 51 N -0.97 4.46 0.20 1.70 2.56 -1.26 -4.97 118.70 120.42 2k39 s GLU 51 Ca 0.26 1.04 -0.30 0.00 0.00 0.00 0.00 54.97 55.97 2k39 s GLU 51 Cb -0.18 -3.23 -0.08 0.00 2.00 0.00 0.00 34.13 32.64 2k39 s GLU 51 CO 0.16 0.58 1.15 -0.51 -0.56 0.00 0.00 175.26 176.07 2k39 s ASP 52 N -1.18 7.18 0.00 -1.70 1.01 -1.26 -4.06 116.67 116.66 2k39 s ASP 52 Ca 0.35 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.79 2k39 s ASP 52 Cb -0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.10 2k39 s ASP 52 CO 0.24 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.95 2k39 n GLY 53 N 1.98 1.66 3.88 0.21 0.00 -1.26 -5.07 105.19 106.60 2k39 n GLY 53 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 3.43 0.67 1.61 3.00 -1.26 -4.94 118.95 121.06 2k39 s ARG 54 Ca 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 55.73 56.31 2k39 s ARG 54 Cb 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 34.95 32.92 2k39 s ARG 54 CO 0.00 -0.62 0.95 0.95 0.00 0.00 0.00 175.30 176.57 2k39 s THR 55 N -3.16 2.35 0.05 0.02 -4.23 -1.26 -2.98 115.64 106.43 2k39 s THR 55 Ca 0.55 -0.48 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 2k39 s THR 55 Cb -0.11 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.69 2k39 s THR 55 CO 0.52 0.00 1.52 -0.07 -0.54 0.00 0.00 174.62 176.06 2k39 h LEU 56 N -0.42 -0.26 -0.99 4.79 3.38 -1.15 -2.18 115.31 118.48 2k39 h LEU 56 Ca -0.41 -0.10 0.35 0.00 0.09 0.00 0.00 57.88 57.81 2k39 h LEU 56 Cb 1.29 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.94 2k39 h LEU 56 CO 0.50 -0.05 0.45 0.77 0.09 0.00 0.00 178.44 180.20 2k39 h SER 57 N -0.46 0.24 0.17 -0.43 4.64 -1.64 -2.17 113.55 113.91 2k39 h SER 57 Ca -0.03 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2k39 h SER 57 Cb 0.35 0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2k39 h SER 57 CO 0.05 -0.31 -0.05 0.44 -0.87 0.00 0.00 176.83 176.09 2k39 h ASP 58 N 0.12 0.00 0.01 4.97 3.32 -1.69 -2.36 116.42 120.79 2k39 h ASP 58 Ca 0.76 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.81 2k39 h ASP 58 Cb 1.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.39 2k39 h ASP 58 CO -0.73 0.05 -0.67 -1.22 -1.72 0.00 0.00 179.24 174.95 2k39 n TYR 59 N -3.65 0.00 -2.79 4.55 4.01 -0.86 -5.00 117.16 113.41 2k39 n TYR 59 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 2k39 n TYR 59 Cb 0.15 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N -0.62 -2.44 -4.83 7.72 2.85 -0.89 -5.04 115.26 112.01 2k39 n ASN 60 Ca 0.07 -0.31 -0.38 0.00 -0.11 0.00 0.00 54.58 53.86 2k39 n ASN 60 Cb 0.41 -2.84 -0.06 0.00 1.24 0.00 0.00 39.78 38.53 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -3.18 5.03 0.06 -1.44 1.01 -1.13 -5.02 121.20 116.53 2k39 s ILE 61 Ca 0.06 0.84 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 2k39 s ILE 61 Cb -0.02 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2k39 s ILE 61 CO 0.37 0.57 0.27 -1.58 0.00 0.00 0.00 174.94 174.57 2k39 s GLN 62 N -1.03 0.81 -0.30 2.79 2.00 -1.26 -4.58 119.66 118.09 2k39 s GLN 62 Ca 0.24 -0.64 -0.27 0.00 -2.00 0.00 0.00 55.36 52.68 2k39 s GLN 62 Cb -0.17 0.35 -0.12 0.00 0.80 0.00 0.00 33.01 33.87 2k39 s GLN 62 CO 0.13 -0.26 1.14 1.17 -0.50 0.00 0.00 175.29 176.97 2k39 n LYS 63 N 0.40 0.00 -0.97 1.67 4.81 -1.26 -1.51 118.16 121.31 2k39 n LYS 63 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2k39 n LYS 63 Cb 0.60 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.75 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k39 n GLU 64 N 3.56 0.00 -2.02 1.64 1.02 -0.49 -5.02 120.64 119.33 2k39 n GLU 64 Ca 0.27 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.34 2k39 n GLU 64 Cb -0.03 -3.25 -0.02 0.00 -0.02 0.00 0.00 31.44 28.12 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -2.83 6.67 -0.24 1.62 0.01 -0.57 -4.67 113.70 113.69 2k39 s SER 65 Ca 0.00 2.64 -0.16 0.00 1.31 0.00 0.00 55.95 59.74 2k39 s SER 65 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 2k39 s SER 65 CO 0.00 -0.69 0.40 -0.89 0.41 0.00 0.00 173.24 172.47 2k39 s THR 66 N 0.07 5.17 0.25 1.44 2.01 -1.26 -2.69 115.64 120.63 2k39 s THR 66 Ca 0.60 0.67 0.10 0.00 0.31 0.00 0.00 61.69 63.36 2k39 s THR 66 Cb -0.41 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2k39 s THR 66 CO 0.42 0.19 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.61 2k39 s LEU 67 N 1.75 2.58 -0.10 4.42 1.02 -1.18 -4.69 118.68 122.48 2k39 s LEU 67 Ca 0.17 -1.03 0.01 0.00 0.02 0.00 0.00 54.13 53.30 2k39 s LEU 67 Cb -0.15 -0.92 0.02 0.00 0.02 0.00 0.00 46.19 45.16 2k39 s LEU 67 CO 0.09 -0.06 -0.11 -2.28 0.02 0.00 0.00 176.35 174.00 2k39 s HIS 68 N -2.71 1.65 -0.68 0.29 2.46 -0.34 -1.76 115.29 114.20 2k39 s HIS 68 Ca 0.27 -0.76 -0.26 0.00 0.47 0.00 0.00 55.06 54.78 2k39 s HIS 68 Cb -0.03 -1.26 0.04 0.00 -0.13 0.00 0.00 32.58 31.21 2k39 s HIS 68 CO 0.12 -0.45 1.16 -1.17 -2.47 0.00 0.00 174.74 171.93 2k39 s LEU 69 N 1.20 3.59 0.18 8.88 2.96 -0.14 -1.62 118.68 133.73 2k39 s LEU 69 Ca -0.04 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2k39 s LEU 69 Cb -0.14 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 2k39 s LEU 69 CO -0.03 -1.63 0.41 0.68 -1.32 0.00 0.00 176.35 174.45 2k39 s VAL 70 N 5.05 5.15 0.14 1.68 -7.23 -1.05 -4.10 120.40 120.05 2k39 s VAL 70 Ca 0.33 -0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.50 2k39 s VAL 70 Cb -0.10 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 2k39 s VAL 70 CO 0.16 -0.06 0.02 -0.76 -0.31 0.00 0.00 175.10 174.15 2k39 s LEU 71 N -2.94 3.45 0.35 1.32 1.43 -1.26 -2.22 118.68 118.80 2k39 s LEU 71 Ca 0.41 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 2k39 s LEU 71 Cb -0.12 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 2k39 s LEU 71 CO 0.26 0.12 0.91 -0.13 0.23 0.00 0.00 176.35 177.74 2k39 s ARG 72 N -2.74 4.40 -0.05 1.70 1.81 0.13 -4.96 118.95 119.24 2k39 s ARG 72 Ca 0.27 1.17 -0.08 0.00 -1.72 0.00 0.00 55.73 55.37 2k39 s ARG 72 Cb -0.10 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 2k39 s ARG 72 CO 0.19 0.18 0.24 -0.51 -0.68 0.00 0.00 175.30 174.72 2k39 s LEU 73 N -2.48 4.40 0.00 2.53 1.43 -1.26 -4.95 118.68 118.35 2k39 s LEU 73 Ca 0.54 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2k39 s LEU 73 Cb -0.15 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2k39 s LEU 73 CO 0.19 0.33 0.00 -1.14 0.23 0.00 0.00 176.35 175.97 2k39 n ARG 74 N 1.59 0.00 0.00 1.70 0.63 -1.26 -5.17 116.66 114.15 2k39 n ARG 74 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 2k39 n ARG 74 Cb 0.54 -0.10 0.00 0.00 0.45 0.00 0.00 32.46 33.34 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N -0.85 3.42 0.00 5.14 0.00 -1.26 -5.31 105.19 106.33 2k39 n GLY 75 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93