#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 3.78 0.07 2.12 -1.52 -1.26 -0.88 119.66 121.96 2k39 s GLN 2 Ca 0.00 0.24 -0.07 0.00 -1.95 0.00 0.00 55.36 53.58 2k39 s GLN 2 Cb 0.00 -3.18 -0.01 0.00 -0.22 0.00 0.00 33.01 29.60 2k39 s GLN 2 CO 0.00 0.69 0.13 0.96 -0.25 0.00 0.00 175.29 176.82 2k39 s ILE 3 N -1.12 0.16 0.14 1.08 -4.36 -0.98 -0.51 121.20 115.61 2k39 s ILE 3 Ca 0.23 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 2k39 s ILE 3 Cb -0.15 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 2k39 s ILE 3 CO 0.12 -0.73 0.10 -0.36 0.24 0.00 0.00 174.94 174.31 2k39 s PHE 4 N -3.77 3.11 -0.11 1.37 0.08 0.99 -2.12 117.98 117.53 2k39 s PHE 4 Ca 0.05 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.12 2k39 s PHE 4 Cb 0.05 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2k39 s PHE 4 CO -0.10 0.52 -0.22 0.08 -0.10 0.00 0.00 175.22 175.40 2k39 s VAL 5 N -1.62 2.25 -0.08 -0.44 1.01 0.11 -0.63 120.40 121.00 2k39 s VAL 5 Ca 0.30 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2k39 s VAL 5 Cb -0.11 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2k39 s VAL 5 CO 0.22 0.55 -0.08 -0.75 0.00 0.00 0.00 175.10 175.05 2k39 s LYS 6 N 0.34 2.85 0.10 2.72 2.20 0.16 -1.44 119.74 126.67 2k39 s LYS 6 Ca -0.17 -0.57 -0.20 0.00 -0.36 0.00 0.00 55.97 54.66 2k39 s LYS 6 Cb -0.18 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.48 2k39 s LYS 6 CO 0.08 0.59 0.61 0.95 -0.36 0.00 0.00 175.35 177.22 2k39 s THR 7 N -0.61 4.68 0.28 3.43 -4.23 -0.21 -1.79 115.64 117.18 2k39 s THR 7 Ca 0.09 1.27 0.35 0.00 -1.18 0.00 0.00 61.69 62.22 2k39 s THR 7 Cb -0.12 -3.92 0.35 0.00 1.34 0.00 0.00 72.50 70.15 2k39 s THR 7 CO 0.02 0.52 2.06 -0.07 -0.54 0.00 0.00 174.62 176.60 2k39 h LEU 8 N 4.39 0.00 -0.02 4.79 3.38 -1.87 0.59 115.31 126.57 2k39 h LEU 8 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k39 h LEU 8 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k39 h LEU 8 CO 0.64 0.00 -0.01 0.35 0.09 0.00 0.00 178.44 179.51 2k39 n THR 9 N -2.73 0.00 0.00 0.22 -2.24 -1.26 -4.97 114.28 103.30 2k39 n THR 9 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2k39 n THR 9 Cb 0.06 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 1.30 0.45 3.67 3.38 0.00 0.20 -5.10 105.19 109.09 2k39 n GLY 10 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2k39 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k39 n LYS 11 N -1.46 0.69 -4.22 1.61 4.81 -1.25 -4.85 118.16 113.49 2k39 n LYS 11 Ca 0.00 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 2k39 n LYS 11 Cb 0.00 -2.36 -0.10 0.00 0.02 0.00 0.00 35.03 32.58 2k39 n LYS 11 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2k39 s THR 12 N -1.70 0.84 0.04 3.15 -4.23 -1.26 -1.05 115.64 111.43 2k39 s THR 12 Ca 0.77 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2k39 s THR 12 Cb -0.35 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 2k39 s THR 12 CO 0.46 -0.72 0.05 0.27 -0.54 0.00 0.00 174.62 174.15 2k39 s ILE 13 N -3.54 0.14 -0.21 2.99 -0.00 -0.52 -5.01 121.20 115.06 2k39 s ILE 13 Ca 0.17 -1.18 -0.13 0.00 -0.00 0.00 0.00 60.65 59.51 2k39 s ILE 13 Cb 0.05 -0.88 -0.05 0.00 -0.00 0.00 0.00 42.46 41.58 2k39 s ILE 13 CO -0.01 -0.65 0.26 -0.89 -0.00 0.00 0.00 174.94 173.65 2k39 s THR 14 N -2.61 5.30 -0.35 8.37 2.01 -1.26 -0.71 115.64 126.39 2k39 s THR 14 Ca -0.05 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2k39 s THR 14 Cb -0.01 -3.59 0.10 0.00 0.01 0.00 0.00 72.50 69.00 2k39 s THR 14 CO -0.05 0.33 0.07 -0.76 -0.69 0.00 0.00 174.62 173.52 2k39 s LEU 15 N 0.98 4.73 -0.05 4.42 2.01 -0.90 -4.96 118.68 124.91 2k39 s LEU 15 Ca 0.13 -2.02 -0.30 0.00 0.01 0.00 0.00 54.13 51.95 2k39 s LEU 15 Cb -0.14 -1.67 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 2k39 s LEU 15 CO 0.05 -0.40 1.15 -1.83 1.01 0.00 0.00 176.35 176.33 2k39 s GLU 16 N 0.99 4.39 0.17 1.70 1.03 -1.26 -2.31 118.70 123.41 2k39 s GLU 16 Ca 0.08 1.61 0.01 0.00 0.03 0.00 0.00 54.97 56.70 2k39 s GLU 16 Cb -0.20 -3.52 -0.05 0.00 -0.80 0.00 0.00 34.13 29.56 2k39 s GLU 16 CO -0.07 -0.37 0.02 0.14 -1.33 0.00 0.00 175.26 173.65 2k39 s VAL 17 N 1.96 0.55 0.27 1.83 -7.23 -0.06 -4.98 120.40 112.73 2k39 s VAL 17 Ca 0.54 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.85 2k39 s VAL 17 Cb -0.24 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2k39 s VAL 17 CO 0.22 -0.44 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.89 2k39 s GLU 18 N -3.95 2.06 0.25 4.82 8.01 -1.26 -0.07 118.70 128.56 2k39 s GLU 18 Ca 0.25 -1.54 -0.05 0.00 0.01 0.00 0.00 54.97 53.64 2k39 s GLU 18 Cb 0.06 -2.02 0.31 0.00 -4.31 0.00 0.00 34.13 28.18 2k39 s GLU 18 CO 0.04 0.35 1.90 -1.00 0.01 0.00 0.00 175.26 176.56 2k39 h PRO 19 N 2.07 1.17 0.00 0.39 0.13 -1.99 -3.09 132.00 130.67 2k39 h PRO 19 Ca -0.43 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 19 Cb 1.25 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2k39 h PRO 19 CO 0.60 0.77 0.00 -1.13 -0.23 0.00 0.00 178.00 178.01 2k39 n SER 20 N -4.48 0.72 -4.70 1.44 3.41 -1.26 -2.33 113.62 106.42 2k39 n SER 20 Ca 0.13 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.95 2k39 n SER 20 Cb 0.10 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 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 -4.35 6.64 0.68 4.04 1.01 -1.17 -4.82 116.67 118.70 2k39 s ASP 21 Ca 0.06 2.48 -0.14 0.00 0.71 0.00 0.00 52.55 55.67 2k39 s ASP 21 Cb 0.10 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2k39 s ASP 21 CO 0.46 -0.83 1.10 0.42 0.21 0.00 0.00 175.17 176.54 2k39 s THR 22 N 1.94 3.30 0.36 -1.27 -4.23 -1.26 -2.24 115.64 112.24 2k39 s THR 22 Ca 0.71 0.56 0.08 0.00 -1.18 0.00 0.00 61.69 61.86 2k39 s THR 22 Cb -0.40 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 70.67 2k39 s THR 22 CO 0.31 -0.41 1.89 0.40 -0.54 0.00 0.00 174.62 176.26 2k39 h ILE 23 N -0.20 0.87 -0.65 2.99 5.03 -0.37 -1.71 117.51 123.47 2k39 h ILE 23 Ca -0.46 -0.24 0.14 0.00 -0.12 0.00 0.00 64.86 64.18 2k39 h ILE 23 Cb 1.24 0.10 -0.12 0.00 -3.03 0.00 0.00 36.82 35.02 2k39 h ILE 23 CO 0.54 0.13 -0.05 -0.08 -0.68 0.00 0.00 178.15 178.01 2k39 h GLU 24 N 0.71 0.07 -0.11 2.37 4.81 -1.07 0.22 114.58 121.58 2k39 h GLU 24 Ca 0.42 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.50 2k39 h GLU 24 Cb 0.63 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k39 h GLU 24 CO -0.18 0.05 -0.51 -0.97 -0.73 0.00 0.00 179.01 176.66 2k39 h ASN 25 N 0.08 0.64 -0.27 1.04 -1.24 -1.61 -2.47 115.58 111.75 2k39 h ASN 25 Ca 0.34 -0.64 0.04 0.00 0.71 0.00 0.00 56.30 56.75 2k39 h ASN 25 Cb 0.55 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 2k39 h ASN 25 CO -0.60 1.18 0.19 0.58 -1.29 0.00 0.00 177.43 177.48 2k39 h VAL 26 N 0.15 0.96 -0.64 2.57 2.07 -1.03 0.36 116.25 120.70 2k39 h VAL 26 Ca -0.03 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2k39 h VAL 26 Cb 1.16 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2k39 h VAL 26 CO 0.11 0.03 0.11 0.11 0.02 0.00 0.00 177.57 177.95 2k39 h LYS 27 N 0.19 1.05 0.01 1.57 1.57 -0.52 -0.22 116.57 120.22 2k39 h LYS 27 Ca 0.12 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.43 2k39 h LYS 27 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2k39 h LYS 27 CO -0.02 0.96 -0.92 0.00 -0.57 0.00 0.00 179.45 178.91 2k39 h ALA 28 N 1.12 0.49 0.08 3.86 0.00 -0.87 -0.87 119.26 123.06 2k39 h ALA 28 Ca 0.20 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2k39 h ALA 28 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k39 h ALA 28 CO 0.01 1.04 -0.04 0.87 0.00 0.00 0.00 179.25 181.13 2k39 h LYS 29 N 0.04 -0.11 -0.60 0.00 1.57 -0.21 -1.64 116.57 115.62 2k39 h LYS 29 Ca -0.03 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2k39 h LYS 29 Cb 1.59 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.85 2k39 h LYS 29 CO 0.13 0.06 0.18 0.82 -0.57 0.00 0.00 179.45 180.07 2k39 h ILE 30 N -0.26 0.72 -0.38 1.86 2.04 -0.95 0.21 117.51 120.73 2k39 h ILE 30 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2k39 h ILE 30 Cb 0.22 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2k39 h ILE 30 CO 0.02 0.06 0.09 -0.61 0.00 0.00 0.00 178.15 177.71 2k39 h GLN 31 N 0.34 0.57 -0.08 2.37 -0.00 -1.06 0.38 115.11 117.63 2k39 h GLN 31 Ca 0.31 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.74 2k39 h GLN 31 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 2k39 h GLN 31 CO -0.34 0.52 -0.52 0.22 0.00 0.00 0.00 178.83 178.71 2k39 h ASP 32 N 0.56 0.24 0.58 -0.69 3.58 -0.24 -0.30 116.42 120.15 2k39 h ASP 32 Ca 0.13 -0.12 -0.25 0.00 0.42 0.00 0.00 57.03 57.21 2k39 h ASP 32 Cb 0.22 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k39 h ASP 32 CO -0.00 0.72 -1.10 0.11 -2.88 0.00 0.00 179.24 176.08 2k39 h LYS 33 N 0.17 0.27 0.00 0.28 1.79 -0.14 -3.44 116.57 115.50 2k39 h LYS 33 Ca 0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2k39 h LYS 33 Cb 0.98 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2k39 h LYS 33 CO 0.08 1.14 0.00 -1.91 -1.08 0.00 0.00 179.45 177.68 2k39 n GLU 34 N -3.59 3.98 0.00 3.15 4.07 0.08 -5.08 120.64 123.25 2k39 n GLU 34 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2k39 n GLU 34 Cb 0.94 -0.33 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 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 0.33 3.63 8.31 0.00 -0.13 -4.99 105.19 112.35 2k39 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.38 0.61 -0.61 1.01 -1.26 -4.96 121.20 117.36 2k39 s ILE 36 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.92 2k39 s ILE 36 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2k39 s ILE 36 CO 0.00 -0.15 1.10 -2.16 0.00 0.00 0.00 174.94 173.73 2k39 s PRO 37 N 4.94 3.12 0.42 2.79 0.04 -1.26 -3.99 135.00 141.05 2k39 s PRO 37 Ca 0.82 1.40 0.18 0.00 0.04 0.00 0.00 61.00 63.44 2k39 s PRO 37 Cb -0.31 -1.99 1.10 0.00 0.04 0.00 0.00 34.50 33.33 2k39 s PRO 37 CO 0.33 -1.00 1.85 -1.35 0.04 0.00 0.00 177.00 176.87 2k39 h PRO 38 N 0.50 0.38 0.00 0.56 0.11 -1.96 -2.49 132.00 129.11 2k39 h PRO 38 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2k39 h PRO 38 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k39 h PRO 38 CO 0.56 0.25 -0.56 0.22 -0.21 0.00 0.00 178.00 178.26 2k39 h ASP 39 N 0.40 0.00 0.03 -2.05 3.58 -1.99 -2.93 116.42 113.47 2k39 h ASP 39 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2k39 h ASP 39 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k39 h ASP 39 CO -0.18 0.38 -0.02 0.00 -2.88 0.00 0.00 179.24 176.53 2k39 n GLN 40 N -3.12 1.37 -3.64 0.28 1.13 -0.94 -4.86 117.38 107.59 2k39 n GLN 40 Ca 0.01 -0.63 -0.34 0.00 -1.94 0.00 0.00 57.00 54.10 2k39 n GLN 40 Cb 0.70 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.51 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2k39 s GLN 41 N -2.07 3.69 -0.02 -1.09 -0.21 -1.11 -0.94 119.66 117.92 2k39 s GLN 41 Ca 0.39 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.85 2k39 s GLN 41 Cb 0.21 -3.00 0.01 0.00 1.00 0.00 0.00 33.01 31.24 2k39 s GLN 41 CO 0.37 0.57 -0.01 0.50 -2.12 0.00 0.00 175.29 174.60 2k39 s ARG 42 N -1.97 0.20 -0.05 2.91 3.52 -0.51 -4.99 118.95 118.05 2k39 s ARG 42 Ca 0.33 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.98 2k39 s ARG 42 Cb -0.13 -0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 32.92 2k39 s ARG 42 CO 0.18 -0.05 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.95 2k39 s LEU 43 N 0.52 2.65 -0.05 -0.88 1.43 -1.26 -0.32 118.68 120.77 2k39 s LEU 43 Ca -0.05 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2k39 s LEU 43 Cb -0.08 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.62 2k39 s LEU 43 CO -0.01 0.33 -0.11 -0.63 0.23 0.00 0.00 176.35 176.15 2k39 s ILE 44 N -0.61 1.02 -0.09 -0.59 -1.09 0.15 -1.20 121.20 118.79 2k39 s ILE 44 Ca 0.09 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2k39 s ILE 44 Cb -0.11 -0.93 -0.06 0.00 -1.58 0.00 0.00 42.46 39.78 2k39 s ILE 44 CO 0.01 0.32 -0.06 0.33 -1.23 0.00 0.00 174.94 174.31 2k39 n PHE 45 N 3.64 0.00 0.00 3.97 7.35 -1.26 -1.26 117.46 129.90 2k39 n PHE 45 Ca -0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 2k39 n PHE 45 Cb 0.52 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 40.01 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -2.66 0.00 -0.54 3.13 0.00 -1.26 -4.97 120.51 114.21 2k39 n ALA 46 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.37 2k39 n ALA 46 Cb 0.68 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.39 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 3.76 3.04 2.00 0.00 0.00 -1.26 -5.00 105.19 107.74 2k39 n GLY 47 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2k39 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k39 n LYS 48 N 0.57 0.35 -2.15 1.61 5.02 -1.26 -5.17 118.16 117.14 2k39 n LYS 48 Ca 0.20 -1.83 -0.32 0.00 -2.02 0.00 0.00 58.31 54.34 2k39 n LYS 48 Cb 0.71 1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 37.36 2k39 n LYS 48 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2k39 s GLN 49 N -2.62 3.69 0.04 1.97 -2.07 -1.26 -4.25 119.66 115.16 2k39 s GLN 49 Ca 0.20 0.94 -0.09 0.00 -1.82 0.00 0.00 55.36 54.60 2k39 s GLN 49 Cb 0.00 -2.09 -0.05 0.00 -1.09 0.00 0.00 33.01 29.77 2k39 s GLN 49 CO 0.15 -0.49 0.35 -0.51 -1.32 0.00 0.00 175.29 173.46 2k39 s LEU 50 N -4.53 4.37 -0.20 2.60 1.43 -0.34 -4.96 118.68 117.03 2k39 s LEU 50 Ca 0.59 0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.30 2k39 s LEU 50 Cb -0.11 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 2k39 s LEU 50 CO 0.40 0.22 0.12 -1.61 0.23 0.00 0.00 176.35 175.70 2k39 s GLU 51 N -1.79 4.12 0.23 1.70 2.02 -1.26 -4.67 118.70 119.05 2k39 s GLU 51 Ca 0.30 -0.26 -0.16 0.00 0.02 0.00 0.00 54.97 54.88 2k39 s GLU 51 Cb -0.14 -3.39 0.26 0.00 0.10 0.00 0.00 34.13 30.96 2k39 s GLU 51 CO 0.17 0.26 1.57 -0.44 0.02 0.00 0.00 175.26 176.84 2k39 h ASP 52 N 6.80 -1.14 -0.28 -0.19 5.19 -1.98 -1.99 116.42 122.84 2k39 h ASP 52 Ca -0.40 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2k39 h ASP 52 Cb 1.16 0.63 0.00 0.00 0.18 0.00 0.00 39.33 41.30 2k39 h ASP 52 CO 0.73 -0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.17 2k39 n GLY 53 N -1.49 0.90 3.89 2.75 0.00 -1.26 -0.50 105.19 109.47 2k39 n GLY 53 Ca 0.10 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.64 3.71 0.35 1.61 0.52 -0.75 -4.93 118.95 117.82 2k39 s ARG 54 Ca 0.34 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.62 2k39 s ARG 54 Cb 0.19 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 2k39 s ARG 54 CO 0.28 0.35 0.62 0.95 0.02 0.00 0.00 175.30 177.51 2k39 s THR 55 N -1.81 4.99 0.26 0.02 -4.23 -1.26 -1.72 115.64 111.89 2k39 s THR 55 Ca 0.45 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 2k39 s THR 55 Cb -0.11 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.31 2k39 s THR 55 CO 0.24 -0.49 1.59 -0.07 -0.54 0.00 0.00 174.62 175.35 2k39 h LEU 56 N 1.18 -0.69 -0.98 4.79 3.38 -1.55 -1.69 115.31 119.75 2k39 h LEU 56 Ca -0.48 0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2k39 h LEU 56 Cb 1.20 0.50 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 2k39 h LEU 56 CO 0.64 -0.28 0.62 0.77 0.09 0.00 0.00 178.44 180.28 2k39 h SER 57 N 0.02 0.95 -0.29 -0.43 4.64 -1.75 -0.24 113.55 116.44 2k39 h SER 57 Ca 0.43 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.81 2k39 h SER 57 Cb 0.71 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2k39 h SER 57 CO -0.85 0.55 0.14 0.44 -0.87 0.00 0.00 176.83 176.24 2k39 h ASP 58 N 1.05 0.20 -0.17 4.97 3.32 -1.60 -0.79 116.42 123.40 2k39 h ASP 58 Ca 0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2k39 h ASP 58 Cb 0.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2k39 h ASP 58 CO -0.22 0.15 0.00 -1.22 -1.72 0.00 0.00 179.24 176.23 2k39 n TYR 59 N -4.97 0.21 -2.37 4.55 4.01 -1.19 -4.95 117.16 112.45 2k39 n TYR 59 Ca -0.01 -0.10 -0.06 0.00 -0.16 0.00 0.00 57.90 57.57 2k39 n TYR 59 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.36 -2.62 -4.70 7.72 5.15 -0.17 -4.94 115.26 116.05 2k39 n ASN 60 Ca 0.16 -0.06 -0.42 0.00 -0.60 0.00 0.00 54.58 53.66 2k39 n ASN 60 Cb 0.34 -1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 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 -2.58 3.81 0.31 -1.44 -1.09 -0.76 -4.99 121.20 114.45 2k39 s ILE 61 Ca 0.06 1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 59.69 2k39 s ILE 61 Cb -0.03 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2k39 s ILE 61 CO 0.07 0.05 0.56 -1.10 -1.23 0.00 0.00 174.94 173.30 2k39 s GLN 62 N 1.65 3.61 0.45 2.79 -1.52 -1.26 -4.73 119.66 120.64 2k39 s GLN 62 Ca 0.61 -0.03 -0.22 0.00 -1.95 0.00 0.00 55.36 53.77 2k39 s GLN 62 Cb -0.31 -2.64 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 2k39 s GLN 62 CO 0.27 0.18 0.63 0.36 -0.25 0.00 0.00 175.29 176.49 2k39 n LYS 63 N -1.12 0.70 -1.49 2.91 -0.00 -1.26 -3.53 118.16 114.37 2k39 n LYS 63 Ca -0.02 0.26 -0.17 0.00 -0.00 0.00 0.00 58.31 58.37 2k39 n LYS 63 Cb 0.54 -1.64 -0.07 0.00 -0.00 0.00 0.00 35.03 33.86 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k39 n GLU 64 N 0.38 -1.47 -2.30 -1.58 2.13 0.33 -4.99 120.64 113.15 2k39 n GLU 64 Ca 0.11 1.06 -0.38 0.00 0.66 0.00 0.00 57.16 58.61 2k39 n GLU 64 Cb 0.41 -5.40 -0.02 0.00 0.27 0.00 0.00 31.44 26.70 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k39 s SER 65 N -2.53 6.40 0.06 4.31 0.01 -1.23 -4.71 113.70 116.02 2k39 s SER 65 Ca 0.00 2.31 -0.18 0.00 1.31 0.00 0.00 55.95 59.39 2k39 s SER 65 Cb 0.00 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2k39 s SER 65 CO 0.00 -0.75 0.53 -0.89 0.41 0.00 0.00 173.24 172.54 2k39 s THR 66 N -1.49 4.81 0.02 1.44 2.01 -1.26 -0.01 115.64 121.16 2k39 s THR 66 Ca 0.60 1.11 0.02 0.00 0.31 0.00 0.00 61.69 63.73 2k39 s THR 66 Cb -0.29 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2k39 s THR 66 CO 0.36 0.54 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.06 2k39 s LEU 67 N -1.15 3.42 -0.11 4.42 1.43 0.19 -4.91 118.68 121.97 2k39 s LEU 67 Ca 0.28 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2k39 s LEU 67 Cb -0.19 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2k39 s LEU 67 CO 0.18 0.26 0.04 -1.00 0.23 0.00 0.00 176.35 176.06 2k39 s HIS 68 N -1.10 3.28 -0.21 0.29 3.76 -0.39 0.35 115.29 121.27 2k39 s HIS 68 Ca 0.20 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.36 2k39 s HIS 68 Cb -0.11 -1.88 0.05 0.00 1.11 0.00 0.00 32.58 31.74 2k39 s HIS 68 CO 0.11 0.47 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.20 2k39 s LEU 69 N -0.66 2.37 0.01 0.89 2.96 -0.74 0.34 118.68 123.85 2k39 s LEU 69 Ca 0.11 -0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 52.76 2k39 s LEU 69 Cb -0.12 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2k39 s LEU 69 CO 0.02 -0.17 1.06 -0.69 -1.32 0.00 0.00 176.35 175.25 2k39 s VAL 70 N 1.39 4.59 -0.20 1.68 1.01 0.57 -3.80 120.40 125.64 2k39 s VAL 70 Ca -0.02 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 2k39 s VAL 70 Cb -0.17 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.07 2k39 s VAL 70 CO -0.08 0.13 -0.04 -1.48 0.00 0.00 0.00 175.10 173.63 2k39 s LEU 71 N 1.12 1.97 -0.01 3.92 2.34 -1.26 -1.43 118.68 125.33 2k39 s LEU 71 Ca 0.54 -0.91 -0.05 0.00 0.06 0.00 0.00 54.13 53.77 2k39 s LEU 71 Cb -0.24 -0.99 -0.23 0.00 -0.56 0.00 0.00 46.19 44.18 2k39 s LEU 71 CO 0.28 -0.22 3.41 0.54 -1.06 0.00 0.00 176.35 179.29 2k39 n ARG 72 N 4.81 1.88 -0.47 1.48 1.74 -0.12 -3.39 116.66 122.60 2k39 n ARG 72 Ca -0.12 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 2k39 n ARG 72 Cb 0.46 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k39 n LEU 73 N 2.34 0.00 0.07 0.55 -0.00 -1.26 -4.97 117.00 113.74 2k39 n LEU 73 Ca 0.38 -0.96 -0.22 0.00 -0.00 0.00 0.00 56.01 55.21 2k39 n LEU 73 Cb 0.86 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.13 2k39 n LEU 73 CO 0.11 0.72 -0.20 -0.09 -0.00 0.00 0.00 177.39 177.93 2k39 h ARG 74 N 0.00 0.38 0.00 1.47 1.12 -1.99 -3.48 114.38 111.87 2k39 h ARG 74 Ca 0.00 -0.64 0.00 0.00 -1.11 0.00 0.00 59.98 58.23 2k39 h ARG 74 Cb 1.12 0.24 0.00 0.00 -0.01 0.00 0.00 29.97 31.32 2k39 h ARG 74 CO 0.00 1.31 0.00 0.41 -3.11 0.00 0.00 179.97 178.58 2k39 n GLY 75 N 1.72 1.71 0.00 2.80 0.00 -1.26 -5.24 105.19 104.92 2k39 n GLY 75 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93