#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 4.51 0.21 2.12 0.74 -1.26 -1.50 119.66 124.49 2k39 s GLN 2 Ca 0.00 1.92 -0.02 0.00 0.05 0.00 0.00 55.36 57.31 2k39 s GLN 2 Cb 0.00 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 2k39 s GLN 2 CO 0.00 -0.01 0.18 0.96 -0.55 0.00 0.00 175.29 175.86 2k39 s ILE 3 N -0.59 0.00 -0.03 -2.34 -4.36 -0.69 -1.27 121.20 111.93 2k39 s ILE 3 Ca 0.50 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.01 2k39 s ILE 3 Cb -0.34 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 2k39 s ILE 3 CO 0.41 0.00 -0.23 -0.36 0.24 0.00 0.00 174.94 175.00 2k39 s PHE 4 N -4.08 2.08 -0.17 1.37 0.08 0.54 -0.56 117.98 117.23 2k39 s PHE 4 Ca 0.38 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2k39 s PHE 4 Cb 0.06 -1.34 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2k39 s PHE 4 CO 0.13 -0.07 -0.12 0.08 -0.10 0.00 0.00 175.22 175.14 2k39 s VAL 5 N -0.44 1.58 0.14 -0.44 1.01 -0.80 -0.37 120.40 121.09 2k39 s VAL 5 Ca 0.06 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2k39 s VAL 5 Cb -0.10 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 2k39 s VAL 5 CO 0.00 0.33 1.00 -0.54 0.00 0.00 0.00 175.10 175.88 2k39 s LYS 6 N 1.46 4.69 0.00 2.72 1.02 0.11 -1.68 119.74 128.05 2k39 s LYS 6 Ca 0.02 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.54 2k39 s LYS 6 Cb -0.14 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2k39 s LYS 6 CO -0.10 0.21 0.00 0.25 -0.92 0.00 0.00 175.35 174.79 2k39 n THR 7 N 2.57 0.00 -0.32 2.17 -2.24 -0.29 -1.44 114.28 114.74 2k39 n THR 7 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2k39 n THR 7 Cb 0.48 -1.99 0.08 0.00 -2.10 0.00 0.00 70.33 66.80 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 1.09 -2.69 3.22 3.38 -1.87 -2.46 115.31 115.97 2k39 h LEU 8 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k39 h LEU 8 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2k39 h LEU 8 CO 0.00 0.89 0.00 0.35 0.09 0.00 0.00 178.44 179.77 2k39 n THR 9 N -4.35 0.90 -0.11 0.22 -2.24 -1.26 -5.00 114.28 102.44 2k39 n THR 9 Ca 0.09 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2k39 n THR 9 Cb 0.11 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.34 0.54 3.71 3.38 0.00 -0.93 -5.09 105.19 108.15 2k39 n GLY 10 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.88 4.40 0.14 1.61 2.20 -1.26 -4.59 119.74 121.35 2k39 s LYS 11 Ca 0.00 1.81 -0.29 0.00 -0.36 0.00 0.00 55.97 57.13 2k39 s LYS 11 Cb 0.00 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2k39 s LYS 11 CO 0.00 -0.32 0.91 -0.08 -0.36 0.00 0.00 175.35 175.51 2k39 s THR 12 N 1.25 4.42 -0.21 3.43 -1.32 -1.26 -1.13 115.64 120.81 2k39 s THR 12 Ca 0.60 1.98 -0.02 0.00 -1.21 0.00 0.00 61.69 63.03 2k39 s THR 12 Cb -0.30 -4.28 -0.00 0.00 -1.51 0.00 0.00 72.50 66.41 2k39 s THR 12 CO 0.29 0.39 -0.09 0.27 -2.21 0.00 0.00 174.62 173.26 2k39 s ILE 13 N -0.39 3.01 -0.40 5.08 -4.36 -0.68 -4.96 121.20 118.51 2k39 s ILE 13 Ca 0.43 -0.62 -0.24 0.00 -0.26 0.00 0.00 60.65 59.97 2k39 s ILE 13 Cb -0.24 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.14 2k39 s ILE 13 CO 0.29 0.46 0.83 -0.89 0.24 0.00 0.00 174.94 175.87 2k39 s THR 14 N 1.41 4.65 0.42 8.37 2.01 -1.26 -1.89 115.64 129.35 2k39 s THR 14 Ca 0.05 0.83 0.08 0.00 0.31 0.00 0.00 61.69 62.96 2k39 s THR 14 Cb -0.14 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2k39 s THR 14 CO -0.06 -0.57 0.46 -0.22 -0.69 0.00 0.00 174.62 173.55 2k39 s LEU 15 N 3.30 3.51 -0.07 4.42 2.96 0.27 -4.98 118.68 128.08 2k39 s LEU 15 Ca 0.33 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2k39 s LEU 15 Cb -0.12 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.28 2k39 s LEU 15 CO 0.20 -0.71 -0.05 -1.83 -1.32 0.00 0.00 176.35 172.64 2k39 s GLU 16 N -4.23 1.05 0.03 1.98 1.03 -1.26 -1.70 118.70 115.60 2k39 s GLU 16 Ca 0.51 -0.12 -0.06 0.00 0.03 0.00 0.00 54.97 55.34 2k39 s GLU 16 Cb -0.06 -1.14 -0.01 0.00 -0.80 0.00 0.00 34.13 32.12 2k39 s GLU 16 CO 0.30 -0.18 0.10 0.14 -1.33 0.00 0.00 175.26 174.29 2k39 s VAL 17 N 1.40 0.13 0.28 1.83 -7.23 -0.56 -4.92 120.40 111.33 2k39 s VAL 17 Ca -0.03 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 2k39 s VAL 17 Cb -0.13 -0.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 2k39 s VAL 17 CO -0.03 -0.57 0.63 -0.70 -0.31 0.00 0.00 175.10 174.12 2k39 s GLU 18 N -2.43 3.84 0.54 4.82 2.56 -1.26 0.55 118.70 127.31 2k39 s GLU 18 Ca -0.06 0.38 0.38 0.00 0.00 0.00 0.00 54.97 55.67 2k39 s GLU 18 Cb -0.02 -2.55 1.57 0.00 2.00 0.00 0.00 34.13 35.13 2k39 s GLU 18 CO -0.04 0.22 1.78 -1.35 -0.56 0.00 0.00 175.26 175.31 2k39 h PRO 19 N 2.21 0.00 -0.64 4.30 0.11 -1.95 0.53 132.00 136.57 2k39 h PRO 19 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 19 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k39 h PRO 19 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2k39 n SER 20 N -4.16 3.87 -4.78 -2.05 3.41 -1.26 -0.66 113.62 107.99 2k39 n SER 20 Ca 0.28 -2.23 -0.38 0.00 -0.26 0.00 0.00 58.87 56.28 2k39 n SER 20 Cb 1.32 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.90 7.33 0.92 4.04 1.01 0.18 -4.93 116.67 124.32 2k39 s ASP 21 Ca 0.44 1.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.24 2k39 s ASP 21 Cb 0.26 -2.52 0.19 0.00 1.01 0.00 0.00 42.92 41.86 2k39 s ASP 21 CO 0.25 0.08 1.27 0.42 0.21 0.00 0.00 175.17 177.40 2k39 s THR 22 N -1.38 2.02 -0.33 -1.27 -4.23 -1.26 -2.86 115.64 106.33 2k39 s THR 22 Ca 0.42 -0.09 0.23 0.00 -1.18 0.00 0.00 61.69 61.07 2k39 s THR 22 Cb -0.21 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.73 2k39 s THR 22 CO 0.25 0.00 1.13 0.40 -0.54 0.00 0.00 174.62 175.86 2k39 h ILE 23 N -1.47 0.00 -0.83 2.99 1.08 -1.87 -0.66 117.51 116.75 2k39 h ILE 23 Ca -0.43 -0.90 0.06 0.00 -0.39 0.00 0.00 64.86 63.20 2k39 h ILE 23 Cb 1.24 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 2k39 h ILE 23 CO 0.39 0.00 0.54 -0.08 -0.69 0.00 0.00 178.15 178.31 2k39 h GLU 24 N 0.00 0.90 -0.10 2.37 4.81 -1.95 -1.94 114.58 118.67 2k39 h GLU 24 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k39 h GLU 24 Cb 0.95 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2k39 h GLU 24 CO 0.00 0.60 0.00 0.09 -0.73 0.00 0.00 179.01 178.97 2k39 n ASN 25 N -4.48 0.90 -0.11 1.04 4.13 -0.27 0.18 115.26 116.64 2k39 n ASN 25 Ca 0.12 -1.65 -0.15 0.00 1.68 0.00 0.00 54.58 54.58 2k39 n ASN 25 Cb 0.19 -0.07 -0.12 0.00 -1.54 0.00 0.00 39.78 38.24 2k39 n ASN 25 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2k39 n VAL 26 N -0.16 1.37 0.08 2.41 0.31 -1.06 -4.51 118.33 116.77 2k39 n VAL 26 Ca 0.14 -0.61 -0.12 0.00 -0.01 0.00 0.00 64.34 63.74 2k39 n VAL 26 Cb 0.20 -1.14 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2k39 n VAL 26 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2k39 h LYS 27 N 0.00 -0.29 -0.82 5.55 1.57 -0.30 -1.81 116.57 120.47 2k39 h LYS 27 Ca -0.54 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.46 2k39 h LYS 27 Cb 1.93 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 34.25 2k39 h LYS 27 CO -0.06 -0.20 0.56 0.00 -0.57 0.00 0.00 179.45 179.19 2k39 h ALA 28 N 0.57 2.33 0.00 3.86 0.00 -0.53 0.41 119.26 125.90 2k39 h ALA 28 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2k39 h ALA 28 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k39 h ALA 28 CO -0.11 -0.58 -0.91 0.87 0.00 0.00 0.00 179.25 178.52 2k39 h LYS 29 N 0.29 0.00 -0.43 0.00 1.57 -1.69 -1.70 116.57 114.60 2k39 h LYS 29 Ca 0.41 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.06 2k39 h LYS 29 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2k39 h LYS 29 CO -0.11 0.55 -0.25 0.82 -0.57 0.00 0.00 179.45 179.88 2k39 h ILE 30 N 0.00 1.27 -0.31 1.86 2.04 -0.76 -2.38 117.51 119.23 2k39 h ILE 30 Ca -0.06 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 2k39 h ILE 30 Cb 1.55 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2k39 h ILE 30 CO 0.07 0.48 -0.03 -0.61 0.00 0.00 0.00 178.15 178.06 2k39 h GLN 31 N 0.77 0.49 -0.25 2.37 4.15 -0.92 0.56 115.11 122.28 2k39 h GLN 31 Ca 0.09 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 2k39 h GLN 31 Cb 0.81 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2k39 h GLN 31 CO 0.07 0.54 -0.26 0.22 -1.93 0.00 0.00 178.83 177.47 2k39 h ASP 32 N 0.47 0.49 0.00 -0.69 3.58 -1.05 -2.43 116.42 116.78 2k39 h ASP 32 Ca 0.10 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.21 2k39 h ASP 32 Cb 0.35 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2k39 h ASP 32 CO 0.01 0.74 -2.07 0.29 -2.88 0.00 0.00 179.24 175.34 2k39 n LYS 33 N -4.11 0.83 0.00 0.28 5.02 -0.92 -4.82 118.16 114.44 2k39 n LYS 33 Ca -0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2k39 n LYS 33 Cb 0.41 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k39 n GLU 34 N -2.43 3.53 -0.15 1.97 -0.58 0.12 -5.07 120.64 118.02 2k39 n GLU 34 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2k39 n GLU 34 Cb 0.81 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 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 0.00 0.67 3.73 0.62 0.00 -0.78 -4.95 105.19 104.47 2k39 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.40 3.77 0.15 -0.61 1.01 -1.26 -4.92 121.20 116.94 2k39 s ILE 36 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 2k39 s ILE 36 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 2k39 s ILE 36 CO 0.00 0.17 1.30 -2.16 0.00 0.00 0.00 174.94 174.25 2k39 s PRO 37 N 0.39 4.39 0.55 2.79 0.04 -1.26 -4.11 135.00 137.79 2k39 s PRO 37 Ca 0.56 1.99 0.49 0.00 0.04 0.00 0.00 61.00 64.07 2k39 s PRO 37 Cb -0.31 -3.24 1.72 0.00 0.04 0.00 0.00 34.50 32.71 2k39 s PRO 37 CO 0.33 -0.28 1.58 -1.35 0.04 0.00 0.00 177.00 177.31 2k39 h PRO 38 N 5.98 0.00 -0.47 0.56 0.11 -1.93 -1.68 132.00 134.57 2k39 h PRO 38 Ca -0.43 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2k39 h PRO 38 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k39 h PRO 38 CO 0.80 0.00 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.96 2k39 h ASP 39 N 0.00 0.95 1.59 -2.05 5.19 -1.92 -3.28 116.42 116.90 2k39 h ASP 39 Ca 0.93 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 57.00 2k39 h ASP 39 Cb 3.68 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 42.93 2k39 h ASP 39 CO -0.06 1.11 -0.03 1.56 -3.12 0.00 0.00 179.24 178.70 2k39 h GLN 40 N 0.81 0.00 -6.36 3.56 1.08 -1.55 -2.93 115.11 109.72 2k39 h GLN 40 Ca 0.11 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.77 2k39 h GLN 40 Cb 0.74 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2k39 h GLN 40 CO 0.06 0.00 0.31 -0.65 -0.95 0.00 0.00 178.83 177.59 2k39 s GLN 41 N -3.13 4.55 -0.08 1.46 -0.21 -1.24 0.63 119.66 121.64 2k39 s GLN 41 Ca 0.10 1.31 0.04 0.00 0.02 0.00 0.00 55.36 56.83 2k39 s GLN 41 Cb 0.10 -3.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.67 2k39 s GLN 41 CO 0.62 0.03 -0.22 0.50 -2.12 0.00 0.00 175.29 174.09 2k39 s ARG 42 N 0.77 2.66 -0.12 2.91 3.52 0.60 -4.74 118.95 124.54 2k39 s ARG 42 Ca 0.48 -0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 2k39 s ARG 42 Cb -0.21 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 2k39 s ARG 42 CO 0.26 0.22 0.08 -0.51 -0.81 0.00 0.00 175.30 174.55 2k39 s LEU 43 N 0.21 4.01 0.10 -0.88 1.43 -1.26 -1.10 118.68 121.18 2k39 s LEU 43 Ca -0.13 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2k39 s LEU 43 Cb -0.16 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2k39 s LEU 43 CO 0.06 0.35 -0.24 -0.63 0.23 0.00 0.00 176.35 176.13 2k39 s ILE 44 N -0.68 1.95 -0.21 -0.59 -1.09 -0.77 -1.87 121.20 117.94 2k39 s ILE 44 Ca 0.12 -1.56 -0.10 0.00 -2.23 0.00 0.00 60.65 56.88 2k39 s ILE 44 Cb -0.12 -1.73 0.07 0.00 -1.58 0.00 0.00 42.46 39.10 2k39 s ILE 44 CO 0.02 0.08 0.48 0.12 -1.23 0.00 0.00 174.94 174.42 2k39 s PHE 45 N -1.03 -0.78 -1.68 3.97 5.36 -0.67 -1.76 117.98 121.39 2k39 s PHE 45 Ca 0.10 1.57 -0.18 0.00 -0.96 0.00 0.00 56.93 57.46 2k39 s PHE 45 Cb -0.10 0.38 0.15 0.00 -0.34 0.00 0.00 43.02 43.11 2k39 s PHE 45 CO 0.04 -0.43 0.80 0.00 -1.46 0.00 0.00 175.22 174.18 2k39 n ALA 46 N 4.55 -1.28 0.00 11.12 0.00 -1.26 -2.38 120.51 131.26 2k39 n ALA 46 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k39 n ALA 46 Cb 0.55 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 -1.44 1.78 3.30 0.00 0.00 -1.26 -5.05 105.19 102.52 2k39 n GLY 47 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -0.63 1.28 0.65 1.61 -2.85 -1.00 -5.11 119.74 113.68 2k39 s LYS 48 Ca 0.00 -1.13 -0.15 0.00 -1.00 0.00 0.00 55.97 53.69 2k39 s LYS 48 Cb 0.00 -1.54 -0.01 0.00 -2.06 0.00 0.00 37.83 34.22 2k39 s LYS 48 CO 0.00 0.37 1.09 -1.14 0.10 0.00 0.00 175.35 175.77 2k39 s GLN 49 N -1.71 2.94 -0.14 1.78 2.00 -1.26 -1.67 119.66 121.60 2k39 s GLN 49 Ca 0.08 1.31 -0.03 0.00 -2.00 0.00 0.00 55.36 54.72 2k39 s GLN 49 Cb -0.10 -1.97 0.05 0.00 0.80 0.00 0.00 33.01 31.79 2k39 s GLN 49 CO 0.04 -1.13 0.04 -0.51 -0.50 0.00 0.00 175.29 173.22 2k39 s LEU 50 N -4.83 0.76 0.18 3.68 1.43 -0.78 -4.81 118.68 114.30 2k39 s LEU 50 Ca 0.65 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.38 2k39 s LEU 50 Cb -0.19 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2k39 s LEU 50 CO 0.41 -0.27 -0.20 -0.70 0.23 0.00 0.00 176.35 175.82 2k39 s GLU 51 N 1.97 1.38 0.46 1.70 2.56 -1.26 -4.16 118.70 121.34 2k39 s GLU 51 Ca 0.02 -1.48 -0.24 0.00 0.00 0.00 0.00 54.97 53.28 2k39 s GLU 51 Cb -0.15 -1.50 -0.07 0.00 2.00 0.00 0.00 34.13 34.41 2k39 s GLU 51 CO -0.07 0.31 1.23 -0.51 -0.56 0.00 0.00 175.26 175.66 2k39 s ASP 52 N -2.76 6.07 0.00 -1.70 1.01 -1.26 -3.94 116.67 114.10 2k39 s ASP 52 Ca 0.18 2.47 0.00 0.00 0.71 0.00 0.00 52.55 55.92 2k39 s ASP 52 Cb -0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2k39 s ASP 52 CO 0.08 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.08 2k39 n GLY 53 N 0.57 1.11 1.90 0.21 0.00 -1.26 -5.05 105.19 102.67 2k39 n GLY 53 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2k39 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 n ARG 54 N -0.39 0.48 -4.51 1.61 1.74 -1.25 -5.09 116.66 109.23 2k39 n ARG 54 Ca 0.00 -1.96 -0.25 0.00 -0.77 0.00 0.00 57.85 54.87 2k39 n ARG 54 Cb 0.00 1.33 -0.09 0.00 -1.02 0.00 0.00 32.46 32.68 2k39 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2k39 s THR 55 N -2.61 0.86 0.37 0.55 -4.23 -1.26 -3.58 115.64 105.74 2k39 s THR 55 Ca 0.18 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.78 2k39 s THR 55 Cb 0.01 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.68 2k39 s THR 55 CO 0.12 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 176.04 2k39 h LEU 56 N 1.86 0.61 -0.54 4.79 4.07 -1.43 -2.06 115.31 122.62 2k39 h LEU 56 Ca -0.38 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.51 2k39 h LEU 56 Cb 1.27 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 2k39 h LEU 56 CO 0.63 0.34 -0.44 0.28 -1.08 0.00 0.00 178.44 178.17 2k39 h SER 57 N 0.66 0.00 -0.29 -0.43 0.02 -1.20 -1.27 113.55 111.04 2k39 h SER 57 Ca 0.40 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.20 2k39 h SER 57 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k39 h SER 57 CO -0.16 0.44 -0.39 0.44 -1.14 0.00 0.00 176.83 176.02 2k39 h ASP 58 N 0.00 0.84 1.13 3.07 3.32 -1.67 -3.25 116.42 119.87 2k39 h ASP 58 Ca -0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2k39 h ASP 58 Cb 1.12 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2k39 h ASP 58 CO 0.06 1.17 -0.13 -1.22 -1.72 0.00 0.00 179.24 177.40 2k39 n TYR 59 N -4.16 0.46 -2.18 4.55 4.01 -1.05 -4.96 117.16 113.83 2k39 n TYR 59 Ca -0.04 0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.78 2k39 n TYR 59 Cb 0.53 -0.68 0.03 0.00 -0.31 0.00 0.00 39.34 38.91 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N -1.90 -3.50 -4.95 7.72 4.13 -0.92 -5.06 115.26 110.77 2k39 n ASN 60 Ca 0.06 -0.25 -0.22 0.00 1.68 0.00 0.00 54.58 55.84 2k39 n ASN 60 Cb 0.39 -2.21 -0.02 0.00 -1.54 0.00 0.00 39.78 36.40 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -3.14 5.18 0.00 2.41 1.01 -0.52 -5.06 121.20 121.08 2k39 s ILE 61 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2k39 s ILE 61 Cb -0.02 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2k39 s ILE 61 CO 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 174.94 174.92 2k39 n GLN 62 N -1.22 1.90 -3.36 2.79 10.64 -1.26 -4.81 117.38 122.06 2k39 n GLN 62 Ca -0.09 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.73 2k39 n GLN 62 Cb 0.57 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.89 2k39 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2k39 s LYS 63 N 1.83 3.98 -0.33 2.61 -2.85 -1.26 -4.50 119.74 119.22 2k39 s LYS 63 Ca 0.00 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 2k39 s LYS 63 Cb 0.00 -2.95 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 2k39 s LYS 63 CO 0.00 0.49 0.00 -1.91 0.10 0.00 0.00 175.35 174.03 2k39 n GLU 64 N 0.86 -0.22 -3.13 1.78 2.13 -0.39 -5.00 120.64 116.66 2k39 n GLU 64 Ca -0.06 0.60 -0.39 0.00 0.66 0.00 0.00 57.16 57.97 2k39 n GLU 64 Cb 0.52 -4.22 -0.05 0.00 0.27 0.00 0.00 31.44 27.95 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 -2.94 7.00 -0.18 4.31 0.01 -1.26 -4.85 113.70 115.79 2k39 s SER 65 Ca 0.00 1.20 -0.03 0.00 1.31 0.00 0.00 55.95 58.43 2k39 s SER 65 Cb 0.00 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 2k39 s SER 65 CO 0.00 0.03 -0.07 -0.89 0.41 0.00 0.00 173.24 172.72 2k39 s THR 66 N 0.11 3.39 0.35 1.44 2.01 -1.26 -0.34 115.64 121.36 2k39 s THR 66 Ca 0.34 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2k39 s THR 66 Cb -0.18 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 2k39 s THR 66 CO 0.18 0.47 0.41 -0.76 -0.69 0.00 0.00 174.62 174.23 2k39 s LEU 67 N 0.87 3.73 -0.12 4.42 1.43 0.51 -4.84 118.68 124.68 2k39 s LEU 67 Ca -0.02 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2k39 s LEU 67 Cb -0.15 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2k39 s LEU 67 CO 0.01 -0.47 -0.05 -1.00 0.23 0.00 0.00 176.35 175.07 2k39 s HIS 68 N -2.28 3.01 0.06 0.29 3.76 -0.72 -0.71 115.29 118.70 2k39 s HIS 68 Ca 0.45 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 55.01 2k39 s HIS 68 Cb -0.07 -1.86 -0.07 0.00 1.11 0.00 0.00 32.58 31.69 2k39 s HIS 68 CO 0.29 0.12 0.54 -1.17 -0.85 0.00 0.00 174.74 173.68 2k39 s LEU 69 N -0.12 4.51 0.13 0.89 1.98 -0.52 -1.86 118.68 123.69 2k39 s LEU 69 Ca 0.02 1.20 0.06 0.00 -2.89 0.00 0.00 54.13 52.52 2k39 s LEU 69 Cb -0.13 -2.86 -0.04 0.00 0.66 0.00 0.00 46.19 43.82 2k39 s LEU 69 CO 0.03 0.28 -0.13 0.68 -1.89 0.00 0.00 176.35 175.31 2k39 s VAL 70 N -1.12 1.30 -0.13 1.68 -7.23 -0.26 -4.33 120.40 110.30 2k39 s VAL 70 Ca 0.28 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 2k39 s VAL 70 Cb -0.19 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2k39 s VAL 70 CO 0.18 -0.51 0.93 -0.22 -0.31 0.00 0.00 175.10 175.17 2k39 s LEU 71 N -2.67 4.22 -0.31 1.32 2.96 -1.26 -0.29 118.68 122.65 2k39 s LEU 71 Ca 0.11 1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 55.31 2k39 s LEU 71 Cb -0.03 -3.41 0.19 0.00 0.50 0.00 0.00 46.19 43.44 2k39 s LEU 71 CO 0.03 -0.42 1.00 -0.60 -1.32 0.00 0.00 176.35 175.03 2k39 s ARG 72 N 2.05 0.20 -0.24 1.98 3.00 0.20 -4.91 118.95 121.24 2k39 s ARG 72 Ca 0.44 0.12 -0.29 0.00 -1.00 0.00 0.00 55.73 55.00 2k39 s ARG 72 Cb -0.17 0.07 -0.03 0.00 0.00 0.00 0.00 34.95 34.82 2k39 s ARG 72 CO 0.15 -0.35 1.81 -1.17 0.00 0.00 0.00 175.30 175.74 2k39 s LEU 73 N 2.73 3.71 0.17 -0.88 0.20 -1.26 -4.24 118.68 119.12 2k39 s LEU 73 Ca 0.24 1.63 0.00 0.00 0.69 0.00 0.00 54.13 56.69 2k39 s LEU 73 Cb -0.02 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2k39 s LEU 73 CO -0.21 -1.53 0.00 -1.14 -0.29 0.00 0.00 176.35 173.18 2k39 n ARG 74 N 8.13 0.00 0.00 1.98 0.00 -1.24 -5.05 116.66 120.47 2k39 n ARG 74 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 2k39 n ARG 74 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k39 n GLY 75 N 1.15 0.78 0.00 5.14 0.00 -1.11 -5.06 105.19 106.09 2k39 n GLY 75 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93