#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 3.33 0.07 3.17 -0.21 -1.26 -0.61 119.66 124.16 2k39 s GLN 2 Ca 0.00 1.37 -0.07 0.00 0.02 0.00 0.00 55.36 56.69 2k39 s GLN 2 Cb 0.00 -2.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 2k39 s GLN 2 CO 0.00 -0.82 0.14 0.96 -2.12 0.00 0.00 175.29 173.45 2k39 s ILE 3 N -2.16 0.15 -0.20 1.08 -5.25 -0.37 -0.75 121.20 113.70 2k39 s ILE 3 Ca 0.67 -1.26 0.01 0.00 -0.99 0.00 0.00 60.65 59.08 2k39 s ILE 3 Cb -0.19 -1.29 0.03 0.00 2.95 0.00 0.00 42.46 43.96 2k39 s ILE 3 CO 0.32 -0.70 -0.16 -0.36 -1.79 0.00 0.00 174.94 172.24 2k39 s PHE 4 N -3.61 2.90 -0.31 1.37 0.08 -0.22 -1.78 117.98 116.40 2k39 s PHE 4 Ca 0.03 -1.73 -0.11 0.00 0.12 0.00 0.00 56.93 55.24 2k39 s PHE 4 Cb 0.04 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2k39 s PHE 4 CO -0.09 -0.80 0.20 0.08 -0.10 0.00 0.00 175.22 174.50 2k39 s VAL 5 N 1.27 5.16 -0.10 -0.44 1.01 -0.17 -1.51 120.40 125.62 2k39 s VAL 5 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2k39 s VAL 5 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2k39 s VAL 5 CO -0.10 0.12 -0.05 -0.75 0.00 0.00 0.00 175.10 174.32 2k39 s LYS 6 N 1.72 3.11 0.79 2.72 2.47 -0.61 0.13 119.74 130.08 2k39 s LYS 6 Ca 0.06 -0.52 -0.08 0.00 -1.56 0.00 0.00 55.97 53.87 2k39 s LYS 6 Cb -0.17 -2.73 0.12 0.00 -1.46 0.00 0.00 37.83 33.59 2k39 s LYS 6 CO 0.10 0.53 1.11 0.95 0.16 0.00 0.00 175.35 178.20 2k39 s THR 7 N -0.42 2.14 -2.54 3.43 -4.23 -0.43 -4.68 115.64 108.91 2k39 s THR 7 Ca 0.07 -0.25 0.26 0.00 -1.18 0.00 0.00 61.69 60.59 2k39 s THR 7 Cb -0.12 -2.89 0.48 0.00 1.34 0.00 0.00 72.50 71.31 2k39 s THR 7 CO 0.02 0.00 1.64 0.18 -0.54 0.00 0.00 174.62 175.92 2k39 n LEU 8 N -3.18 1.78 -0.64 4.79 4.77 -1.26 -3.13 117.00 120.13 2k39 n LEU 8 Ca 0.12 -0.62 0.08 0.00 -0.03 0.00 0.00 56.01 55.56 2k39 n LEU 8 Cb 0.60 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 2k39 n LEU 8 CO 0.48 0.31 0.51 0.35 -1.33 0.00 0.00 177.39 177.71 2k39 n THR 9 N 0.39 0.09 0.00 -5.08 -2.24 -1.26 -5.01 114.28 101.17 2k39 n THR 9 Ca 0.18 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2k39 n THR 9 Cb 0.39 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.87 1.43 3.76 3.38 0.00 -1.18 -5.06 105.19 108.38 2k39 n GLY 10 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2k39 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 11 N -0.06 3.57 -0.16 1.61 1.02 -1.26 -4.75 119.74 119.70 2k39 s LYS 11 Ca 0.00 2.24 0.01 0.00 0.02 0.00 0.00 55.97 58.24 2k39 s LYS 11 Cb 0.00 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2k39 s LYS 11 CO 0.00 -0.85 -0.18 0.99 -0.92 0.00 0.00 175.35 174.39 2k39 s THR 12 N -1.28 2.30 -0.09 2.17 2.01 -1.26 -1.32 115.64 118.17 2k39 s THR 12 Ca 0.64 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 2k39 s THR 12 Cb -0.40 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2k39 s THR 12 CO 0.50 0.53 0.37 -0.63 -0.69 0.00 0.00 174.62 174.70 2k39 s ILE 13 N 1.03 5.18 -0.38 1.82 1.01 0.12 -4.97 121.20 125.01 2k39 s ILE 13 Ca -0.01 0.74 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 2k39 s ILE 13 Cb -0.14 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2k39 s ILE 13 CO -0.05 0.46 0.23 -0.89 0.00 0.00 0.00 174.94 174.69 2k39 s THR 14 N -0.16 4.79 0.26 2.92 2.01 -1.26 -1.00 115.64 123.20 2k39 s THR 14 Ca 0.21 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.50 2k39 s THR 14 Cb -0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2k39 s THR 14 CO 0.09 -0.25 0.15 -0.76 -0.69 0.00 0.00 174.62 173.16 2k39 s LEU 15 N 1.59 3.65 -0.16 4.42 2.01 -0.73 -5.01 118.68 124.45 2k39 s LEU 15 Ca 0.03 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 53.80 2k39 s LEU 15 Cb -0.19 -2.18 0.04 0.00 0.01 0.00 0.00 46.19 43.86 2k39 s LEU 15 CO 0.08 -0.05 -0.07 -1.83 1.01 0.00 0.00 176.35 175.48 2k39 s GLU 16 N -3.81 1.62 0.19 1.70 4.04 -1.26 -1.23 118.70 119.94 2k39 s GLU 16 Ca 0.33 -0.55 0.04 0.00 0.04 0.00 0.00 54.97 54.83 2k39 s GLU 16 Cb -0.07 -2.04 -0.05 0.00 0.02 0.00 0.00 34.13 31.99 2k39 s GLU 16 CO 0.24 -0.40 -0.06 0.14 -1.84 0.00 0.00 175.26 173.34 2k39 s VAL 17 N 1.59 1.13 0.15 1.83 -7.23 0.22 -4.85 120.40 113.23 2k39 s VAL 17 Ca 0.01 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2k39 s VAL 17 Cb -0.15 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2k39 s VAL 17 CO -0.08 -0.54 0.22 -1.61 -0.31 0.00 0.00 175.10 172.78 2k39 s GLU 18 N -3.80 3.24 0.40 4.82 0.41 -1.26 -0.15 118.70 122.36 2k39 s GLU 18 Ca 0.22 -0.68 0.15 0.00 -0.41 0.00 0.00 54.97 54.25 2k39 s GLU 18 Cb 0.04 -2.85 0.83 0.00 -1.78 0.00 0.00 34.13 30.37 2k39 s GLU 18 CO 0.05 0.51 1.87 -1.00 -0.49 0.00 0.00 175.26 176.20 2k39 h PRO 19 N 2.31 0.00 0.00 0.39 0.13 -1.94 -0.88 132.00 132.00 2k39 h PRO 19 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k39 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k39 h PRO 19 CO 0.67 0.32 0.00 -1.13 -0.23 0.00 0.00 178.00 177.63 2k39 n SER 20 N -4.07 0.00 -4.75 1.44 3.41 -1.26 -1.76 113.62 106.64 2k39 n SER 20 Ca -0.02 -0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2k39 n SER 20 Cb 0.37 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 6.94 0.87 4.04 1.01 -0.34 -4.87 116.67 122.09 2k39 s ASP 21 Ca 0.06 2.41 -0.13 0.00 0.71 0.00 0.00 52.55 55.61 2k39 s ASP 21 Cb 0.03 -2.62 0.11 0.00 1.01 0.00 0.00 42.92 41.46 2k39 s ASP 21 CO 0.06 -0.46 1.18 0.42 0.21 0.00 0.00 175.17 176.58 2k39 s THR 22 N -0.28 1.99 0.01 -1.27 -4.23 -1.26 -1.69 115.64 108.91 2k39 s THR 22 Ca 0.53 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.83 2k39 s THR 22 Cb -0.36 -2.90 -0.19 0.00 1.34 0.00 0.00 72.50 70.40 2k39 s THR 22 CO 0.41 0.00 1.21 0.40 -0.54 0.00 0.00 174.62 176.10 2k39 h ILE 23 N -1.30 1.41 -0.97 2.99 2.04 -1.87 -1.15 117.51 118.68 2k39 h ILE 23 Ca -0.47 -1.64 0.30 0.00 1.00 0.00 0.00 64.86 64.04 2k39 h ILE 23 Cb 1.32 2.26 -0.17 0.00 -0.74 0.00 0.00 36.82 39.49 2k39 h ILE 23 CO 0.62 0.47 0.23 -0.08 0.00 0.00 0.00 178.15 179.39 2k39 h GLU 24 N -0.15 0.07 -0.53 2.37 4.81 -1.95 0.67 114.58 119.87 2k39 h GLU 24 Ca -0.01 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2k39 h GLU 24 Cb 0.90 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2k39 h GLU 24 CO 0.06 0.04 0.17 -0.91 -0.73 0.00 0.00 179.01 177.64 2k39 h ASN 25 N 0.07 0.77 1.20 1.04 2.35 -1.69 0.21 115.58 119.53 2k39 h ASN 25 Ca 0.66 -0.20 -0.16 0.00 -0.55 0.00 0.00 56.30 56.04 2k39 h ASN 25 Cb 1.48 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 2k39 h ASN 25 CO -0.81 0.77 -0.78 0.58 -1.65 0.00 0.00 177.43 175.55 2k39 h VAL 26 N 0.74 1.35 -0.19 2.81 2.07 -0.30 -1.50 116.25 121.23 2k39 h VAL 26 Ca 0.17 -2.89 -0.11 0.00 0.82 0.00 0.00 66.70 64.69 2k39 h VAL 26 Cb 0.27 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2k39 h VAL 26 CO -0.01 0.77 -0.37 0.11 0.02 0.00 0.00 177.57 178.09 2k39 h LYS 27 N 0.00 0.40 0.00 1.57 1.57 -0.79 0.16 116.57 119.48 2k39 h LYS 27 Ca -0.01 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 2k39 h LYS 27 Cb 1.59 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 2k39 h LYS 27 CO 0.10 0.72 -0.59 0.00 -0.57 0.00 0.00 179.45 179.11 2k39 h ALA 28 N 1.27 0.64 -0.27 3.86 0.00 -0.49 -2.71 119.26 121.56 2k39 h ALA 28 Ca 0.04 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2k39 h ALA 28 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k39 h ALA 28 CO 0.06 0.74 -0.58 0.87 0.00 0.00 0.00 179.25 180.35 2k39 h LYS 29 N 0.00 0.85 -0.13 0.00 1.57 -1.02 -2.66 116.57 115.18 2k39 h LYS 29 Ca -0.01 -0.55 -0.21 0.00 -1.87 0.00 0.00 60.65 58.01 2k39 h LYS 29 Cb 1.42 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2k39 h LYS 29 CO 0.08 1.18 -0.75 0.82 -0.57 0.00 0.00 179.45 180.21 2k39 h ILE 30 N 0.64 1.32 -0.50 1.86 2.04 -0.79 -3.19 117.51 118.89 2k39 h ILE 30 Ca 0.01 -2.03 0.03 0.00 1.00 0.00 0.00 64.86 63.86 2k39 h ILE 30 Cb 1.18 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 2k39 h ILE 30 CO 0.13 0.63 0.29 -0.61 0.00 0.00 0.00 178.15 178.59 2k39 h GLN 31 N 0.43 0.56 -0.69 2.37 -0.00 -1.46 -0.58 115.11 115.74 2k39 h GLN 31 Ca -0.04 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.65 2k39 h GLN 31 Cb 1.35 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 28.67 2k39 h GLN 31 CO 0.14 0.37 0.45 0.22 0.00 0.00 0.00 178.83 180.02 2k39 h ASP 32 N 0.57 0.57 0.22 -0.69 3.58 -1.51 0.43 116.42 119.59 2k39 h ASP 32 Ca 0.20 0.01 -0.35 0.00 0.42 0.00 0.00 57.03 57.31 2k39 h ASP 32 Cb 0.04 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2k39 h ASP 32 CO -0.10 0.36 -1.79 0.11 -2.88 0.00 0.00 179.24 174.94 2k39 h LYS 33 N 0.64 0.33 0.00 0.28 1.79 -1.45 -3.43 116.57 114.74 2k39 h LYS 33 Ca 0.30 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2k39 h LYS 33 Cb 0.35 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2k39 h LYS 33 CO -0.10 1.24 -0.97 -1.91 -1.08 0.00 0.00 179.45 176.62 2k39 n GLU 34 N -3.53 2.14 0.00 3.15 4.07 -0.26 -5.07 120.64 121.15 2k39 n GLU 34 Ca -0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.85 2k39 n GLU 34 Cb 1.06 -0.99 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 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 2.70 1.18 3.65 8.31 0.00 0.15 -5.03 105.19 116.15 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 -2.28 3.39 0.30 -0.61 1.01 -1.26 -4.94 121.20 116.80 2k39 s ILE 36 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 2k39 s ILE 36 Cb 0.00 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 2k39 s ILE 36 CO 0.00 -0.07 1.04 -2.16 0.00 0.00 0.00 174.94 173.74 2k39 s PRO 37 N 4.43 4.60 0.14 2.79 0.04 -1.26 -4.18 135.00 141.57 2k39 s PRO 37 Ca 0.80 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.42 2k39 s PRO 37 Cb -0.35 -3.06 0.23 0.00 0.04 0.00 0.00 34.50 31.36 2k39 s PRO 37 CO 0.33 0.23 0.80 -2.30 0.04 0.00 0.00 177.00 176.10 2k39 n PRO 38 N 0.98 -0.05 -0.34 0.56 -0.02 -1.26 -0.83 135.00 134.04 2k39 n PRO 38 Ca 0.00 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2k39 n PRO 38 Cb 0.47 -1.19 0.26 0.00 -0.02 0.00 0.00 33.50 33.02 2k39 n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k39 h ASP 39 N 0.00 0.77 1.10 2.55 3.04 -1.98 -3.12 116.42 118.79 2k39 h ASP 39 Ca 0.24 0.08 -0.14 0.00 -3.24 0.00 0.00 57.03 53.96 2k39 h ASP 39 Cb 0.37 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 38.57 2k39 h ASP 39 CO -0.52 0.35 -0.95 -0.61 -2.04 0.00 0.00 179.24 175.46 2k39 h GLN 40 N 0.82 0.00 -6.35 4.15 4.15 -1.24 -3.44 115.11 113.19 2k39 h GLN 40 Ca 0.51 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 59.40 2k39 h GLN 40 Cb 0.66 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k39 h GLN 40 CO -0.33 0.45 1.12 -0.65 -1.93 0.00 0.00 178.83 177.49 2k39 s GLN 41 N -2.92 4.17 -0.18 1.69 -0.21 -1.09 -0.94 119.66 120.18 2k39 s GLN 41 Ca 0.01 2.39 -0.08 0.00 0.02 0.00 0.00 55.36 57.69 2k39 s GLN 41 Cb 0.08 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.12 2k39 s GLN 41 CO 0.78 -0.86 0.10 1.03 -2.12 0.00 0.00 175.29 174.23 2k39 s ARG 42 N 3.78 3.96 -0.10 2.91 0.52 -0.09 -4.92 118.95 125.00 2k39 s ARG 42 Ca 0.79 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.71 2k39 s ARG 42 Cb -0.39 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 2k39 s ARG 42 CO 0.35 0.38 0.04 -0.51 0.02 0.00 0.00 175.30 175.57 2k39 s LEU 43 N 0.11 3.80 -0.08 2.53 1.43 -1.26 -2.33 118.68 122.87 2k39 s LEU 43 Ca 0.08 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2k39 s LEU 43 Cb -0.12 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2k39 s LEU 43 CO -0.00 0.37 -0.10 -0.63 0.23 0.00 0.00 176.35 176.22 2k39 s ILE 44 N -0.81 1.06 -0.14 -0.59 1.01 -1.26 -2.78 121.20 117.69 2k39 s ILE 44 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2k39 s ILE 44 Cb -0.12 -1.01 0.05 0.00 0.01 0.00 0.00 42.46 41.39 2k39 s ILE 44 CO 0.03 0.35 0.34 0.12 0.00 0.00 0.00 174.94 175.78 2k39 s PHE 45 N 1.10 -0.48 -1.41 3.97 2.19 -0.71 -4.72 117.98 117.92 2k39 s PHE 45 Ca -0.06 1.07 -0.04 0.00 0.33 0.00 0.00 56.93 58.23 2k39 s PHE 45 Cb -0.14 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.74 2k39 s PHE 45 CO -0.01 -0.29 0.47 0.00 1.83 0.00 0.00 175.22 177.22 2k39 n ALA 46 N 4.09 -0.82 0.00 11.12 0.00 -1.26 -2.18 120.51 131.46 2k39 n ALA 46 Ca -0.23 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k39 n ALA 46 Cb 0.55 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 -1.39 2.90 3.75 0.00 0.00 -1.26 -5.02 105.19 104.17 2k39 n GLY 47 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.07 4.81 -0.17 1.61 1.02 -0.93 -5.04 119.74 120.97 2k39 s LYS 48 Ca 0.00 1.53 -0.22 0.00 0.02 0.00 0.00 55.97 57.30 2k39 s LYS 48 Cb 0.00 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2k39 s LYS 48 CO 0.00 0.43 0.69 -0.65 -0.92 0.00 0.00 175.35 174.90 2k39 s GLN 49 N -1.05 4.27 0.03 1.68 -0.21 -1.26 -1.74 119.66 121.40 2k39 s GLN 49 Ca 0.42 0.75 -0.22 0.00 0.02 0.00 0.00 55.36 56.33 2k39 s GLN 49 Cb -0.26 -3.55 -0.06 0.00 1.00 0.00 0.00 33.01 30.14 2k39 s GLN 49 CO 0.33 -0.20 0.67 -0.51 -2.12 0.00 0.00 175.29 173.46 2k39 s LEU 50 N 1.74 4.45 0.07 2.90 1.43 -1.12 -5.03 118.68 123.12 2k39 s LEU 50 Ca 0.32 1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 54.48 2k39 s LEU 50 Cb -0.16 -3.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 2k39 s LEU 50 CO 0.12 0.09 0.82 -0.70 0.23 0.00 0.00 176.35 176.91 2k39 s GLU 51 N -0.29 4.55 0.34 1.70 2.12 -1.26 -4.93 118.70 120.93 2k39 s GLU 51 Ca 0.34 1.18 -0.28 0.00 0.36 0.00 0.00 54.97 56.57 2k39 s GLU 51 Cb -0.20 -3.36 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 2k39 s GLU 51 CO 0.20 0.27 1.18 -0.51 -0.54 0.00 0.00 175.26 175.87 2k39 s ASP 52 N -0.07 6.87 0.00 -1.70 1.01 -1.26 -3.60 116.67 117.92 2k39 s ASP 52 Ca 0.41 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.08 2k39 s ASP 52 Cb -0.21 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2k39 s ASP 52 CO 0.25 -0.44 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2k39 n GLY 53 N 0.87 2.03 3.83 0.21 0.00 -1.26 -5.08 105.19 105.80 2k39 n GLY 53 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.41 4.11 0.47 1.61 0.52 -1.24 -4.88 118.95 119.13 2k39 s ARG 54 Ca 0.00 0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 55.83 2k39 s ARG 54 Cb 0.00 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 2k39 s ARG 54 CO 0.00 0.37 0.82 0.95 0.02 0.00 0.00 175.30 177.46 2k39 s THR 55 N -1.60 4.82 0.13 0.02 -4.23 -1.26 -2.89 115.64 110.64 2k39 s THR 55 Ca 0.44 0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 61.17 2k39 s THR 55 Cb -0.15 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 2k39 s THR 55 CO 0.20 -0.76 1.63 -0.07 -0.54 0.00 0.00 174.62 175.08 2k39 h LEU 56 N 0.57 -0.77 -1.47 4.79 3.38 -1.38 -2.59 115.31 117.84 2k39 h LEU 56 Ca -0.47 0.11 0.49 0.00 0.09 0.00 0.00 57.88 58.11 2k39 h LEU 56 Cb 1.20 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 42.14 2k39 h LEU 56 CO 0.62 -0.32 0.97 -0.24 0.09 0.00 0.00 178.44 179.57 2k39 n SER 57 N -5.37 0.17 -0.07 -0.43 2.88 -0.72 -1.14 113.62 108.94 2k39 n SER 57 Ca -0.04 1.31 -0.13 0.00 -1.33 0.00 0.00 58.87 58.68 2k39 n SER 57 Cb 0.29 -0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 2k39 n SER 57 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k39 h ASP 58 N 0.00 0.58 -0.36 -3.46 1.82 -1.78 -3.28 116.42 109.94 2k39 h ASP 58 Ca 0.89 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2k39 h ASP 58 Cb 2.98 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 42.83 2k39 h ASP 58 CO -0.39 0.96 0.00 -1.22 -1.61 0.00 0.00 179.24 176.98 2k39 n TYR 59 N -4.38 0.47 -0.79 0.28 4.01 -0.95 -4.93 117.16 110.87 2k39 n TYR 59 Ca -0.05 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2k39 n TYR 59 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.99 -1.89 -4.55 7.72 5.15 -0.29 -4.91 115.26 117.48 2k39 n ASN 60 Ca 0.18 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.76 2k39 n ASN 60 Cb 0.47 -0.35 -0.03 0.00 -0.53 0.00 0.00 39.78 39.34 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 -2.00 3.67 0.62 -1.44 1.01 -1.08 -4.98 121.20 117.00 2k39 s ILE 61 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 2k39 s ILE 61 Cb 0.00 -4.73 -0.02 0.00 0.01 0.00 0.00 42.46 37.72 2k39 s ILE 61 CO 0.00 -1.67 0.99 -1.10 0.00 0.00 0.00 174.94 173.16 2k39 s GLN 62 N 5.92 3.30 0.16 2.79 -1.52 -1.26 -4.54 119.66 124.51 2k39 s GLN 62 Ca 0.43 0.48 -0.33 0.00 -1.95 0.00 0.00 55.36 53.99 2k39 s GLN 62 Cb -0.08 -2.14 -0.16 0.00 -0.22 0.00 0.00 33.01 30.42 2k39 s GLN 62 CO 0.12 -0.66 1.22 0.36 -0.25 0.00 0.00 175.29 176.09 2k39 n LYS 63 N -2.72 1.26 -1.53 2.91 2.85 -1.26 -3.49 118.16 116.18 2k39 n LYS 63 Ca 0.05 0.45 -0.16 0.00 -1.05 0.00 0.00 58.31 57.61 2k39 n LYS 63 Cb 0.56 -1.99 -0.06 0.00 -0.65 0.00 0.00 35.03 32.88 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N 1.94 -1.11 -2.06 -1.58 1.02 0.07 -5.01 120.64 113.91 2k39 n GLU 64 Ca 0.15 1.03 -0.36 0.00 -0.02 0.00 0.00 57.16 57.96 2k39 n GLU 64 Cb 0.24 -5.21 0.03 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.79 5.29 -0.18 1.62 0.01 -1.23 -4.77 113.70 111.66 2k39 s SER 65 Ca 0.00 2.36 -0.05 0.00 1.31 0.00 0.00 55.95 59.57 2k39 s SER 65 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2k39 s SER 65 CO 0.00 -1.52 0.00 -0.89 0.41 0.00 0.00 173.24 171.24 2k39 s THR 66 N -1.61 4.17 0.28 1.44 2.01 -1.26 -1.06 115.64 119.61 2k39 s THR 66 Ca 0.76 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.54 2k39 s THR 66 Cb -0.29 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2k39 s THR 66 CO 0.32 0.46 0.32 0.00 -0.69 0.00 0.00 174.62 175.04 2k39 n LEU 67 N 3.73 0.00 -4.39 4.42 -0.00 -0.57 -5.01 117.00 115.18 2k39 n LEU 67 Ca -0.17 -2.45 -0.20 0.00 -0.00 0.00 0.00 56.01 53.19 2k39 n LEU 67 Cb 0.52 1.75 -0.10 0.00 -0.00 0.00 0.00 43.42 45.59 2k39 n LEU 67 CO 0.33 -0.49 -0.31 -1.38 -0.00 0.00 0.00 177.39 175.54 2k39 s HIS 68 N -3.20 1.79 -0.05 1.47 -3.43 -1.26 -1.57 115.29 109.05 2k39 s HIS 68 Ca 0.28 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 2k39 s HIS 68 Cb 0.00 -1.09 0.03 0.00 -1.43 0.00 0.00 32.58 30.09 2k39 s HIS 68 CO 0.20 0.04 -0.02 -1.17 -2.00 0.00 0.00 174.74 171.79 2k39 s LEU 69 N -3.40 1.04 -0.48 5.38 2.96 -1.26 -4.44 118.68 118.48 2k39 s LEU 69 Ca 0.32 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.99 2k39 s LEU 69 Cb 0.06 -0.37 0.08 0.00 0.50 0.00 0.00 46.19 46.46 2k39 s LEU 69 CO 0.12 -0.11 0.44 -0.69 -1.32 0.00 0.00 176.35 174.79 2k39 s VAL 70 N 1.27 5.18 -1.00 1.68 1.01 -0.98 -5.00 120.40 122.56 2k39 s VAL 70 Ca -0.06 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 2k39 s VAL 70 Cb -0.13 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 2k39 s VAL 70 CO -0.02 -0.64 1.97 0.18 0.00 0.00 0.00 175.10 176.59 2k39 n LEU 71 N 5.35 2.38 -4.22 3.92 4.32 -1.26 -0.92 117.00 126.58 2k39 n LEU 71 Ca -0.12 -2.76 -0.38 0.00 -0.02 0.00 0.00 56.01 52.73 2k39 n LEU 71 Cb 0.44 -1.56 -0.03 0.00 -1.62 0.00 0.00 43.42 40.64 2k39 n LEU 71 CO 0.49 -2.35 1.98 -1.14 -1.22 0.00 0.00 177.39 175.15 2k39 n ARG 72 N 8.07 2.25 -0.02 3.23 0.63 -0.11 -4.81 116.66 125.89 2k39 n ARG 72 Ca 0.44 -2.58 0.00 0.00 -0.92 0.00 0.00 57.85 54.79 2k39 n ARG 72 Cb 0.46 -3.41 0.01 0.00 0.45 0.00 0.00 32.46 29.97 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2k39 n LEU 73 N 9.71 0.38 -4.75 6.15 -0.00 -1.26 -4.56 117.00 122.66 2k39 n LEU 73 Ca 0.48 -0.19 -0.38 0.00 -0.00 0.00 0.00 56.01 55.92 2k39 n LEU 73 Cb 0.44 -0.14 -0.06 0.00 -0.00 0.00 0.00 43.42 43.66 2k39 n LEU 73 CO 0.82 0.09 0.22 -0.60 -0.00 0.00 0.00 177.39 177.92 2k39 s ARG 74 N -1.74 4.28 -0.64 1.47 3.52 -1.26 -5.04 118.95 119.54 2k39 s ARG 74 Ca 0.02 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 56.24 2k39 s ARG 74 Cb 0.01 -3.37 0.16 0.00 -1.56 0.00 0.00 34.95 30.18 2k39 s ARG 74 CO 0.01 0.30 0.42 0.20 -0.81 0.00 0.00 175.30 175.42 2k39 s GLY 75 N 0.10 2.70 0.00 8.12 0.00 -1.26 -5.05 107.32 111.93 2k39 s GLY 75 Ca 0.28 -3.59 0.00 0.00 0.00 0.00 0.00 44.72 41.41 2k39 s GLY 75 CO 0.14 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.97