#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 4.23 -0.04 2.12 2.00 -1.26 -1.10 119.66 125.61 2k39 s GLN 2 Ca 0.00 0.43 0.06 0.00 -2.00 0.00 0.00 55.36 53.85 2k39 s GLN 2 Cb 0.00 -3.53 -0.01 0.00 0.80 0.00 0.00 33.01 30.27 2k39 s GLN 2 CO 0.00 -0.08 -0.23 0.96 -0.50 0.00 0.00 175.29 175.44 2k39 s ILE 3 N 1.40 1.84 -0.06 -2.34 -4.36 -1.15 -0.99 121.20 115.55 2k39 s ILE 3 Ca 0.25 -0.97 -0.19 0.00 -0.26 0.00 0.00 60.65 59.48 2k39 s ILE 3 Cb -0.15 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2k39 s ILE 3 CO 0.10 0.52 0.53 -0.36 0.24 0.00 0.00 174.94 175.96 2k39 s PHE 4 N -0.25 3.61 -0.27 1.37 0.08 -0.26 -2.29 117.98 119.97 2k39 s PHE 4 Ca 0.01 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.11 2k39 s PHE 4 Cb -0.12 -2.56 0.05 0.00 -0.57 0.00 0.00 43.02 39.83 2k39 s PHE 4 CO 0.02 0.29 -0.07 0.08 -0.10 0.00 0.00 175.22 175.44 2k39 s VAL 5 N 0.11 2.54 -0.01 -0.44 1.01 -0.47 -1.53 120.40 121.61 2k39 s VAL 5 Ca 0.28 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 2k39 s VAL 5 Cb -0.17 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2k39 s VAL 5 CO 0.14 -0.03 0.25 -0.75 0.00 0.00 0.00 175.10 174.71 2k39 s LYS 6 N 1.18 3.57 0.10 2.72 2.20 0.11 -0.63 119.74 128.99 2k39 s LYS 6 Ca -0.06 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2k39 s LYS 6 Cb -0.19 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2k39 s LYS 6 CO -0.04 0.67 -0.10 0.95 -0.36 0.00 0.00 175.35 176.48 2k39 s THR 7 N -1.24 3.36 0.46 3.43 -4.23 0.47 -1.93 115.64 115.95 2k39 s THR 7 Ca 0.25 -1.25 0.32 0.00 -1.18 0.00 0.00 61.69 59.84 2k39 s THR 7 Cb -0.13 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.66 2k39 s THR 7 CO 0.14 0.13 1.64 0.17 -0.54 0.00 0.00 174.62 176.17 2k39 h LEU 8 N 3.68 0.21 -0.72 4.79 -0.00 -1.86 0.35 115.31 121.77 2k39 h LEU 8 Ca -0.49 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.42 2k39 h LEU 8 Cb 1.17 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2k39 h LEU 8 CO 0.52 -0.12 -0.35 0.71 -0.00 0.00 0.00 178.44 179.20 2k39 h THR 9 N 0.09 0.73 0.00 0.15 1.35 -1.98 -3.47 112.91 109.79 2k39 h THR 9 Ca 0.80 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2k39 h THR 9 Cb 2.61 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 71.04 2k39 h THR 9 CO -0.33 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2k39 n GLY 10 N 0.50 1.25 3.76 5.82 0.00 0.11 -5.12 105.19 111.51 2k39 n GLY 10 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.11 3.53 -0.02 1.61 2.20 -1.25 -4.78 119.74 120.93 2k39 s LYS 11 Ca 0.00 2.07 0.01 0.00 -0.36 0.00 0.00 55.97 57.68 2k39 s LYS 11 Cb 0.00 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 2k39 s LYS 11 CO 0.00 -0.82 -0.02 0.99 -0.36 0.00 0.00 175.35 175.14 2k39 s THR 12 N -1.38 0.25 -0.44 3.43 2.01 -1.26 -0.40 115.64 117.85 2k39 s THR 12 Ca 0.66 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 2k39 s THR 12 Cb -0.36 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 71.88 2k39 s THR 12 CO 0.44 0.14 0.59 -0.63 -0.69 0.00 0.00 174.62 174.46 2k39 s ILE 13 N 0.69 4.90 -0.17 1.82 1.01 0.19 -4.97 121.20 124.67 2k39 s ILE 13 Ca -0.07 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 2k39 s ILE 13 Cb -0.10 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 2k39 s ILE 13 CO -0.01 -0.58 1.29 -0.89 0.00 0.00 0.00 174.94 174.75 2k39 s THR 14 N 2.62 4.22 0.17 2.92 2.01 -1.26 -1.37 115.64 124.95 2k39 s THR 14 Ca 0.19 1.46 0.07 0.00 0.31 0.00 0.00 61.69 63.72 2k39 s THR 14 Cb -0.15 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2k39 s THR 14 CO 0.17 -0.17 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.03 2k39 s LEU 15 N 3.65 2.51 -0.14 4.42 1.43 -0.97 -5.02 118.68 124.56 2k39 s LEU 15 Ca 0.56 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2k39 s LEU 15 Cb -0.22 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.44 2k39 s LEU 15 CO 0.16 -0.19 -0.14 -0.70 0.23 0.00 0.00 176.35 175.72 2k39 s GLU 16 N -3.38 2.23 -0.05 1.70 -6.30 -1.26 -2.93 118.70 108.70 2k39 s GLU 16 Ca 0.18 -0.54 -0.18 0.00 -2.50 0.00 0.00 54.97 51.93 2k39 s GLU 16 Cb -0.01 -2.03 0.04 0.00 0.00 0.00 0.00 34.13 32.12 2k39 s GLU 16 CO 0.05 -0.20 0.41 0.14 0.02 0.00 0.00 175.26 175.67 2k39 s VAL 17 N 1.40 0.03 0.08 3.70 -7.23 -0.26 -4.89 120.40 113.24 2k39 s VAL 17 Ca 0.03 -0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 2k39 s VAL 17 Cb -0.13 -0.69 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 2k39 s VAL 17 CO -0.09 -0.15 0.78 -0.70 -0.31 0.00 0.00 175.10 174.63 2k39 s GLU 18 N -0.97 4.52 0.57 4.82 -6.30 -1.26 -0.57 118.70 119.51 2k39 s GLU 18 Ca -0.10 1.11 0.27 0.00 -2.50 0.00 0.00 54.97 53.75 2k39 s GLU 18 Cb -0.04 -3.34 1.56 0.00 0.00 0.00 0.00 34.13 32.32 2k39 s GLU 18 CO 0.05 0.35 2.07 -1.35 0.02 0.00 0.00 175.26 176.40 2k39 h PRO 19 N 5.32 0.00 -0.38 4.30 0.11 -1.96 0.19 132.00 139.58 2k39 h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k39 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k39 h PRO 19 CO 0.70 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 2k39 n SER 20 N -3.97 2.80 -4.73 -2.05 3.41 -1.26 -1.37 113.62 106.45 2k39 n SER 20 Ca 0.03 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.31 2k39 n SER 20 Cb 0.38 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.35 6.80 0.28 4.04 1.01 0.05 -4.85 116.67 122.64 2k39 s ASP 21 Ca 0.36 2.44 -0.00 0.00 0.71 0.00 0.00 52.55 56.06 2k39 s ASP 21 Cb 0.20 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2k39 s ASP 21 CO 0.28 -0.63 0.48 0.42 0.21 0.00 0.00 175.17 175.92 2k39 s THR 22 N 0.58 5.14 0.19 -1.27 -4.23 -1.26 -2.51 115.64 112.28 2k39 s THR 22 Ca 0.61 -0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 2k39 s THR 22 Cb -0.38 -3.80 0.19 0.00 1.34 0.00 0.00 72.50 69.85 2k39 s THR 22 CO 0.35 -0.37 1.29 -0.38 -0.54 0.00 0.00 174.62 174.97 2k39 n ILE 23 N -1.24 -0.44 0.25 2.99 2.08 -1.22 -1.24 119.36 120.54 2k39 n ILE 23 Ca -0.05 1.95 0.13 0.00 0.56 0.00 0.00 62.75 65.34 2k39 n ILE 23 Cb 0.55 -2.57 0.61 0.00 -0.75 0.00 0.00 39.64 37.49 2k39 n ILE 23 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k39 h GLU 24 N 0.00 0.00 0.06 0.38 4.57 -1.95 -1.84 114.58 115.80 2k39 h GLU 24 Ca 0.29 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.31 2k39 h GLU 24 Cb 0.49 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2k39 h GLU 24 CO -0.82 0.14 -0.67 -0.91 -1.18 0.00 0.00 179.01 175.57 2k39 h ASN 25 N 0.00 0.48 -0.34 1.04 -0.26 -1.56 -3.22 115.58 111.72 2k39 h ASN 25 Ca -0.00 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 2k39 h ASN 25 Cb 0.55 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 2k39 h ASN 25 CO 0.02 1.28 0.22 0.58 -1.06 0.00 0.00 177.43 178.46 2k39 h VAL 26 N -0.26 1.10 -0.67 2.81 2.07 -1.21 -1.93 116.25 118.16 2k39 h VAL 26 Ca -0.10 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.35 2k39 h VAL 26 Cb 1.43 0.63 -0.13 0.00 -1.52 0.00 0.00 31.29 31.71 2k39 h VAL 26 CO 0.13 0.10 -0.15 0.11 0.02 0.00 0.00 177.57 177.77 2k39 h LYS 27 N 0.45 0.01 -0.05 1.57 1.57 -1.41 0.32 116.57 119.03 2k39 h LYS 27 Ca 0.12 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 2k39 h LYS 27 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2k39 h LYS 27 CO -0.03 0.01 -0.55 0.00 -0.57 0.00 0.00 179.45 178.31 2k39 h ALA 28 N 1.67 0.98 -0.39 3.86 0.00 -1.59 -2.46 119.26 121.33 2k39 h ALA 28 Ca 0.33 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2k39 h ALA 28 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k39 h ALA 28 CO -0.68 0.69 -0.23 0.87 0.00 0.00 0.00 179.25 179.90 2k39 h LYS 29 N 0.12 0.77 -0.02 0.00 1.57 -0.82 -2.31 116.57 115.87 2k39 h LYS 29 Ca -0.00 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 2k39 h LYS 29 Cb 1.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2k39 h LYS 29 CO 0.08 0.93 -0.29 0.82 -0.57 0.00 0.00 179.45 180.42 2k39 h ILE 30 N 0.67 1.21 -0.22 1.86 2.04 -0.79 -2.91 117.51 119.37 2k39 h ILE 30 Ca 0.09 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 2k39 h ILE 30 Cb 0.74 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2k39 h ILE 30 CO 0.06 0.29 -0.43 -0.61 0.00 0.00 0.00 178.15 177.47 2k39 h GLN 31 N 0.03 0.53 -0.30 2.37 4.15 -0.94 -1.54 115.11 119.41 2k39 h GLN 31 Ca 0.00 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.06 2k39 h GLN 31 Cb 0.52 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2k39 h GLN 31 CO 0.04 0.86 -0.14 0.22 -1.93 0.00 0.00 178.83 177.88 2k39 h ASP 32 N 0.43 0.64 -0.50 -0.69 3.58 -1.39 0.16 116.42 118.65 2k39 h ASP 32 Ca 0.03 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 57.00 2k39 h ASP 32 Cb 0.93 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 2k39 h ASP 32 CO 0.08 0.90 0.01 0.11 -2.88 0.00 0.00 179.24 177.46 2k39 h LYS 33 N 0.37 0.87 0.00 0.28 1.79 -1.49 -3.43 116.57 114.96 2k39 h LYS 33 Ca 0.07 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2k39 h LYS 33 Cb 0.66 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2k39 h LYS 33 CO 0.04 0.90 0.00 0.39 -1.08 0.00 0.00 179.45 179.70 2k39 n GLU 34 N -4.33 5.45 -0.71 3.15 -0.58 -0.59 -5.05 120.64 117.97 2k39 n GLU 34 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2k39 n GLU 34 Cb 0.31 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 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 0.73 3.71 0.62 0.00 0.57 -5.00 105.19 105.82 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 -2.58 3.38 0.47 -0.61 1.01 -1.26 -4.92 121.20 116.69 2k39 s ILE 36 Ca 0.00 0.93 -0.23 0.00 0.00 0.00 0.00 60.65 61.35 2k39 s ILE 36 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 2k39 s ILE 36 CO 0.00 0.05 1.08 -2.65 0.00 0.00 0.00 174.94 173.42 2k39 n PRO 37 N 4.48 1.41 0.08 2.79 -0.02 -1.26 -3.83 135.00 138.65 2k39 n PRO 37 Ca 0.12 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2k39 n PRO 37 Cb 0.42 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k39 h PRO 38 N 1.44 -0.26 -0.76 0.52 0.13 -1.95 -3.30 132.00 127.82 2k39 h PRO 38 Ca -0.46 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 64.90 2k39 h PRO 38 Cb 1.33 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 2k39 h PRO 38 CO 0.56 0.12 0.56 0.22 -0.23 0.00 0.00 178.00 179.23 2k39 h ASP 39 N -0.89 0.00 0.25 1.44 3.58 -1.92 -1.54 116.42 117.34 2k39 h ASP 39 Ca -0.03 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2k39 h ASP 39 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2k39 h ASP 39 CO 0.05 0.00 -0.38 -0.61 -2.88 0.00 0.00 179.24 175.42 2k39 h GLN 40 N 0.00 0.19 -6.78 0.28 4.15 -1.72 -3.45 115.11 107.77 2k39 h GLN 40 Ca 0.36 -0.08 -0.51 0.00 0.77 0.00 0.00 58.65 59.19 2k39 h GLN 40 Cb 1.47 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 29.17 2k39 h GLN 40 CO -0.00 0.55 0.50 -0.65 -1.93 0.00 0.00 178.83 177.29 2k39 s GLN 41 N -4.20 4.60 -0.14 1.69 -0.21 -0.58 -0.51 119.66 120.31 2k39 s GLN 41 Ca -0.04 1.83 -0.05 0.00 0.02 0.00 0.00 55.36 57.11 2k39 s GLN 41 Cb 0.14 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 2k39 s GLN 41 CO 0.76 0.14 0.04 1.03 -2.12 0.00 0.00 175.29 175.14 2k39 s ARG 42 N -1.19 3.60 -0.37 2.91 0.52 0.20 -4.89 118.95 119.72 2k39 s ARG 42 Ca 0.46 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.09 2k39 s ARG 42 Cb -0.32 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.10 2k39 s ARG 42 CO 0.41 0.46 0.75 -0.51 0.02 0.00 0.00 175.30 176.42 2k39 s LEU 43 N -0.17 4.17 -0.06 2.53 1.02 -1.26 -1.40 118.68 123.50 2k39 s LEU 43 Ca 0.07 0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.52 2k39 s LEU 43 Cb -0.12 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.09 2k39 s LEU 43 CO 0.02 -0.71 -0.09 -0.63 0.02 0.00 0.00 176.35 174.95 2k39 s ILE 44 N 3.01 3.48 -0.05 -0.59 1.01 -0.69 -1.73 121.20 125.64 2k39 s ILE 44 Ca 0.30 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 2k39 s ILE 44 Cb -0.13 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 39.97 2k39 s ILE 44 CO 0.17 0.59 0.40 0.12 0.00 0.00 0.00 174.94 176.22 2k39 s PHE 45 N -0.79 -0.33 -0.94 3.97 5.36 -1.18 -0.75 117.98 123.32 2k39 s PHE 45 Ca 0.12 0.59 -0.00 0.00 -0.96 0.00 0.00 56.93 56.68 2k39 s PHE 45 Cb -0.11 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 2k39 s PHE 45 CO 0.01 -0.41 0.02 0.00 -1.46 0.00 0.00 175.22 173.38 2k39 n ALA 46 N 1.48 -0.34 -0.47 11.12 0.00 -1.26 -3.62 120.51 127.42 2k39 n ALA 46 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k39 n ALA 46 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.02 0.75 3.34 0.00 0.00 -1.26 -5.02 105.19 101.98 2k39 n GLY 47 Ca -0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.65 1.14 0.06 1.61 -2.85 -1.24 -5.13 119.74 112.68 2k39 s LYS 48 Ca 0.00 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.97 53.55 2k39 s LYS 48 Cb 0.00 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 2k39 s LYS 48 CO 0.00 -0.42 1.11 -1.14 0.10 0.00 0.00 175.35 175.00 2k39 s GLN 49 N -3.95 4.50 0.41 1.78 0.74 -1.26 -3.09 119.66 118.79 2k39 s GLN 49 Ca 0.15 1.65 -0.23 0.00 0.05 0.00 0.00 55.36 56.98 2k39 s GLN 49 Cb 0.03 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.67 2k39 s GLN 49 CO -0.02 -0.14 1.00 -0.51 -0.55 0.00 0.00 175.29 175.07 2k39 s LEU 50 N 0.83 4.06 -0.12 3.68 1.43 -0.71 -4.97 118.68 122.88 2k39 s LEU 50 Ca 0.55 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 55.49 2k39 s LEU 50 Cb -0.27 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 2k39 s LEU 50 CO 0.30 -0.43 0.04 -0.70 0.23 0.00 0.00 176.35 175.79 2k39 s GLU 51 N -2.75 3.39 0.12 1.70 2.56 -1.26 -4.71 118.70 117.73 2k39 s GLU 51 Ca 0.59 -0.34 -0.31 0.00 0.00 0.00 0.00 54.97 54.91 2k39 s GLU 51 Cb -0.16 -2.99 -0.10 0.00 2.00 0.00 0.00 34.13 32.88 2k39 s GLU 51 CO 0.21 0.57 1.72 0.34 -0.56 0.00 0.00 175.26 177.55 2k39 s ASP 52 N -0.50 6.51 0.00 -1.70 2.15 -1.26 -3.80 116.67 118.07 2k39 s ASP 52 Ca 0.10 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.72 2k39 s ASP 52 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2k39 s ASP 52 CO 0.02 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 2k39 n GLY 53 N 4.06 1.33 3.85 2.66 0.00 -1.26 -5.04 105.19 110.79 2k39 n GLY 53 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 3.78 0.70 1.61 0.52 -1.25 -4.91 118.95 119.40 2k39 s ARG 54 Ca 0.00 0.25 -0.13 0.00 -0.52 0.00 0.00 55.73 55.33 2k39 s ARG 54 Cb 0.00 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.30 2k39 s ARG 54 CO 0.00 0.70 1.10 0.95 0.02 0.00 0.00 175.30 178.07 2k39 s THR 55 N -1.10 3.34 0.44 0.02 -4.23 -1.26 -3.37 115.64 109.48 2k39 s THR 55 Ca 0.23 0.54 0.17 0.00 -1.18 0.00 0.00 61.69 61.44 2k39 s THR 55 Cb -0.15 -3.05 0.36 0.00 1.34 0.00 0.00 72.50 70.99 2k39 s THR 55 CO 0.12 -0.47 1.93 -0.07 -0.54 0.00 0.00 174.62 175.60 2k39 h LEU 56 N -0.44 0.34 -0.94 4.79 3.38 -1.09 -1.73 115.31 119.62 2k39 h LEU 56 Ca -0.45 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2k39 h LEU 56 Cb 1.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2k39 h LEU 56 CO 0.53 0.18 0.11 0.77 0.09 0.00 0.00 178.44 180.13 2k39 h SER 57 N 0.37 0.83 0.25 -0.43 4.64 -1.49 -1.88 113.55 115.84 2k39 h SER 57 Ca 0.35 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2k39 h SER 57 Cb 0.84 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2k39 h SER 57 CO -0.10 0.83 -0.22 0.44 -0.87 0.00 0.00 176.83 176.91 2k39 h ASP 58 N 0.84 0.00 0.02 4.97 3.32 -1.60 -2.79 116.42 121.19 2k39 h ASP 58 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2k39 h ASP 58 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2k39 h ASP 58 CO 0.00 0.22 -0.55 -1.22 -1.72 0.00 0.00 179.24 175.98 2k39 n TYR 59 N -4.19 0.00 -0.13 4.55 4.01 -1.09 -4.99 117.16 115.32 2k39 n TYR 59 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2k39 n TYR 59 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.35 -0.40 -4.62 7.72 3.02 -1.04 -5.02 115.26 114.58 2k39 n ASN 60 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2k39 n ASN 60 Cb 0.43 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -2.00 4.78 0.65 2.41 1.01 -0.73 -4.99 121.20 122.31 2k39 s ILE 61 Ca 0.00 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 2k39 s ILE 61 Cb 0.00 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.38 2k39 s ILE 61 CO 0.00 -0.24 0.92 -1.58 0.00 0.00 0.00 174.94 174.04 2k39 s GLN 62 N 2.99 2.15 0.25 2.79 0.74 -1.26 -4.67 119.66 122.66 2k39 s GLN 62 Ca 0.34 -0.71 -0.28 0.00 0.05 0.00 0.00 55.36 54.76 2k39 s GLN 62 Cb -0.14 -2.34 -0.16 0.00 1.10 0.00 0.00 33.01 31.48 2k39 s GLN 62 CO 0.12 -1.11 0.76 0.36 -0.55 0.00 0.00 175.29 174.87 2k39 n LYS 63 N -2.68 0.67 -3.61 1.67 -0.00 -1.26 -3.45 118.16 109.50 2k39 n LYS 63 Ca 0.10 0.23 -0.26 0.00 -0.00 0.00 0.00 58.31 58.38 2k39 n LYS 63 Cb 0.60 -1.42 0.05 0.00 -0.00 0.00 0.00 35.03 34.26 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 0.86 -6.20 -2.84 -1.58 2.13 -0.16 -4.97 120.64 107.88 2k39 n GLU 64 Ca 0.14 0.73 -0.40 0.00 0.66 0.00 0.00 57.16 58.29 2k39 n GLU 64 Cb 0.29 -5.67 -0.06 0.00 0.27 0.00 0.00 31.44 26.27 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 -3.16 7.52 -0.35 4.31 0.01 -1.22 -4.93 113.70 115.88 2k39 s SER 65 Ca 0.56 1.80 -0.11 0.00 1.31 0.00 0.00 55.95 59.51 2k39 s SER 65 Cb -0.26 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.42 2k39 s SER 65 CO 0.69 0.15 0.19 -0.89 0.41 0.00 0.00 173.24 173.79 2k39 s THR 66 N -0.99 4.65 0.27 1.44 2.01 -1.26 -1.10 115.64 120.66 2k39 s THR 66 Ca 0.40 -0.66 0.12 0.00 0.31 0.00 0.00 61.69 61.86 2k39 s THR 66 Cb -0.24 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2k39 s THR 66 CO 0.29 -0.12 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.15 2k39 s LEU 67 N 1.59 2.61 0.17 4.42 1.02 -0.58 -5.00 118.68 122.90 2k39 s LEU 67 Ca 0.03 -0.99 0.10 0.00 0.02 0.00 0.00 54.13 53.29 2k39 s LEU 67 Cb -0.18 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.84 2k39 s LEU 67 CO 0.07 0.05 -0.17 -1.00 0.02 0.00 0.00 176.35 175.32 2k39 s HIS 68 N -2.41 2.49 -0.01 0.29 3.76 0.07 -0.71 115.29 118.76 2k39 s HIS 68 Ca 0.29 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 2k39 s HIS 68 Cb -0.05 -1.26 0.01 0.00 1.11 0.00 0.00 32.58 32.39 2k39 s HIS 68 CO 0.15 0.47 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.32 2k39 s LEU 69 N -2.57 1.72 -0.16 0.89 2.96 -0.81 -1.71 118.68 119.00 2k39 s LEU 69 Ca 0.21 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2k39 s LEU 69 Cb -0.09 -0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.44 2k39 s LEU 69 CO 0.12 -0.01 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.30 2k39 s VAL 70 N 0.31 1.71 -0.15 1.68 1.01 -0.50 -4.44 120.40 120.02 2k39 s VAL 70 Ca -0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2k39 s VAL 70 Cb -0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2k39 s VAL 70 CO -0.01 0.44 0.59 -0.76 0.00 0.00 0.00 175.10 175.36 2k39 s LEU 71 N 1.42 4.21 0.00 3.92 1.43 -1.26 0.60 118.68 129.00 2k39 s LEU 71 Ca 0.04 0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2k39 s LEU 71 Cb -0.13 -2.85 0.13 0.00 0.03 0.00 0.00 46.19 43.36 2k39 s LEU 71 CO -0.11 -0.16 0.77 0.54 0.23 0.00 0.00 176.35 177.62 2k39 n ARG 72 N 4.43 -0.55 -3.62 1.70 1.74 0.33 -4.96 116.66 115.73 2k39 n ARG 72 Ca -0.03 -1.39 -0.36 0.00 -0.77 0.00 0.00 57.85 55.30 2k39 n ARG 72 Cb 0.51 -0.73 -0.07 0.00 -1.02 0.00 0.00 32.46 31.14 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k39 s LEU 73 N 0.00 4.27 0.00 0.55 1.43 -1.26 -4.90 118.68 118.77 2k39 s LEU 73 Ca 0.45 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2k39 s LEU 73 Cb -0.02 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.92 2k39 s LEU 73 CO 0.31 0.17 0.00 -1.14 0.23 0.00 0.00 176.35 175.93 2k39 n ARG 74 N 3.24 0.00 0.00 1.70 0.63 -1.26 -5.01 116.66 115.95 2k39 n ARG 74 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2k39 n ARG 74 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 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 0.00 3.25 0.00 5.14 0.00 -1.26 -4.18 105.19 108.14 2k39 n GLY 75 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93