#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 3.91 0.15 2.12 -0.21 -1.26 -0.90 119.66 123.47 2k39 s GLN 2 Ca 0.00 0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.71 2k39 s GLN 2 Cb 0.00 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 2k39 s GLN 2 CO 0.00 0.45 0.23 0.96 -2.12 0.00 0.00 175.29 174.81 2k39 s ILE 3 N -1.54 0.08 0.04 1.08 -4.36 -0.50 -0.47 121.20 115.53 2k39 s ILE 3 Ca 0.39 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.36 2k39 s ILE 3 Cb -0.14 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 2k39 s ILE 3 CO 0.19 -0.37 -0.17 -0.36 0.24 0.00 0.00 174.94 174.47 2k39 s PHE 4 N -3.97 1.50 -0.22 1.37 0.40 0.41 -2.51 117.98 114.96 2k39 s PHE 4 Ca 0.17 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2k39 s PHE 4 Cb 0.04 -0.89 0.07 0.00 0.51 0.00 0.00 43.02 42.76 2k39 s PHE 4 CO -0.01 0.06 0.08 0.08 0.70 0.00 0.00 175.22 176.14 2k39 s VAL 5 N -0.83 0.20 -0.05 -0.44 1.01 0.16 -0.37 120.40 120.09 2k39 s VAL 5 Ca 0.04 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2k39 s VAL 5 Cb -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2k39 s VAL 5 CO 0.02 -0.39 1.11 -0.75 0.00 0.00 0.00 175.10 175.08 2k39 s LYS 6 N 1.99 4.42 0.58 2.72 2.20 -0.30 -0.74 119.74 130.61 2k39 s LYS 6 Ca 0.03 1.56 -0.14 0.00 -0.36 0.00 0.00 55.97 57.07 2k39 s LYS 6 Cb -0.16 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2k39 s LYS 6 CO -0.16 -0.32 1.02 0.99 -0.36 0.00 0.00 175.35 176.52 2k39 s THR 7 N 1.81 4.41 0.43 3.43 2.01 0.15 -0.62 115.64 127.26 2k39 s THR 7 Ca 0.53 0.99 0.21 0.00 0.31 0.00 0.00 61.69 63.73 2k39 s THR 7 Cb -0.23 -3.67 0.41 0.00 0.01 0.00 0.00 72.50 69.02 2k39 s THR 7 CO 0.23 -0.82 1.82 -0.07 -0.69 0.00 0.00 174.62 175.09 2k39 h LEU 8 N 0.28 0.35 -0.04 4.42 3.38 -1.72 -2.87 115.31 119.11 2k39 h LEU 8 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k39 h LEU 8 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k39 h LEU 8 CO 0.60 0.11 0.00 0.35 0.09 0.00 0.00 178.44 179.59 2k39 n THR 9 N -4.51 0.33 0.00 0.22 -2.24 -1.26 -4.92 114.28 101.91 2k39 n THR 9 Ca 0.22 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2k39 n THR 9 Cb 0.83 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.23 0.90 3.93 3.38 0.00 -1.08 -5.10 105.19 108.45 2k39 n GLY 10 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.39 3.51 -0.04 1.61 -2.85 -1.26 -4.83 119.74 115.50 2k39 s LYS 11 Ca 0.00 -0.12 0.05 0.00 -1.00 0.00 0.00 55.97 54.89 2k39 s LYS 11 Cb 0.00 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 33.20 2k39 s LYS 11 CO 0.00 0.03 -0.17 0.99 0.10 0.00 0.00 175.35 176.30 2k39 s THR 12 N -2.45 1.41 0.24 3.79 2.01 -1.26 0.30 115.64 119.68 2k39 s THR 12 Ca 0.43 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2k39 s THR 12 Cb -0.10 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2k39 s THR 12 CO 0.39 0.41 0.28 -0.63 -0.69 0.00 0.00 174.62 174.37 2k39 s ILE 13 N -0.07 4.87 0.05 1.82 1.01 0.08 -4.98 121.20 123.99 2k39 s ILE 13 Ca -0.01 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.49 2k39 s ILE 13 Cb -0.10 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2k39 s ILE 13 CO 0.01 -0.33 -0.09 0.28 0.00 0.00 0.00 174.94 174.82 2k39 s THR 14 N -2.04 0.60 -0.00 2.92 -1.32 -1.26 0.37 115.64 114.91 2k39 s THR 14 Ca 0.33 -1.10 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2k39 s THR 14 Cb -0.09 -0.66 -0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2k39 s THR 14 CO 0.27 -0.36 0.03 -0.76 -2.21 0.00 0.00 174.62 171.59 2k39 s LEU 15 N -1.60 1.93 -0.21 9.08 1.02 -1.04 -5.00 118.68 122.86 2k39 s LEU 15 Ca -0.09 -0.13 -0.10 0.00 0.02 0.00 0.00 54.13 53.82 2k39 s LEU 15 Cb -0.10 0.20 -0.05 0.00 0.02 0.00 0.00 46.19 46.26 2k39 s LEU 15 CO 0.01 -0.15 0.15 -0.70 0.02 0.00 0.00 176.35 175.68 2k39 s GLU 16 N -0.61 4.15 0.37 1.70 2.56 -1.26 -1.41 118.70 124.20 2k39 s GLU 16 Ca -0.07 -0.22 0.04 0.00 0.00 0.00 0.00 54.97 54.72 2k39 s GLU 16 Cb -0.04 -3.47 -0.05 0.00 2.00 0.00 0.00 34.13 32.57 2k39 s GLU 16 CO -0.00 0.20 0.07 0.14 -0.56 0.00 0.00 175.26 175.11 2k39 s VAL 17 N 0.65 1.03 0.04 3.70 -7.23 -0.07 -4.91 120.40 113.60 2k39 s VAL 17 Ca 0.08 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 2k39 s VAL 17 Cb -0.12 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2k39 s VAL 17 CO 0.01 0.00 0.12 -1.61 -0.31 0.00 0.00 175.10 173.31 2k39 s GLU 18 N -3.83 3.13 0.25 4.82 0.41 -1.26 -0.24 118.70 121.99 2k39 s GLU 18 Ca 0.30 -0.53 0.20 0.00 -0.41 0.00 0.00 54.97 54.53 2k39 s GLU 18 Cb 0.06 -2.88 0.98 0.00 -1.78 0.00 0.00 34.13 30.51 2k39 s GLU 18 CO 0.14 0.61 1.62 -0.35 -0.49 0.00 0.00 175.26 176.80 2k39 n PRO 19 N 0.69 0.14 -0.02 0.39 -0.04 -1.26 -0.98 135.00 133.92 2k39 n PRO 19 Ca -0.09 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 2k39 n PRO 19 Cb 0.52 -1.87 0.57 0.00 -0.04 0.00 0.00 33.50 32.68 2k39 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k39 n SER 20 N -2.15 1.10 -4.84 3.54 7.64 -1.26 -3.59 113.62 114.06 2k39 n SER 20 Ca 0.00 -1.45 -0.36 0.00 1.01 0.00 0.00 58.87 58.07 2k39 n SER 20 Cb 0.12 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k39 s ASP 21 N -1.85 6.88 0.62 6.43 1.01 -0.15 -5.01 116.67 124.60 2k39 s ASP 21 Ca 0.37 1.13 -0.09 0.00 0.71 0.00 0.00 52.55 54.67 2k39 s ASP 21 Cb 0.19 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2k39 s ASP 21 CO 0.31 0.14 0.98 0.42 0.21 0.00 0.00 175.17 177.23 2k39 s THR 22 N -1.38 4.11 0.13 -1.27 -4.23 -1.26 -3.39 115.64 108.34 2k39 s THR 22 Ca 0.36 0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 2k39 s THR 22 Cb -0.16 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 2k39 s THR 22 CO 0.19 -0.77 1.71 0.40 -0.54 0.00 0.00 174.62 175.61 2k39 h ILE 23 N -0.30 1.16 -1.08 2.99 1.08 -1.70 -2.71 117.51 116.96 2k39 h ILE 23 Ca -0.45 -0.46 0.29 0.00 -0.39 0.00 0.00 64.86 63.86 2k39 h ILE 23 Cb 1.23 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 35.71 2k39 h ILE 23 CO 0.62 0.17 0.73 -0.08 -0.69 0.00 0.00 178.15 178.90 2k39 h GLU 24 N 0.45 0.21 -0.09 2.37 4.81 -1.87 -0.94 114.58 119.51 2k39 h GLU 24 Ca 0.12 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 2k39 h GLU 24 Cb 0.11 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k39 h GLU 24 CO -0.02 0.14 -0.68 -0.97 -0.73 0.00 0.00 179.01 176.75 2k39 h ASN 25 N 0.22 0.48 -0.57 1.04 -0.73 -1.86 -1.61 115.58 112.55 2k39 h ASN 25 Ca 0.57 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 58.41 2k39 h ASN 25 Cb 1.80 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 40.22 2k39 h ASN 25 CO -0.17 1.02 0.24 0.58 -0.37 0.00 0.00 177.43 178.73 2k39 h VAL 26 N 0.29 1.22 -0.49 2.57 2.07 -1.04 -2.16 116.25 118.70 2k39 h VAL 26 Ca -0.02 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 2k39 h VAL 26 Cb 1.24 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2k39 h VAL 26 CO 0.12 0.27 -0.20 0.11 0.02 0.00 0.00 177.57 177.88 2k39 h LYS 27 N 0.87 1.00 -0.32 1.57 1.57 -1.10 -2.32 116.57 117.83 2k39 h LYS 27 Ca 0.21 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2k39 h LYS 27 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2k39 h LYS 27 CO -0.02 1.09 -0.04 0.00 -0.57 0.00 0.00 179.45 179.91 2k39 h ALA 28 N 0.89 1.34 -0.09 3.86 0.00 -1.19 0.20 119.26 124.27 2k39 h ALA 28 Ca 0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2k39 h ALA 28 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k39 h ALA 28 CO 0.06 0.45 -0.63 0.87 0.00 0.00 0.00 179.25 180.00 2k39 h LYS 29 N 0.48 0.33 0.25 0.00 1.57 -1.41 0.17 116.57 117.96 2k39 h LYS 29 Ca 0.10 -0.24 -0.34 0.00 -1.87 0.00 0.00 60.65 58.30 2k39 h LYS 29 Cb 0.38 0.04 0.04 0.00 0.08 0.00 0.00 32.23 32.77 2k39 h LYS 29 CO 0.02 0.86 -1.49 0.82 -0.57 0.00 0.00 179.45 179.09 2k39 h ILE 30 N 0.24 1.28 -0.85 1.86 2.04 -1.21 -3.10 117.51 117.78 2k39 h ILE 30 Ca -0.01 -2.71 0.21 0.00 1.00 0.00 0.00 64.86 63.35 2k39 h ILE 30 Cb 1.17 3.04 -0.15 0.00 -0.74 0.00 0.00 36.82 40.13 2k39 h ILE 30 CO 0.10 0.81 0.00 -0.61 0.00 0.00 0.00 178.15 178.46 2k39 h GLN 31 N 0.15 0.07 -0.65 2.37 4.15 -0.98 0.29 115.11 120.50 2k39 h GLN 31 Ca -0.26 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.26 2k39 h GLN 31 Cb 2.17 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.77 2k39 h GLN 31 CO 0.28 0.05 0.28 0.22 -1.93 0.00 0.00 178.83 177.72 2k39 h ASP 32 N 0.07 0.31 0.00 -0.69 3.58 -0.67 -3.02 116.42 116.01 2k39 h ASP 32 Ca 0.48 0.07 -0.29 0.00 0.42 0.00 0.00 57.03 57.71 2k39 h ASP 32 Cb 0.89 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 2k39 h ASP 32 CO -0.77 0.18 -1.97 1.17 -2.88 0.00 0.00 179.24 174.97 2k39 n LYS 33 N -4.95 0.37 0.00 0.28 4.81 -1.04 -4.77 118.16 112.86 2k39 n LYS 33 Ca 0.10 0.16 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 2k39 n LYS 33 Cb 0.28 -1.12 -0.14 0.00 0.02 0.00 0.00 35.03 34.08 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k39 n GLU 34 N -3.78 0.74 0.00 1.64 -0.58 0.96 -5.02 120.64 114.61 2k39 n GLU 34 Ca -0.34 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2k39 n GLU 34 Cb 0.74 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 1.92 1.22 3.67 0.62 0.00 -0.92 -4.98 105.19 106.73 2k39 n GLY 35 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 4.96 0.25 -0.61 1.01 -1.26 -4.86 121.20 118.70 2k39 s ILE 36 Ca 0.00 1.42 -0.31 0.00 0.00 0.00 0.00 60.65 61.77 2k39 s ILE 36 Cb 0.00 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 2k39 s ILE 36 CO 0.00 0.09 1.35 -2.65 0.00 0.00 0.00 174.94 173.74 2k39 n PRO 37 N 4.94 1.95 -0.33 2.79 -0.02 -1.26 -3.64 135.00 139.42 2k39 n PRO 37 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2k39 n PRO 37 Cb 0.50 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k39 h PRO 38 N 3.79 -0.03 0.00 0.52 0.11 -1.94 0.12 132.00 134.57 2k39 h PRO 38 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k39 h PRO 38 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2k39 h PRO 38 CO 0.73 -0.02 0.85 0.22 -0.21 0.00 0.00 178.00 179.57 2k39 h ASP 39 N -0.03 0.00 -0.04 -2.05 3.58 -1.99 -3.20 116.42 112.70 2k39 h ASP 39 Ca 0.37 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.66 2k39 h ASP 39 Cb 0.62 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.35 2k39 h ASP 39 CO -0.92 0.00 -0.94 0.00 -2.88 0.00 0.00 179.24 174.50 2k39 n GLN 40 N -2.20 0.44 -3.84 0.28 1.13 0.42 -4.92 117.38 108.70 2k39 n GLN 40 Ca -0.00 -2.36 -0.13 0.00 -1.94 0.00 0.00 57.00 52.58 2k39 n GLN 40 Cb 0.86 -0.42 -0.14 0.00 0.11 0.00 0.00 30.24 30.65 2k39 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2k39 s GLN 41 N -0.87 0.04 -0.05 -1.09 -2.07 -1.21 -3.44 119.66 110.98 2k39 s GLN 41 Ca 0.35 0.10 -0.02 0.00 -1.82 0.00 0.00 55.36 53.97 2k39 s GLN 41 Cb 0.38 -0.02 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 2k39 s GLN 41 CO -0.14 -0.04 0.04 0.50 -1.32 0.00 0.00 175.29 174.33 2k39 s ARG 42 N 0.23 0.18 0.28 9.60 3.52 -0.23 -4.93 118.95 127.60 2k39 s ARG 42 Ca -0.02 0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 55.73 2k39 s ARG 42 Cb -0.03 -0.66 -0.08 0.00 -1.56 0.00 0.00 34.95 32.63 2k39 s ARG 42 CO -0.01 -0.30 0.64 -0.51 -0.81 0.00 0.00 175.30 174.31 2k39 s LEU 43 N 2.00 4.11 -0.04 -0.88 1.43 -1.26 -1.46 118.68 122.58 2k39 s LEU 43 Ca 0.04 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2k39 s LEU 43 Cb -0.12 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.27 2k39 s LEU 43 CO -0.04 -0.15 0.00 -0.63 0.23 0.00 0.00 176.35 175.77 2k39 s ILE 44 N -1.92 0.21 -0.11 -0.59 1.01 -0.36 -0.88 121.20 118.56 2k39 s ILE 44 Ca 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 2k39 s ILE 44 Cb -0.11 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.07 2k39 s ILE 44 CO 0.20 0.17 -0.04 0.12 0.00 0.00 0.00 174.94 175.39 2k39 s PHE 45 N 1.20 1.25 -0.59 3.97 5.36 -0.54 -2.49 117.98 126.13 2k39 s PHE 45 Ca -0.07 -0.62 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 2k39 s PHE 45 Cb -0.13 -1.11 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 2k39 s PHE 45 CO -0.02 -0.48 0.00 0.00 -1.46 0.00 0.00 175.22 173.26 2k39 n ALA 46 N 5.00 -0.08 0.00 11.12 0.00 -1.26 -0.13 120.51 135.15 2k39 n ALA 46 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k39 n ALA 46 Cb 0.50 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.21 0.84 3.22 0.00 0.00 -1.26 -5.09 105.19 102.70 2k39 n GLY 47 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.66 2.50 -0.30 1.61 1.02 0.81 -5.05 119.74 119.67 2k39 s LYS 48 Ca 0.00 -1.71 -0.28 0.00 0.02 0.00 0.00 55.97 54.01 2k39 s LYS 48 Cb 0.00 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 2k39 s LYS 48 CO 0.00 -1.15 2.08 1.14 -0.92 0.00 0.00 175.35 176.50 2k39 s GLN 49 N 1.37 3.07 0.57 1.68 -2.07 -1.26 -1.47 119.66 121.55 2k39 s GLN 49 Ca 0.05 1.70 -0.20 0.00 -1.82 0.00 0.00 55.36 55.08 2k39 s GLN 49 Cb -0.26 -4.33 -0.04 0.00 -1.09 0.00 0.00 33.01 27.29 2k39 s GLN 49 CO -0.00 -2.17 1.30 -0.51 -1.32 0.00 0.00 175.29 172.59 2k39 s LEU 50 N 8.24 3.77 -0.06 2.60 1.43 -0.06 -5.00 118.68 129.61 2k39 s LEU 50 Ca 0.92 2.63 0.04 0.00 -1.03 0.00 0.00 54.13 56.69 2k39 s LEU 50 Cb -0.27 -4.41 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 2k39 s LEU 50 CO 0.33 -1.62 -0.18 -1.61 0.23 0.00 0.00 176.35 173.49 2k39 s GLU 51 N -3.07 2.57 0.17 1.70 2.02 -1.26 -4.59 118.70 116.23 2k39 s GLU 51 Ca 0.75 -0.78 -0.32 0.00 0.02 0.00 0.00 54.97 54.64 2k39 s GLU 51 Cb -0.37 -2.31 -0.17 0.00 0.10 0.00 0.00 34.13 31.38 2k39 s GLU 51 CO 0.42 0.50 0.88 -0.40 0.02 0.00 0.00 175.26 176.69 2k39 n ASP 52 N 2.63 0.11 0.00 -0.19 5.75 -1.26 -3.73 116.55 119.86 2k39 n ASP 52 Ca -0.17 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.75 2k39 n ASP 52 Cb 0.52 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k39 n GLY 53 N 1.80 0.78 2.86 6.12 0.00 -1.26 -5.02 105.19 110.46 2k39 n GLY 53 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.06 0.89 -4.41 1.61 1.74 -1.24 -5.08 116.66 109.10 2k39 n ARG 54 Ca 0.00 -2.92 -0.20 0.00 -0.77 0.00 0.00 57.85 53.96 2k39 n ARG 54 Cb 0.00 1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 32.38 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 -2.58 1.19 0.53 0.55 -4.23 -1.26 -1.97 115.64 107.87 2k39 s THR 55 Ca 0.06 -2.02 0.19 0.00 -1.18 0.00 0.00 61.69 58.74 2k39 s THR 55 Cb 0.00 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.50 2k39 s THR 55 CO 0.04 -0.11 2.14 -0.07 -0.54 0.00 0.00 174.62 176.08 2k39 h LEU 56 N 2.23 0.00 -0.19 4.79 3.38 -1.61 -3.07 115.31 120.84 2k39 h LEU 56 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2k39 h LEU 56 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2k39 h LEU 56 CO 0.68 0.00 0.02 -1.28 0.09 0.00 0.00 178.44 177.95 2k39 h SER 57 N 0.00 0.30 -0.72 -0.43 0.87 -1.80 -1.18 113.55 110.60 2k39 h SER 57 Ca 0.04 -0.27 0.21 0.00 -1.23 0.00 0.00 61.79 60.54 2k39 h SER 57 Cb 0.18 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2k39 h SER 57 CO -0.00 0.50 0.80 0.44 -0.53 0.00 0.00 176.83 178.04 2k39 h ASP 58 N 0.10 0.00 -0.02 6.23 3.32 -1.89 0.71 116.42 124.86 2k39 h ASP 58 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k39 h ASP 58 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k39 h ASP 58 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 2k39 n TYR 59 N -3.51 0.02 -2.96 4.55 4.01 -1.24 -5.01 117.16 113.02 2k39 n TYR 59 Ca 0.15 -0.09 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 2k39 n TYR 59 Cb 1.05 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 40.13 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 0.12 -2.27 -4.63 7.72 5.15 0.24 -5.02 115.26 116.57 2k39 n ASN 60 Ca 0.02 -0.40 -0.36 0.00 -0.60 0.00 0.00 54.58 53.24 2k39 n ASN 60 Cb 0.12 -3.53 -0.10 0.00 -0.53 0.00 0.00 39.78 35.74 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 -3.23 5.15 0.00 -1.44 1.01 -0.46 -5.00 121.20 117.22 2k39 s ILE 61 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2k39 s ILE 61 Cb -0.01 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2k39 s ILE 61 CO 0.48 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.78 2k39 n GLN 62 N 4.22 2.41 -1.61 2.79 1.13 -1.26 -4.52 117.38 120.53 2k39 n GLN 62 Ca -0.15 0.00 -0.61 0.00 -1.94 0.00 0.00 57.00 54.30 2k39 n GLN 62 Cb 0.52 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.79 2k39 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2k39 n LYS 63 N -0.17 0.26 -1.10 -1.09 4.81 -1.26 -3.08 118.16 116.53 2k39 n LYS 63 Ca 0.00 0.10 -0.04 0.00 -0.87 0.00 0.00 58.31 57.50 2k39 n LYS 63 Cb 0.00 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 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 2.82 -0.32 -3.00 1.64 1.02 0.38 -4.98 120.64 118.19 2k39 n GLU 64 Ca 0.24 0.55 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 2k39 n GLU 64 Cb 0.05 -4.16 -0.06 0.00 -0.02 0.00 0.00 31.44 27.25 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 -2.77 7.01 -0.08 1.62 0.01 -1.18 -4.79 113.70 113.52 2k39 s SER 65 Ca 0.00 1.50 0.05 0.00 1.31 0.00 0.00 55.95 58.81 2k39 s SER 65 Cb 0.00 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 2k39 s SER 65 CO 0.00 -0.12 -0.23 -0.89 0.41 0.00 0.00 173.24 172.40 2k39 s THR 66 N -1.79 1.99 0.29 1.44 2.01 -1.26 -0.44 115.64 117.88 2k39 s THR 66 Ca 0.51 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.60 2k39 s THR 66 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2k39 s THR 66 CO 0.19 0.55 0.08 -0.76 -0.69 0.00 0.00 174.62 173.98 2k39 s LEU 67 N 0.20 3.29 -0.01 4.42 1.02 0.50 -4.92 118.68 123.18 2k39 s LEU 67 Ca -0.14 -0.66 0.05 0.00 0.02 0.00 0.00 54.13 53.41 2k39 s LEU 67 Cb -0.16 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 2k39 s LEU 67 CO 0.07 -0.13 -0.16 -2.28 0.02 0.00 0.00 176.35 173.88 2k39 s HIS 68 N -2.35 2.64 -0.13 0.29 2.46 -1.04 -1.15 115.29 116.01 2k39 s HIS 68 Ca 0.34 -0.20 -0.03 0.00 0.47 0.00 0.00 55.06 55.64 2k39 s HIS 68 Cb -0.05 -1.55 -0.03 0.00 -0.13 0.00 0.00 32.58 30.82 2k39 s HIS 68 CO 0.22 0.22 -0.02 -1.17 -2.47 0.00 0.00 174.74 171.51 2k39 s LEU 69 N -1.08 3.36 0.17 8.88 0.20 0.21 -1.23 118.68 129.20 2k39 s LEU 69 Ca 0.13 -0.04 0.09 0.00 0.69 0.00 0.00 54.13 55.01 2k39 s LEU 69 Cb -0.11 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 2k39 s LEU 69 CO 0.03 0.24 -0.11 0.68 -0.29 0.00 0.00 176.35 176.90 2k39 s VAL 70 N -0.07 3.13 -0.21 1.68 -7.23 -0.54 -2.10 120.40 115.05 2k39 s VAL 70 Ca 0.02 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2k39 s VAL 70 Cb -0.13 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.33 2k39 s VAL 70 CO 0.02 -0.08 -0.01 -1.48 -0.31 0.00 0.00 175.10 173.24 2k39 s LEU 71 N -2.74 1.83 0.00 1.32 2.34 -1.26 -1.06 118.68 119.11 2k39 s LEU 71 Ca 0.24 -0.98 0.00 0.00 0.06 0.00 0.00 54.13 53.45 2k39 s LEU 71 Cb -0.09 -0.87 0.00 0.00 -0.56 0.00 0.00 46.19 44.67 2k39 s LEU 71 CO 0.14 -0.27 0.00 -1.14 -1.06 0.00 0.00 176.35 174.02 2k39 n ARG 72 N 4.87 0.00 -3.52 1.48 0.63 -1.22 -4.80 116.66 114.10 2k39 n ARG 72 Ca -0.10 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.50 2k39 n ARG 72 Cb 0.46 -0.01 -0.05 0.00 0.45 0.00 0.00 32.46 33.31 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2k39 s LEU 73 N 0.00 4.24 -0.01 6.15 2.34 -1.26 -5.10 118.68 125.04 2k39 s LEU 73 Ca 0.00 0.80 -0.14 0.00 0.06 0.00 0.00 54.13 54.85 2k39 s LEU 73 Cb 0.00 -3.41 -0.05 0.00 -0.56 0.00 0.00 46.19 42.16 2k39 s LEU 73 CO 0.00 0.02 0.39 -0.60 -1.06 0.00 0.00 176.35 175.10 2k39 s ARG 74 N -2.55 3.91 -0.26 1.48 3.52 -1.26 -4.81 118.95 118.99 2k39 s ARG 74 Ca 0.42 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 2k39 s ARG 74 Cb -0.12 -3.23 0.07 0.00 -1.56 0.00 0.00 34.95 30.10 2k39 s ARG 74 CO 0.22 0.67 -0.05 0.20 -0.81 0.00 0.00 175.30 175.53 2k39 s GLY 75 N -0.98 1.44 0.00 8.12 0.00 -1.26 -5.10 107.32 109.55 2k39 s GLY 75 Ca 0.23 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2k39 s GLY 75 CO 0.12 0.89 0.16 0.61 0.00 0.00 0.00 173.10 174.88