#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 4.52 0.04 2.12 -0.21 -1.26 0.69 119.66 125.56 2k39 s GLN 2 Ca 0.00 1.73 0.05 0.00 0.02 0.00 0.00 55.36 57.15 2k39 s GLN 2 Cb 0.00 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 2k39 s GLN 2 CO 0.00 -0.08 -0.14 0.96 -2.12 0.00 0.00 175.29 173.91 2k39 s ILE 3 N 0.40 1.07 -0.09 1.08 -4.36 -1.04 -1.23 121.20 117.04 2k39 s ILE 3 Ca 0.54 -1.04 -0.05 0.00 -0.26 0.00 0.00 60.65 59.83 2k39 s ILE 3 Cb -0.29 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 2k39 s ILE 3 CO 0.32 -0.05 0.12 -0.36 0.24 0.00 0.00 174.94 175.22 2k39 s PHE 4 N -0.93 3.51 -0.08 1.37 0.08 -0.47 -1.61 117.98 119.83 2k39 s PHE 4 Ca 0.00 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.50 2k39 s PHE 4 Cb -0.08 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2k39 s PHE 4 CO 0.01 0.67 -0.11 0.08 -0.10 0.00 0.00 175.22 175.78 2k39 s VAL 5 N -1.08 1.13 -0.37 -0.44 1.01 -1.02 -1.70 120.40 117.93 2k39 s VAL 5 Ca 0.18 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 2k39 s VAL 5 Cb -0.12 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2k39 s VAL 5 CO 0.07 0.37 0.91 -0.54 0.00 0.00 0.00 175.10 175.91 2k39 s LYS 6 N 1.03 3.82 0.88 2.72 1.02 -0.53 -1.94 119.74 126.74 2k39 s LYS 6 Ca -0.07 0.53 -0.10 0.00 0.02 0.00 0.00 55.97 56.35 2k39 s LYS 6 Cb -0.15 -3.81 0.12 0.00 -0.52 0.00 0.00 37.83 33.48 2k39 s LYS 6 CO -0.01 -0.95 1.12 0.99 -0.92 0.00 0.00 175.35 175.58 2k39 s THR 7 N 3.45 2.52 -0.57 2.17 2.01 0.12 -1.70 115.64 123.65 2k39 s THR 7 Ca 0.37 0.17 0.12 0.00 0.31 0.00 0.00 61.69 62.66 2k39 s THR 7 Cb -0.12 -2.37 0.12 0.00 0.01 0.00 0.00 72.50 70.14 2k39 s THR 7 CO 0.19 -0.22 1.37 0.18 -0.69 0.00 0.00 174.62 175.45 2k39 n LEU 8 N -4.01 0.31 -0.14 4.42 4.32 -1.26 -0.70 117.00 119.93 2k39 n LEU 8 Ca 0.10 0.64 0.11 0.00 -0.02 0.00 0.00 56.01 56.85 2k39 n LEU 8 Cb 0.53 -0.67 0.11 0.00 -1.62 0.00 0.00 43.42 41.76 2k39 n LEU 8 CO 0.51 -0.73 0.31 0.35 -1.22 0.00 0.00 177.39 176.61 2k39 n THR 9 N -1.91 0.00 0.00 -5.08 -2.24 -1.26 -4.97 114.28 98.82 2k39 n THR 9 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2k39 n THR 9 Cb 0.03 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.45 3.11 3.76 3.38 0.00 0.12 -5.07 105.19 111.95 2k39 n GLY 10 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.70 4.69 -0.10 1.61 1.02 -1.26 -4.71 119.74 120.29 2k39 s LYS 11 Ca 0.00 1.52 -0.17 0.00 0.02 0.00 0.00 55.97 57.34 2k39 s LYS 11 Cb 0.00 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2k39 s LYS 11 CO 0.00 0.34 0.44 0.95 -0.92 0.00 0.00 175.35 176.15 2k39 s THR 12 N -1.32 5.17 -0.19 2.17 -4.23 -1.26 0.16 115.64 116.14 2k39 s THR 12 Ca 0.45 0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 61.75 2k39 s THR 12 Cb -0.25 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 2k39 s THR 12 CO 0.32 0.39 0.08 0.27 -0.54 0.00 0.00 174.62 175.13 2k39 s ILE 13 N 0.25 4.92 -0.10 2.99 -4.36 -0.82 -4.97 121.20 119.11 2k39 s ILE 13 Ca 0.24 0.01 -0.21 0.00 -0.26 0.00 0.00 60.65 60.43 2k39 s ILE 13 Cb -0.15 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 2k39 s ILE 13 CO 0.10 0.45 0.62 -0.89 0.24 0.00 0.00 174.94 175.46 2k39 s THR 14 N 0.44 5.09 -0.12 8.37 2.01 -1.26 -2.44 115.64 127.73 2k39 s THR 14 Ca 0.04 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.31 2k39 s THR 14 Cb -0.12 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2k39 s THR 14 CO 0.00 0.26 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.28 2k39 s LEU 15 N 0.89 2.63 -0.56 4.42 1.43 -0.63 -5.01 118.68 121.84 2k39 s LEU 15 Ca 0.33 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 2k39 s LEU 15 Cb -0.17 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.62 2k39 s LEU 15 CO 0.15 0.19 0.51 -1.61 0.23 0.00 0.00 176.35 175.81 2k39 s GLU 16 N 0.22 2.98 0.38 1.70 0.41 -1.26 -2.49 118.70 120.65 2k39 s GLU 16 Ca -0.09 -1.82 0.08 0.00 -0.41 0.00 0.00 54.97 52.73 2k39 s GLU 16 Cb -0.16 -4.25 -0.05 0.00 -1.78 0.00 0.00 34.13 27.89 2k39 s GLU 16 CO 0.06 -1.30 0.16 0.14 -0.49 0.00 0.00 175.26 173.83 2k39 s VAL 17 N 1.38 2.57 0.17 2.63 -7.23 0.22 -4.73 120.40 115.41 2k39 s VAL 17 Ca 0.05 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2k39 s VAL 17 Cb -0.27 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 33.64 2k39 s VAL 17 CO 0.01 -0.08 0.45 -1.61 -0.31 0.00 0.00 175.10 173.56 2k39 s GLU 18 N -3.88 3.71 0.31 4.82 0.41 -1.26 0.36 118.70 123.17 2k39 s GLU 18 Ca 0.40 0.09 0.26 0.00 -0.41 0.00 0.00 54.97 55.31 2k39 s GLU 18 Cb 0.01 -2.79 0.97 0.00 -1.78 0.00 0.00 34.13 30.54 2k39 s GLU 18 CO 0.23 0.42 1.77 -1.00 -0.49 0.00 0.00 175.26 176.19 2k39 h PRO 19 N 2.85 0.00 -0.00 0.39 0.13 -1.95 -2.88 132.00 130.54 2k39 h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k39 h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k39 h PRO 19 CO 0.70 0.00 -0.19 -1.13 -0.23 0.00 0.00 178.00 177.16 2k39 n SER 20 N -2.46 0.62 -4.81 1.44 3.41 -1.26 -1.50 113.62 109.06 2k39 n SER 20 Ca 0.03 -0.58 -0.33 0.00 -0.26 0.00 0.00 58.87 57.73 2k39 n SER 20 Cb 0.31 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k39 s ASP 21 N -2.57 6.02 0.53 4.04 2.15 -1.09 -4.69 116.67 121.06 2k39 s ASP 21 Ca 0.25 1.80 0.06 0.00 0.43 0.00 0.00 52.55 55.08 2k39 s ASP 21 Cb 0.19 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2k39 s ASP 21 CO 0.51 -1.01 0.73 0.42 -0.17 0.00 0.00 175.17 175.66 2k39 s THR 22 N -2.40 2.59 -0.16 1.71 -4.23 -1.26 -1.45 115.64 110.45 2k39 s THR 22 Ca 0.63 -0.87 0.17 0.00 -1.18 0.00 0.00 61.69 60.45 2k39 s THR 22 Cb -0.15 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 2k39 s THR 22 CO 0.33 0.00 1.11 0.40 -0.54 0.00 0.00 174.62 175.92 2k39 h ILE 23 N 0.24 0.56 -0.03 2.99 1.08 -1.96 -3.07 117.51 117.31 2k39 h ILE 23 Ca -0.37 -1.93 -0.09 0.00 -0.39 0.00 0.00 64.86 62.08 2k39 h ILE 23 Cb 1.28 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 2k39 h ILE 23 CO 0.45 0.32 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.75 2k39 h GLU 24 N 0.00 0.06 0.00 2.37 4.81 -1.96 0.40 114.58 120.26 2k39 h GLU 24 Ca -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k39 h GLU 24 Cb 1.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 2k39 h GLU 24 CO 0.05 0.45 -0.53 -0.97 -0.73 0.00 0.00 179.01 177.28 2k39 h ASN 25 N 0.05 0.00 0.04 1.04 -1.24 -1.95 -2.49 115.58 111.03 2k39 h ASN 25 Ca 0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 2k39 h ASN 25 Cb 0.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.78 2k39 h ASN 25 CO 0.05 0.04 -0.02 0.58 -1.29 0.00 0.00 177.43 176.79 2k39 h VAL 26 N 0.00 1.30 0.00 2.57 2.07 -1.00 -2.89 116.25 118.30 2k39 h VAL 26 Ca 0.00 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 2k39 h VAL 26 Cb 0.88 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2k39 h VAL 26 CO 0.00 0.30 -0.71 0.11 0.02 0.00 0.00 177.57 177.29 2k39 h LYS 27 N -0.60 0.00 0.00 1.57 1.57 -0.29 -2.18 116.57 116.64 2k39 h LYS 27 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 27 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2k39 h LYS 27 CO 0.01 0.71 -0.23 0.00 -0.57 0.00 0.00 179.45 179.37 2k39 h ALA 28 N 1.29 1.36 -0.46 3.86 0.00 -1.55 -0.18 119.26 123.58 2k39 h ALA 28 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2k39 h ALA 28 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k39 h ALA 28 CO 0.09 0.29 -0.14 0.87 0.00 0.00 0.00 179.25 180.36 2k39 h LYS 29 N 0.00 0.86 0.00 0.00 1.57 -1.17 -1.30 116.57 116.53 2k39 h LYS 29 Ca -0.00 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k39 h LYS 29 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2k39 h LYS 29 CO 0.03 0.94 -0.02 0.82 -0.57 0.00 0.00 179.45 180.66 2k39 h ILE 30 N 0.77 0.04 -0.05 1.86 2.04 -1.33 0.55 117.51 121.39 2k39 h ILE 30 Ca 0.12 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 2k39 h ILE 30 Cb 0.65 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2k39 h ILE 30 CO 0.05 0.02 -0.31 -0.61 0.00 0.00 0.00 178.15 177.29 2k39 h GLN 31 N 0.00 0.08 0.00 2.37 4.15 -0.21 0.12 115.11 121.62 2k39 h GLN 31 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2k39 h GLN 31 Cb 0.73 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 2k39 h GLN 31 CO 0.00 0.39 -0.26 0.22 -1.93 0.00 0.00 178.83 177.25 2k39 h ASP 32 N 0.07 0.00 0.00 -0.69 3.58 -0.46 -3.07 116.42 115.85 2k39 h ASP 32 Ca 0.01 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2k39 h ASP 32 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k39 h ASP 32 CO 0.04 0.73 0.00 0.29 -2.88 0.00 0.00 179.24 177.42 2k39 n LYS 33 N -4.68 0.00 -0.07 0.28 5.02 0.11 -4.51 118.16 114.30 2k39 n LYS 33 Ca -0.06 0.80 -0.06 0.00 -2.02 0.00 0.00 58.31 56.97 2k39 n LYS 33 Cb 0.20 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.47 1.06 0.00 1.97 -0.58 -0.67 -5.05 120.64 114.90 2k39 n GLU 34 Ca 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2k39 n GLU 34 Cb 0.00 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.85 0.33 3.68 0.62 0.00 0.32 -4.97 105.19 107.02 2k39 n GLY 35 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.84 0.43 -0.61 -1.09 -1.24 -4.82 121.20 116.71 2k39 s ILE 36 Ca 0.00 1.81 -0.23 0.00 -2.23 0.00 0.00 60.65 60.00 2k39 s ILE 36 Cb 0.00 -4.21 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 2k39 s ILE 36 CO 0.00 0.02 1.07 -2.16 -1.23 0.00 0.00 174.94 172.64 2k39 s PRO 37 N 2.05 4.01 0.19 2.79 0.04 -1.26 -3.54 135.00 139.28 2k39 s PRO 37 Ca 0.43 1.52 0.19 0.00 0.04 0.00 0.00 61.00 63.17 2k39 s PRO 37 Cb -0.17 -2.41 0.84 0.00 0.04 0.00 0.00 34.50 32.80 2k39 s PRO 37 CO 0.15 -0.28 1.58 -0.35 0.04 0.00 0.00 177.00 178.14 2k39 n PRO 38 N -0.36 0.12 0.00 0.56 -0.04 -1.26 -1.90 135.00 132.12 2k39 n PRO 38 Ca 0.06 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 2k39 n PRO 38 Cb 0.50 -1.77 0.63 0.00 -0.04 0.00 0.00 33.50 32.82 2k39 n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k39 n ASP 39 N -2.01 0.32 -0.08 3.54 5.75 -1.26 -3.00 116.55 119.81 2k39 n ASP 39 Ca 0.02 -0.37 0.06 0.00 -0.01 0.00 0.00 54.79 54.49 2k39 n ASP 39 Cb 0.16 -0.14 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 2k39 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2k39 n GLN 40 N -1.11 2.78 -3.30 0.11 -0.06 -0.80 -4.95 117.38 110.06 2k39 n GLN 40 Ca 0.13 -0.20 -0.39 0.00 -2.00 0.00 0.00 57.00 54.54 2k39 n GLN 40 Cb 0.28 -1.08 -0.07 0.00 -4.06 0.00 0.00 30.24 25.30 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2k39 s GLN 41 N -1.95 4.16 -0.02 3.69 -0.21 -1.10 -4.20 119.66 120.03 2k39 s GLN 41 Ca 0.06 0.31 0.05 0.00 0.02 0.00 0.00 55.36 55.80 2k39 s GLN 41 Cb 0.09 -3.57 -0.01 0.00 1.00 0.00 0.00 33.01 30.52 2k39 s GLN 41 CO 0.43 -0.15 -0.18 1.03 -2.12 0.00 0.00 175.29 174.30 2k39 s ARG 42 N 1.64 1.56 0.10 2.91 0.52 -1.12 -4.92 118.95 119.63 2k39 s ARG 42 Ca 0.21 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2k39 s ARG 42 Cb -0.15 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 2k39 s ARG 42 CO 0.09 0.35 0.09 -0.51 0.02 0.00 0.00 175.30 175.34 2k39 s LEU 43 N -0.31 3.80 -0.05 2.53 1.43 -1.26 -1.46 118.68 123.37 2k39 s LEU 43 Ca 0.04 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2k39 s LEU 43 Cb -0.08 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2k39 s LEU 43 CO 0.00 0.15 0.16 -0.63 0.23 0.00 0.00 176.35 176.26 2k39 s ILE 44 N -1.46 5.38 -0.19 -0.59 1.01 0.52 -2.20 121.20 123.67 2k39 s ILE 44 Ca 0.30 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 2k39 s ILE 44 Cb -0.12 -3.44 0.09 0.00 0.01 0.00 0.00 42.46 39.00 2k39 s ILE 44 CO 0.22 0.43 0.40 0.12 0.00 0.00 0.00 174.94 176.12 2k39 s PHE 45 N -1.20 -0.76 -1.42 3.97 5.36 -0.12 0.93 117.98 124.73 2k39 s PHE 45 Ca 0.22 1.45 -0.09 0.00 -0.96 0.00 0.00 56.93 57.55 2k39 s PHE 45 Cb -0.12 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 2k39 s PHE 45 CO 0.13 -0.48 1.05 0.00 -1.46 0.00 0.00 175.22 174.46 2k39 n ALA 46 N 5.39 -1.24 0.00 11.12 0.00 -1.26 -3.23 120.51 131.28 2k39 n ALA 46 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2k39 n ALA 46 Cb 0.49 -5.06 0.00 0.00 0.00 0.00 0.00 19.45 14.88 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 -1.87 1.28 2.96 0.00 0.00 -1.26 -5.06 105.19 101.24 2k39 n GLY 47 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2k39 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 48 N -0.18 0.72 0.07 1.61 2.20 -1.20 -5.13 119.74 117.83 2k39 s LYS 48 Ca 0.00 -0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.09 2k39 s LYS 48 Cb 0.00 -0.70 -0.06 0.00 -1.51 0.00 0.00 37.83 35.56 2k39 s LYS 48 CO 0.00 0.08 1.20 -1.14 -0.36 0.00 0.00 175.35 175.13 2k39 s GLN 49 N 0.21 4.44 0.14 4.03 0.74 -1.26 -0.95 119.66 127.01 2k39 s GLN 49 Ca -0.03 1.78 -0.30 0.00 0.05 0.00 0.00 55.36 56.86 2k39 s GLN 49 Cb -0.07 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.63 2k39 s GLN 49 CO 0.00 -0.25 1.17 -0.51 -0.55 0.00 0.00 175.29 175.16 2k39 s LEU 50 N 0.97 4.43 0.23 3.68 1.43 -0.93 -4.94 118.68 123.55 2k39 s LEU 50 Ca 0.58 2.13 -0.06 0.00 -1.03 0.00 0.00 54.13 55.75 2k39 s LEU 50 Cb -0.30 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.55 2k39 s LEU 50 CO 0.30 -0.36 1.80 -0.08 0.23 0.00 0.00 176.35 178.23 2k39 h GLU 51 N 5.72 1.12 0.00 1.70 4.81 -1.95 -3.45 114.58 122.52 2k39 h GLU 51 Ca -0.43 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2k39 h GLU 51 Cb 1.21 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2k39 h GLU 51 CO 0.76 0.92 0.00 -3.47 -0.73 0.00 0.00 179.01 176.49 2k39 n ASP 52 N -4.28 0.00 0.00 1.04 -0.08 -1.26 -5.09 116.55 106.88 2k39 n ASP 52 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2k39 n ASP 52 Cb 0.19 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.65 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k39 n GLY 53 N 1.04 1.19 3.82 0.27 0.00 -1.26 -5.11 105.19 105.15 2k39 n GLY 53 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.20 2.24 0.32 1.61 0.52 -1.26 -5.02 118.95 117.15 2k39 s ARG 54 Ca 0.00 -2.08 -0.07 0.00 -0.52 0.00 0.00 55.73 53.06 2k39 s ARG 54 Cb 0.00 -1.91 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 2k39 s ARG 54 CO 0.00 -0.42 0.61 0.95 0.02 0.00 0.00 175.30 176.46 2k39 s THR 55 N -2.76 4.95 0.13 0.02 -4.23 -1.26 -3.86 115.64 108.63 2k39 s THR 55 Ca 0.28 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.77 2k39 s THR 55 Cb 0.00 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.05 2k39 s THR 55 CO 0.16 -0.35 1.48 -0.07 -0.54 0.00 0.00 174.62 175.30 2k39 h LEU 56 N 1.65 -1.82 -0.66 4.79 4.07 -1.27 0.85 115.31 122.92 2k39 h LEU 56 Ca -0.47 0.27 0.12 0.00 0.08 0.00 0.00 57.88 57.87 2k39 h LEU 56 Cb 1.19 0.79 -0.12 0.00 1.08 0.00 0.00 40.66 43.59 2k39 h LEU 56 CO 0.66 -0.25 -0.29 -1.28 -1.08 0.00 0.00 178.44 176.19 2k39 h SER 57 N -0.11 -1.04 -0.46 -0.43 0.87 -1.44 -1.58 113.55 109.37 2k39 h SER 57 Ca 0.12 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2k39 h SER 57 Cb 0.41 0.55 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2k39 h SER 57 CO -0.73 -0.28 0.12 0.44 -0.53 0.00 0.00 176.83 175.84 2k39 h ASP 58 N -0.10 0.69 1.06 6.23 3.32 -1.75 -3.20 116.42 122.67 2k39 h ASP 58 Ca 0.28 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k39 h ASP 58 Cb 0.55 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2k39 h ASP 58 CO -0.72 0.74 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 2k39 n TYR 59 N -4.51 0.81 -0.59 4.55 4.19 0.26 -4.92 117.16 116.95 2k39 n TYR 59 Ca 0.01 0.28 0.00 0.00 3.31 0.00 0.00 57.90 61.49 2k39 n TYR 59 Cb 0.21 -0.95 0.00 0.00 0.49 0.00 0.00 39.34 39.09 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2k39 n ASN 60 N -2.20 -0.92 -4.55 2.98 2.85 -0.87 -5.07 115.26 107.48 2k39 n ASN 60 Ca 0.04 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.10 2k39 n ASN 60 Cb 0.32 -0.21 -0.09 0.00 1.24 0.00 0.00 39.78 41.04 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -2.00 5.11 0.00 -1.44 1.01 -0.65 -5.01 121.20 118.22 2k39 s ILE 61 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2k39 s ILE 61 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2k39 s ILE 61 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 174.94 174.81 2k39 n GLN 62 N 5.53 3.88 -1.56 2.79 3.00 -1.26 -4.22 117.38 125.53 2k39 n GLN 62 Ca -0.07 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.45 2k39 n GLN 62 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.69 2k39 n GLN 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2k39 n LYS 63 N 0.00 1.75 -1.29 -1.09 4.81 -1.26 -2.99 118.16 118.09 2k39 n LYS 63 Ca 0.00 0.52 -0.04 0.00 -0.87 0.00 0.00 58.31 57.93 2k39 n LYS 63 Cb 0.00 -2.88 -0.01 0.00 0.02 0.00 0.00 35.03 32.15 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 8.19 -0.26 -1.89 1.64 4.71 -0.36 -4.99 120.64 127.69 2k39 n GLU 64 Ca 0.32 0.54 -0.42 0.00 -0.01 0.00 0.00 57.16 57.59 2k39 n GLU 64 Cb 0.35 -4.20 -0.03 0.00 -1.01 0.00 0.00 31.44 26.55 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2k39 s SER 65 N -2.94 6.56 -0.41 1.62 0.01 -1.16 -4.62 113.70 112.75 2k39 s SER 65 Ca 0.00 2.60 -0.22 0.00 1.31 0.00 0.00 55.95 59.64 2k39 s SER 65 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2k39 s SER 65 CO 0.00 -0.89 0.70 -0.89 0.41 0.00 0.00 173.24 172.57 2k39 s THR 66 N 1.98 4.78 0.25 1.44 2.01 -1.26 -1.37 115.64 123.47 2k39 s THR 66 Ca 0.73 0.40 -0.07 0.00 0.31 0.00 0.00 61.69 63.06 2k39 s THR 66 Cb -0.43 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 2k39 s THR 66 CO 0.32 -0.55 0.54 -0.76 -0.69 0.00 0.00 174.62 173.48 2k39 s LEU 67 N 2.96 4.12 -0.06 4.42 1.43 -0.69 -4.80 118.68 126.06 2k39 s LEU 67 Ca 0.26 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2k39 s LEU 67 Cb -0.13 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2k39 s LEU 67 CO 0.19 -0.12 -0.01 -1.00 0.23 0.00 0.00 176.35 175.63 2k39 s HIS 68 N -1.93 3.09 -0.00 0.29 3.76 0.26 -1.45 115.29 119.30 2k39 s HIS 68 Ca 0.45 0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.48 2k39 s HIS 68 Cb -0.11 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 2k39 s HIS 68 CO 0.26 0.44 0.08 -1.17 -0.85 0.00 0.00 174.74 173.50 2k39 s LEU 69 N -1.05 3.90 0.03 0.89 2.96 -0.69 -0.36 118.68 124.37 2k39 s LEU 69 Ca 0.15 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2k39 s LEU 69 Cb -0.11 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2k39 s LEU 69 CO 0.04 0.27 0.06 0.68 -1.32 0.00 0.00 176.35 176.09 2k39 s VAL 70 N -1.20 0.12 0.20 1.68 -7.23 -0.53 -4.27 120.40 109.17 2k39 s VAL 70 Ca 0.23 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2k39 s VAL 70 Cb -0.12 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2k39 s VAL 70 CO 0.14 -0.57 0.37 -0.76 -0.31 0.00 0.00 175.10 173.97 2k39 s LEU 71 N -1.88 4.25 -1.16 1.32 1.43 -1.26 -2.81 118.68 118.58 2k39 s LEU 71 Ca -0.09 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 2k39 s LEU 71 Cb -0.04 -3.08 0.24 0.00 0.03 0.00 0.00 46.19 43.34 2k39 s LEU 71 CO -0.03 -0.03 1.27 -1.14 0.23 0.00 0.00 176.35 176.64 2k39 n ARG 72 N -0.76 3.52 0.01 1.70 0.63 -1.26 -4.79 116.66 115.71 2k39 n ARG 72 Ca -0.06 -4.22 -0.14 0.00 -0.92 0.00 0.00 57.85 52.51 2k39 n ARG 72 Cb 0.54 -2.73 -0.14 0.00 0.45 0.00 0.00 32.46 30.58 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2k39 h LEU 73 N 7.72 0.19 0.08 6.15 3.38 -1.97 -3.41 115.31 127.45 2k39 h LEU 73 Ca 0.24 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.49 2k39 h LEU 73 Cb 0.85 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2k39 h LEU 73 CO 1.13 1.33 -1.90 -1.14 0.09 0.00 0.00 178.44 177.95 2k39 n ARG 74 N -3.26 0.70 0.00 1.13 0.63 -1.26 -5.08 116.66 109.52 2k39 n ARG 74 Ca -0.20 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2k39 n ARG 74 Cb 1.04 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 32.26 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 1.86 0.50 0.09 5.14 0.00 -1.26 -5.33 105.19 106.18 2k39 n GLY 75 Ca -0.34 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93