#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 3.55 0.01 2.12 0.74 -1.26 0.34 119.66 125.16 2k39 s GLN 2 Ca 0.00 -0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 2k39 s GLN 2 Cb 0.00 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.93 2k39 s GLN 2 CO 0.00 0.64 0.07 0.96 -0.55 0.00 0.00 175.29 176.40 2k39 s ILE 3 N -0.63 0.09 -0.05 -2.34 -4.36 -0.14 -0.75 121.20 113.02 2k39 s ILE 3 Ca 0.12 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 2k39 s ILE 3 Cb -0.12 -0.35 -0.03 0.00 1.25 0.00 0.00 42.46 43.21 2k39 s ILE 3 CO 0.02 -0.42 -0.03 -0.36 0.24 0.00 0.00 174.94 174.38 2k39 s PHE 4 N -1.39 3.02 -0.23 1.37 0.08 0.17 0.26 117.98 121.26 2k39 s PHE 4 Ca -0.15 0.08 -0.05 0.00 0.12 0.00 0.00 56.93 56.93 2k39 s PHE 4 Cb -0.09 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2k39 s PHE 4 CO 0.00 0.40 -0.00 0.08 -0.10 0.00 0.00 175.22 175.60 2k39 s VAL 5 N -0.90 3.66 -0.42 -0.44 1.01 0.31 -2.27 120.40 121.35 2k39 s VAL 5 Ca 0.14 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2k39 s VAL 5 Cb -0.11 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2k39 s VAL 5 CO 0.04 0.37 0.64 -0.75 0.00 0.00 0.00 175.10 175.41 2k39 s LYS 6 N 1.52 3.39 0.90 2.72 2.20 0.03 -1.12 119.74 129.38 2k39 s LYS 6 Ca 0.06 -0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 2k39 s LYS 6 Cb -0.15 -3.91 0.13 0.00 -1.51 0.00 0.00 37.83 32.39 2k39 s LYS 6 CO -0.01 -0.94 1.10 0.95 -0.36 0.00 0.00 175.35 176.09 2k39 s THR 7 N 2.80 2.60 -1.30 3.43 -4.23 -0.66 -2.10 115.64 116.17 2k39 s THR 7 Ca 0.23 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 61.06 2k39 s THR 7 Cb -0.14 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.40 2k39 s THR 7 CO 0.18 -0.26 1.35 0.00 -0.54 0.00 0.00 174.62 175.35 2k39 n LEU 8 N -4.01 0.00 -0.05 4.79 -0.00 -0.95 -2.75 117.00 114.03 2k39 n LEU 8 Ca 0.09 0.35 0.03 0.00 -0.00 0.00 0.00 56.01 56.48 2k39 n LEU 8 Cb 0.53 -0.35 0.05 0.00 -0.00 0.00 0.00 43.42 43.65 2k39 n LEU 8 CO 0.53 -0.20 0.49 0.35 -0.00 0.00 0.00 177.39 178.56 2k39 n THR 9 N -1.35 1.15 0.00 1.47 -2.24 -1.26 -5.01 114.28 107.03 2k39 n THR 9 Ca 0.05 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 2k39 n THR 9 Cb 0.12 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.74 2.16 3.75 3.38 0.00 -1.11 -5.07 105.19 107.55 2k39 n GLY 10 Ca 0.05 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.06 0.06 1.61 -2.85 -1.26 -4.75 119.74 115.61 2k39 s LYS 11 Ca 0.00 2.12 0.02 0.00 -1.00 0.00 0.00 55.97 57.11 2k39 s LYS 11 Cb 0.00 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.58 2k39 s LYS 11 CO 0.00 -1.22 0.08 0.99 0.10 0.00 0.00 175.35 175.30 2k39 s THR 12 N -1.37 4.55 -0.13 3.79 2.01 -1.26 -1.66 115.64 121.57 2k39 s THR 12 Ca 0.74 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2k39 s THR 12 Cb -0.38 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 68.98 2k39 s THR 12 CO 0.43 0.17 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.71 2k39 s ILE 13 N -1.35 1.82 0.12 1.82 1.09 -0.27 -4.99 121.20 119.44 2k39 s ILE 13 Ca 0.28 -0.83 -0.30 0.00 -1.10 0.00 0.00 60.65 58.70 2k39 s ILE 13 Cb -0.12 -1.63 -0.06 0.00 -1.06 0.00 0.00 42.46 39.59 2k39 s ILE 13 CO 0.20 0.50 1.03 -0.89 -0.10 0.00 0.00 174.94 175.68 2k39 s THR 14 N 0.91 4.30 -0.11 2.92 2.01 -1.26 -0.53 115.64 123.88 2k39 s THR 14 Ca -0.06 1.88 0.01 0.00 0.31 0.00 0.00 61.69 63.83 2k39 s THR 14 Cb -0.15 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2k39 s THR 14 CO -0.02 0.27 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.27 2k39 s LEU 15 N 0.07 2.61 -0.31 4.42 1.43 0.14 -4.94 118.68 122.09 2k39 s LEU 15 Ca 0.49 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 2k39 s LEU 15 Cb -0.25 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2k39 s LEU 15 CO 0.31 0.20 0.33 -0.70 0.23 0.00 0.00 176.35 176.73 2k39 s GLU 16 N 0.11 3.73 0.05 1.70 -6.30 -1.26 -0.97 118.70 115.76 2k39 s GLU 16 Ca -0.07 -0.30 0.01 0.00 -2.50 0.00 0.00 54.97 52.11 2k39 s GLU 16 Cb -0.15 -3.74 -0.00 0.00 0.00 0.00 0.00 34.13 30.23 2k39 s GLU 16 CO 0.05 -0.41 0.05 1.33 0.02 0.00 0.00 175.26 176.30 2k39 n VAL 17 N 5.17 0.00 -4.06 3.70 0.24 0.15 -4.92 118.33 118.62 2k39 n VAL 17 Ca -0.10 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 2k39 n VAL 17 Cb 0.50 0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 32.94 2k39 n VAL 17 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2k39 s GLU 18 N -2.20 0.43 0.54 7.34 -6.30 -1.26 -0.46 118.70 116.79 2k39 s GLU 18 Ca 0.06 -0.54 0.22 0.00 -2.50 0.00 0.00 54.97 52.21 2k39 s GLU 18 Cb 0.00 -0.24 1.41 0.00 0.00 0.00 0.00 34.13 35.30 2k39 s GLU 18 CO 0.04 0.05 2.09 -1.35 0.02 0.00 0.00 175.26 176.11 2k39 h PRO 19 N 5.02 0.00 -0.07 4.30 0.11 -1.98 -2.91 132.00 136.47 2k39 h PRO 19 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2k39 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k39 h PRO 19 CO 0.44 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 2k39 n SER 20 N -4.33 1.99 -4.65 -2.05 3.41 -1.26 -2.91 113.62 103.83 2k39 n SER 20 Ca 0.02 -1.68 -0.43 0.00 -0.26 0.00 0.00 58.87 56.53 2k39 n SER 20 Cb 0.32 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.89 6.99 0.38 4.04 1.01 -1.10 -4.90 116.67 121.21 2k39 s ASP 21 Ca 0.35 1.18 -0.25 0.00 0.71 0.00 0.00 52.55 54.53 2k39 s ASP 21 Cb 0.20 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.49 2k39 s ASP 21 CO 0.31 -0.74 1.01 0.35 0.21 0.00 0.00 175.17 176.31 2k39 n THR 22 N 5.56 2.27 -0.22 -1.27 -2.24 -1.26 -3.63 114.28 113.48 2k39 n THR 22 Ca 0.11 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.37 2k39 n THR 22 Cb 0.47 -1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2k39 n THR 22 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2k39 n ILE 23 N -0.28 -0.33 -0.26 2.28 2.08 -0.92 -0.72 119.36 121.22 2k39 n ILE 23 Ca 0.09 1.33 0.03 0.00 0.56 0.00 0.00 62.75 64.76 2k39 n ILE 23 Cb 0.37 -1.72 0.16 0.00 -0.75 0.00 0.00 39.64 37.71 2k39 n ILE 23 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k39 h GLU 24 N 0.00 0.57 0.00 0.38 4.39 -1.93 0.05 114.58 118.04 2k39 h GLU 24 Ca 0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2k39 h GLU 24 Cb 0.30 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2k39 h GLU 24 CO -0.55 0.38 0.00 0.09 -1.16 0.00 0.00 179.01 177.77 2k39 n ASN 25 N -4.88 0.54 -0.09 1.42 4.13 0.11 -1.73 115.26 114.76 2k39 n ASN 25 Ca 0.13 0.76 -0.13 0.00 1.68 0.00 0.00 54.58 57.01 2k39 n ASN 25 Cb 0.32 -0.82 -0.15 0.00 -1.54 0.00 0.00 39.78 37.59 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 -2.24 1.48 0.14 2.41 0.31 -0.17 -3.62 118.33 116.65 2k39 n VAL 26 Ca -0.01 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 2k39 n VAL 26 Cb 0.03 -0.90 0.13 0.00 -0.91 0.00 0.00 33.84 32.20 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 0.01 0.00 0.42 5.55 1.57 -0.81 -2.70 116.57 120.61 2k39 h LYS 27 Ca -0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2k39 h LYS 27 Cb 2.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 2k39 h LYS 27 CO 0.01 0.60 -0.35 0.00 -0.57 0.00 0.00 179.45 179.14 2k39 h ALA 28 N 1.40 -0.80 -1.57 3.86 0.00 -1.52 -2.98 119.26 117.66 2k39 h ALA 28 Ca -0.01 -0.14 0.46 0.00 0.00 0.00 0.00 54.91 55.22 2k39 h ALA 28 Cb 1.24 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 2k39 h ALA 28 CO 0.08 -0.98 1.14 0.87 0.00 0.00 0.00 179.25 180.36 2k39 h LYS 29 N -0.77 0.00 0.00 0.00 1.57 -1.60 -0.78 116.57 114.99 2k39 h LYS 29 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 2k39 h LYS 29 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2k39 h LYS 29 CO -0.02 0.00 -0.77 0.82 -0.57 0.00 0.00 179.45 178.91 2k39 h ILE 30 N 0.00 1.42 0.04 1.86 2.04 -1.32 -3.29 117.51 118.26 2k39 h ILE 30 Ca 0.75 -2.76 -0.24 0.00 1.00 0.00 0.00 64.86 63.61 2k39 h ILE 30 Cb 3.01 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 41.63 2k39 h ILE 30 CO -0.01 0.75 -1.02 -0.61 0.00 0.00 0.00 178.15 177.26 2k39 h GLN 31 N 0.00 0.33 -0.38 2.37 4.15 -1.10 -1.09 115.11 119.39 2k39 h GLN 31 Ca -0.01 -0.41 0.07 0.00 0.77 0.00 0.00 58.65 59.07 2k39 h GLN 31 Cb 1.48 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.28 2k39 h GLN 31 CO 0.10 1.12 0.26 0.22 -1.93 0.00 0.00 178.83 178.60 2k39 h ASP 32 N 0.16 0.20 0.00 -0.69 3.58 -1.57 -1.66 116.42 116.44 2k39 h ASP 32 Ca -0.09 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.08 2k39 h ASP 32 Cb 1.69 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.65 2k39 h ASP 32 CO 0.17 0.13 -1.59 0.29 -2.88 0.00 0.00 179.24 175.36 2k39 n LYS 33 N -4.47 0.57 -0.00 0.28 4.76 -1.01 -4.78 118.16 113.50 2k39 n LYS 33 Ca 0.05 0.48 0.04 0.00 -2.87 0.00 0.00 58.31 56.01 2k39 n LYS 33 Cb 0.30 -1.67 -0.06 0.00 -1.84 0.00 0.00 35.03 31.76 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k39 n GLU 34 N -4.39 0.64 -0.02 1.97 -0.58 -0.44 -5.03 120.64 112.78 2k39 n GLU 34 Ca -0.37 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 2k39 n GLU 34 Cb 0.72 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 1.96 0.32 3.61 0.62 0.00 -0.63 -5.03 105.19 106.05 2k39 n GLY 35 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.05 4.36 0.63 -0.61 1.01 -1.26 -4.97 121.20 118.31 2k39 s ILE 36 Ca 0.00 1.40 -0.18 0.00 0.00 0.00 0.00 60.65 61.87 2k39 s ILE 36 Cb 0.00 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 2k39 s ILE 36 CO 0.00 -0.76 1.23 -2.16 0.00 0.00 0.00 174.94 173.25 2k39 s PRO 37 N 4.04 2.73 0.26 2.79 0.04 -1.26 -4.00 135.00 139.59 2k39 s PRO 37 Ca 0.46 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 2k39 s PRO 37 Cb -0.10 -1.89 0.38 0.00 0.04 0.00 0.00 34.50 32.93 2k39 s PRO 37 CO 0.24 -1.41 1.57 -1.35 0.04 0.00 0.00 177.00 176.09 2k39 h PRO 38 N 0.59 -0.01 -0.10 0.56 0.11 -1.96 -2.70 132.00 128.50 2k39 h PRO 38 Ca -0.50 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 38 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2k39 h PRO 38 CO 0.54 -0.00 0.19 0.22 -0.21 0.00 0.00 178.00 178.73 2k39 h ASP 39 N -0.01 0.00 0.29 -2.05 3.58 -1.96 -2.20 116.42 114.08 2k39 h ASP 39 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2k39 h ASP 39 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2k39 h ASP 39 CO -0.94 0.00 -1.02 1.67 -2.88 0.00 0.00 179.24 176.07 2k39 n GLN 40 N -3.41 0.20 -3.51 0.28 7.27 -1.02 -4.94 117.38 112.26 2k39 n GLN 40 Ca -0.00 -0.02 -0.38 0.00 0.07 0.00 0.00 57.00 56.67 2k39 n GLN 40 Cb 0.28 -1.55 -0.06 0.00 2.41 0.00 0.00 30.24 31.32 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k39 s GLN 41 N -3.14 4.02 -0.14 3.69 -0.21 -0.83 -2.21 119.66 120.84 2k39 s GLN 41 Ca 0.05 0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.74 2k39 s GLN 41 Cb 0.15 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 2k39 s GLN 41 CO 0.81 0.51 -0.15 1.03 -2.12 0.00 0.00 175.29 175.38 2k39 s ARG 42 N -0.47 3.27 -0.27 2.91 0.52 -0.41 -4.98 118.95 119.53 2k39 s ARG 42 Ca 0.22 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 2k39 s ARG 42 Cb -0.15 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 2k39 s ARG 42 CO 0.10 0.10 0.14 -0.51 0.02 0.00 0.00 175.30 175.15 2k39 s LEU 43 N 0.61 3.80 0.15 2.53 1.43 -1.26 -1.99 118.68 123.96 2k39 s LEU 43 Ca -0.08 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2k39 s LEU 43 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2k39 s LEU 43 CO 0.03 -0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.81 2k39 s ILE 44 N 1.70 3.14 -0.29 -0.59 -1.09 0.89 -0.07 121.20 124.88 2k39 s ILE 44 Ca 0.07 -1.56 -0.15 0.00 -2.23 0.00 0.00 60.65 56.77 2k39 s ILE 44 Cb -0.16 -2.51 0.14 0.00 -1.58 0.00 0.00 42.46 38.35 2k39 s ILE 44 CO 0.08 -0.03 0.93 0.12 -1.23 0.00 0.00 174.94 174.81 2k39 s PHE 45 N -1.50 -0.69 -0.25 3.97 5.36 -0.24 -0.89 117.98 123.74 2k39 s PHE 45 Ca 0.23 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 2k39 s PHE 45 Cb -0.10 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 2k39 s PHE 45 CO 0.14 -0.34 0.00 0.00 -1.46 0.00 0.00 175.22 173.55 2k39 n ALA 46 N 4.17 -0.04 -0.13 11.12 0.00 -1.26 -3.07 120.51 131.31 2k39 n ALA 46 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k39 n ALA 46 Cb 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.31 0.93 3.53 0.00 0.00 -1.26 -5.05 105.19 101.03 2k39 n GLY 47 Ca -0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.41 1.01 0.34 1.61 -2.85 -1.17 -5.15 119.74 113.12 2k39 s LYS 48 Ca 0.00 0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 54.99 2k39 s LYS 48 Cb 0.00 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 2k39 s LYS 48 CO 0.00 -0.31 1.06 -1.14 0.10 0.00 0.00 175.35 175.07 2k39 s GLN 49 N -1.10 4.41 -0.27 1.78 2.00 -1.26 -1.08 119.66 124.14 2k39 s GLN 49 Ca -0.10 1.64 -0.29 0.00 -2.00 0.00 0.00 55.36 54.61 2k39 s GLN 49 Cb -0.00 -2.87 0.00 0.00 0.80 0.00 0.00 33.01 30.94 2k39 s GLN 49 CO 0.09 0.05 1.19 -0.51 -0.50 0.00 0.00 175.29 175.61 2k39 s LEU 50 N -2.04 3.99 0.42 3.68 1.43 0.90 -4.92 118.68 122.14 2k39 s LEU 50 Ca 0.51 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.72 2k39 s LEU 50 Cb -0.27 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 2k39 s LEU 50 CO 0.34 -0.90 0.90 -0.70 0.23 0.00 0.00 176.35 176.22 2k39 s GLU 51 N 3.74 4.11 -0.02 1.70 2.56 -1.26 -4.84 118.70 124.70 2k39 s GLU 51 Ca 0.51 0.96 -0.30 0.00 0.00 0.00 0.00 54.97 56.15 2k39 s GLU 51 Cb -0.16 -2.24 -0.07 0.00 2.00 0.00 0.00 34.13 33.66 2k39 s GLU 51 CO 0.17 -0.03 1.74 0.34 -0.56 0.00 0.00 175.26 176.92 2k39 s ASP 52 N -2.39 6.60 0.00 -1.70 2.15 -1.26 -3.95 116.67 116.13 2k39 s ASP 52 Ca 0.59 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.96 2k39 s ASP 52 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2k39 s ASP 52 CO 0.18 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 2k39 n GLY 53 N 4.23 1.36 3.08 2.66 0.00 -1.26 -5.13 105.19 110.12 2k39 n GLY 53 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 0.66 0.09 1.61 0.52 -1.25 -5.06 118.95 115.51 2k39 s ARG 54 Ca 0.00 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2k39 s ARG 54 Cb 0.00 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 2k39 s ARG 54 CO 0.00 0.13 0.02 0.95 0.02 0.00 0.00 175.30 176.42 2k39 s THR 55 N -0.96 4.16 0.21 0.02 -4.23 -1.26 -2.17 115.64 111.42 2k39 s THR 55 Ca -0.03 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2k39 s THR 55 Cb -0.08 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.09 2k39 s THR 55 CO 0.01 0.13 1.11 0.18 -0.54 0.00 0.00 174.62 175.50 2k39 n LEU 56 N 0.56 -0.16 -0.07 4.79 4.77 -1.20 -0.76 117.00 124.93 2k39 n LEU 56 Ca -0.10 1.21 0.14 0.00 -0.03 0.00 0.00 56.01 57.23 2k39 n LEU 56 Cb 0.52 -0.41 0.59 0.00 -2.33 0.00 0.00 43.42 41.79 2k39 n LEU 56 CO 0.40 -1.20 0.86 -1.54 -1.33 0.00 0.00 177.39 174.58 2k39 n SER 57 N -5.05 0.33 -0.00 -1.43 3.41 -1.14 0.08 113.62 109.82 2k39 n SER 57 Ca 0.14 -0.30 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 2k39 n SER 57 Cb 0.46 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 2k39 n SER 57 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k39 n ASP 58 N -1.16 0.90 -0.00 4.04 2.03 0.06 -3.86 116.55 118.56 2k39 n ASP 58 Ca 0.12 -0.90 0.10 0.00 0.52 0.00 0.00 54.79 54.63 2k39 n ASP 58 Cb 0.29 1.07 -0.14 0.00 -0.72 0.00 0.00 41.12 41.62 2k39 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n TYR 59 N -1.52 0.00 -2.84 -0.67 4.19 -0.95 -4.94 117.16 110.42 2k39 n TYR 59 Ca 0.03 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.16 2k39 n TYR 59 Cb 0.33 -0.21 0.03 0.00 0.49 0.00 0.00 39.34 39.97 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 -1.80 -3.46 -4.47 2.98 5.15 -0.81 -5.01 115.26 107.83 2k39 n ASN 60 Ca 0.00 -0.18 -0.43 0.00 -0.60 0.00 0.00 54.58 53.38 2k39 n ASN 60 Cb 0.42 -2.03 -0.03 0.00 -0.53 0.00 0.00 39.78 37.60 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 -3.08 4.34 0.90 -1.44 1.01 0.11 -4.99 121.20 118.05 2k39 s ILE 61 Ca 0.19 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2k39 s ILE 61 Cb -0.08 -4.76 0.13 0.00 0.01 0.00 0.00 42.46 37.76 2k39 s ILE 61 CO 0.24 -1.55 1.13 -1.58 0.00 0.00 0.00 174.94 173.18 2k39 s GLN 62 N 3.94 1.21 0.31 2.79 2.00 -1.26 -4.53 119.66 124.11 2k39 s GLN 62 Ca 0.28 0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 53.69 2k39 s GLN 62 Cb -0.12 -1.84 -0.13 0.00 0.80 0.00 0.00 33.01 31.71 2k39 s GLN 62 CO 0.04 -2.16 1.07 0.36 -0.50 0.00 0.00 175.29 174.10 2k39 n LYS 63 N -3.75 1.51 -4.12 1.67 -0.00 -1.26 -2.93 118.16 109.29 2k39 n LYS 63 Ca 0.07 0.53 -0.34 0.00 -0.00 0.00 0.00 58.31 58.57 2k39 n LYS 63 Cb 0.59 -1.95 -0.08 0.00 -0.00 0.00 0.00 35.03 33.59 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k39 n GLU 64 N 0.66 -0.82 -1.73 -1.58 1.02 0.08 -4.99 120.64 113.27 2k39 n GLU 64 Ca 0.08 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.95 2k39 n GLU 64 Cb 0.33 -3.74 0.05 0.00 -0.02 0.00 0.00 31.44 28.06 2k39 n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k39 n SER 65 N -2.18 2.43 -4.36 1.62 7.64 -1.15 -4.83 113.62 112.78 2k39 n SER 65 Ca -0.04 0.93 -0.34 0.00 1.01 0.00 0.00 58.87 60.43 2k39 n SER 65 Cb 0.47 -1.56 -0.14 0.00 -1.01 0.00 0.00 64.21 61.97 2k39 n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k39 s THR 66 N -1.32 3.28 0.23 0.44 2.01 -1.26 -0.66 115.64 118.36 2k39 s THR 66 Ca 0.75 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.29 2k39 s THR 66 Cb -0.41 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2k39 s THR 66 CO 0.46 0.48 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.96 2k39 s LEU 67 N 0.79 2.57 -0.20 4.42 1.02 -0.96 -4.98 118.68 121.34 2k39 s LEU 67 Ca -0.03 -1.02 0.00 0.00 0.02 0.00 0.00 54.13 53.10 2k39 s LEU 67 Cb -0.15 -0.80 0.05 0.00 0.02 0.00 0.00 46.19 45.31 2k39 s LEU 67 CO 0.01 -0.11 -0.07 -1.00 0.02 0.00 0.00 176.35 175.20 2k39 s HIS 68 N -2.84 2.14 -0.25 0.29 3.76 -0.07 -0.79 115.29 117.53 2k39 s HIS 68 Ca 0.25 -1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 53.53 2k39 s HIS 68 Cb -0.02 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 2k39 s HIS 68 CO 0.09 -0.71 0.51 -1.17 -0.85 0.00 0.00 174.74 172.62 2k39 s LEU 69 N 1.49 4.07 0.14 0.89 2.96 -0.89 -0.08 118.68 127.25 2k39 s LEU 69 Ca -0.02 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 2k39 s LEU 69 Cb -0.17 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2k39 s LEU 69 CO -0.07 -0.26 -0.16 0.68 -1.32 0.00 0.00 176.35 175.21 2k39 s VAL 70 N 2.16 1.55 0.08 1.68 -7.23 -0.84 -2.23 120.40 115.57 2k39 s VAL 70 Ca 0.22 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2k39 s VAL 70 Cb -0.16 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2k39 s VAL 70 CO 0.09 -0.35 -0.20 -1.48 -0.31 0.00 0.00 175.10 172.85 2k39 s LEU 71 N -2.50 2.26 0.00 1.32 0.05 -1.26 -1.29 118.68 117.26 2k39 s LEU 71 Ca 0.11 -0.63 -0.01 0.00 0.05 0.00 0.00 54.13 53.65 2k39 s LEU 71 Cb -0.06 -0.87 0.03 0.00 -2.05 0.00 0.00 46.19 43.24 2k39 s LEU 71 CO 0.05 0.07 0.17 0.54 -0.55 0.00 0.00 176.35 176.63 2k39 n ARG 72 N 1.32 0.20 -2.02 1.48 1.74 -0.94 -4.99 116.66 113.45 2k39 n ARG 72 Ca -0.19 -0.37 -0.29 0.00 -0.77 0.00 0.00 57.85 56.23 2k39 n ARG 72 Cb 0.54 -0.15 0.18 0.00 -1.02 0.00 0.00 32.46 32.01 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 2.76 0.00 0.55 1.43 -1.26 -4.74 118.68 117.43 2k39 s LEU 73 Ca 0.11 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2k39 s LEU 73 Cb -0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2k39 s LEU 73 CO 0.07 -2.68 0.00 -1.14 0.23 0.00 0.00 176.35 172.83 2k39 n ARG 74 N -3.68 0.00 0.00 1.70 0.63 -1.26 -4.84 116.66 109.21 2k39 n ARG 74 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2k39 n ARG 74 Cb 0.59 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 32.24 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 -0.47 -0.32 0.00 5.14 0.00 -1.26 -4.84 105.19 103.44 2k39 n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93