#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 4.25 0.31 2.12 0.74 -1.26 -2.76 119.66 123.06 2k39 s GLN 2 Ca 0.00 1.72 0.03 0.00 0.05 0.00 0.00 55.36 57.17 2k39 s GLN 2 Cb 0.00 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 2k39 s GLN 2 CO 0.00 -0.67 0.17 0.96 -0.55 0.00 0.00 175.29 175.20 2k39 s ILE 3 N 3.26 0.29 0.18 -2.34 -4.36 -1.20 -0.53 121.20 116.50 2k39 s ILE 3 Ca 0.57 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 59.05 2k39 s ILE 3 Cb -0.24 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 2k39 s ILE 3 CO 0.18 0.00 -0.20 -0.36 0.24 0.00 0.00 174.94 174.80 2k39 s PHE 4 N -3.59 1.94 -0.08 1.37 0.08 -1.19 -0.69 117.98 115.83 2k39 s PHE 4 Ca 0.36 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.00 2k39 s PHE 4 Cb 0.05 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 2k39 s PHE 4 CO 0.18 0.38 -0.19 0.14 -0.10 0.00 0.00 175.22 175.64 2k39 s VAL 5 N -1.98 1.62 -0.13 -0.44 -7.23 -0.67 -1.48 120.40 110.08 2k39 s VAL 5 Ca 0.17 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2k39 s VAL 5 Cb -0.06 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 2k39 s VAL 5 CO 0.08 0.46 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.49 2k39 s LYS 6 N 0.41 3.42 0.42 4.82 2.20 -0.08 -1.25 119.74 129.68 2k39 s LYS 6 Ca -0.15 -0.60 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2k39 s LYS 6 Cb -0.16 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2k39 s LYS 6 CO 0.06 0.29 0.59 0.95 -0.36 0.00 0.00 175.35 176.87 2k39 s THR 7 N 0.20 3.18 -2.65 3.43 -4.23 -0.83 -0.71 115.64 114.01 2k39 s THR 7 Ca -0.05 -0.93 0.27 0.00 -1.18 0.00 0.00 61.69 59.80 2k39 s THR 7 Cb -0.14 -3.09 0.43 0.00 1.34 0.00 0.00 72.50 71.04 2k39 s THR 7 CO 0.04 -0.04 1.59 0.18 -0.54 0.00 0.00 174.62 175.85 2k39 n LEU 8 N -1.89 1.97 -0.04 4.79 4.77 -1.26 -3.80 117.00 121.55 2k39 n LEU 8 Ca 0.06 -0.66 0.03 0.00 -0.03 0.00 0.00 56.01 55.42 2k39 n LEU 8 Cb 0.59 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 2k39 n LEU 8 CO 0.41 0.33 -0.85 0.35 -1.33 0.00 0.00 177.39 176.29 2k39 n THR 9 N 0.54 0.44 0.00 -5.08 -2.24 -1.26 -5.04 114.28 101.64 2k39 n THR 9 Ca 0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2k39 n THR 9 Cb 0.43 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.60 1.33 3.74 3.38 0.00 -1.25 -5.09 105.19 108.90 2k39 n GLY 10 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 2.67 -0.24 1.61 -2.85 -1.26 -4.88 119.74 114.79 2k39 s LYS 11 Ca 0.00 2.01 -0.04 0.00 -1.00 0.00 0.00 55.97 56.95 2k39 s LYS 11 Cb 0.00 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2k39 s LYS 11 CO 0.00 -1.50 -0.03 0.99 0.10 0.00 0.00 175.35 174.91 2k39 s THR 12 N -1.44 3.30 -0.17 3.79 2.01 -1.26 -1.97 115.64 119.90 2k39 s THR 12 Ca 0.81 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 2k39 s THR 12 Cb -0.36 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2k39 s THR 12 CO 0.38 0.31 0.11 -0.63 -0.69 0.00 0.00 174.62 174.10 2k39 s ILE 13 N 1.44 5.19 0.10 1.82 1.01 -0.38 -5.00 121.20 125.38 2k39 s ILE 13 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 2k39 s ILE 13 Cb -0.15 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 2k39 s ILE 13 CO -0.03 0.50 0.40 0.28 0.00 0.00 0.00 174.94 176.09 2k39 s THR 14 N -0.07 5.11 0.34 2.92 -1.32 -1.26 -1.67 115.64 119.69 2k39 s THR 14 Ca 0.09 0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 2k39 s THR 14 Cb -0.12 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.23 2k39 s THR 14 CO 0.00 0.20 0.07 0.18 -2.21 0.00 0.00 174.62 172.86 2k39 n LEU 15 N 0.62 0.00 -3.59 9.08 4.32 0.14 -4.96 117.00 122.60 2k39 n LEU 15 Ca -0.06 -2.38 -0.11 0.00 -0.02 0.00 0.00 56.01 53.44 2k39 n LEU 15 Cb 0.52 0.60 -0.11 0.00 -1.62 0.00 0.00 43.42 42.82 2k39 n LEU 15 CO 0.44 -0.36 -0.05 -0.70 -1.22 0.00 0.00 177.39 175.50 2k39 s GLU 16 N -3.25 0.26 0.05 3.23 2.56 -1.26 -3.25 118.70 117.05 2k39 s GLU 16 Ca 0.10 0.80 0.05 0.00 0.00 0.00 0.00 54.97 55.92 2k39 s GLU 16 Cb 0.00 -0.03 -0.03 0.00 2.00 0.00 0.00 34.13 36.08 2k39 s GLU 16 CO 0.07 -0.36 -0.13 0.14 -0.56 0.00 0.00 175.26 174.42 2k39 s VAL 17 N 2.52 1.02 0.23 3.70 -7.23 -1.11 -4.89 120.40 114.64 2k39 s VAL 17 Ca 0.03 -1.14 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 2k39 s VAL 17 Cb -0.13 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.76 2k39 s VAL 17 CO -0.12 -0.16 0.86 -0.70 -0.31 0.00 0.00 175.10 174.68 2k39 s GLU 18 N -1.47 4.63 0.44 4.82 2.56 -1.26 0.15 118.70 128.57 2k39 s GLU 18 Ca -0.02 1.27 0.28 0.00 0.00 0.00 0.00 54.97 56.50 2k39 s GLU 18 Cb -0.09 -3.12 1.34 0.00 2.00 0.00 0.00 34.13 34.26 2k39 s GLU 18 CO 0.02 0.47 1.69 -1.35 -0.56 0.00 0.00 175.26 175.53 2k39 h PRO 19 N 3.90 0.18 0.00 4.30 0.11 -2.01 -1.08 132.00 137.39 2k39 h PRO 19 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 19 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k39 h PRO 19 CO 0.66 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 2k39 h SER 20 N 0.18 0.00 -2.77 -2.05 4.64 -2.03 -3.41 113.55 108.12 2k39 h SER 20 Ca 0.72 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.51 2k39 h SER 20 Cb 2.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.33 2k39 h SER 20 CO -0.31 0.00 0.93 -1.81 -0.87 0.00 0.00 176.83 174.77 2k39 s ASP 21 N -5.89 6.65 0.56 4.97 1.01 -0.41 -4.90 116.67 118.66 2k39 s ASP 21 Ca 0.06 2.45 -0.19 0.00 0.71 0.00 0.00 52.55 55.58 2k39 s ASP 21 Cb 0.07 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 2k39 s ASP 21 CO 0.62 -0.83 1.11 0.42 0.21 0.00 0.00 175.17 176.70 2k39 s THR 22 N 2.17 3.26 0.57 -1.27 -4.23 -1.26 -4.42 115.64 110.46 2k39 s THR 22 Ca 0.71 0.75 0.27 0.00 -1.18 0.00 0.00 61.69 62.24 2k39 s THR 22 Cb -0.39 -3.28 0.37 0.00 1.34 0.00 0.00 72.50 70.54 2k39 s THR 22 CO 0.31 -0.21 2.02 0.40 -0.54 0.00 0.00 174.62 176.60 2k39 h ILE 23 N 1.02 0.53 -0.35 2.99 1.08 -0.82 0.12 117.51 122.07 2k39 h ILE 23 Ca -0.49 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2k39 h ILE 23 Cb 1.25 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 2k39 h ILE 23 CO 0.57 0.00 0.14 1.05 -0.69 0.00 0.00 178.15 179.22 2k39 h GLU 24 N 0.00 0.50 0.03 2.37 4.11 -1.84 -3.21 114.58 116.54 2k39 h GLU 24 Ca 0.16 -0.06 -0.33 0.00 0.07 0.00 0.00 59.36 59.20 2k39 h GLU 24 Cb 0.80 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2k39 h GLU 24 CO -0.00 0.42 -1.95 -1.71 0.07 0.00 0.00 179.01 175.84 2k39 n ASN 25 N -4.39 1.11 -0.33 3.06 2.85 0.39 -3.01 115.26 114.95 2k39 n ASN 25 Ca 0.02 0.26 0.26 0.00 -0.11 0.00 0.00 54.58 55.01 2k39 n ASN 25 Cb 0.14 -0.11 0.48 0.00 1.24 0.00 0.00 39.78 41.54 2k39 n ASN 25 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2k39 n VAL 26 N -3.12 -0.42 0.42 3.44 0.31 -1.03 -1.54 118.33 116.40 2k39 n VAL 26 Ca -0.25 2.07 0.13 0.00 -0.01 0.00 0.00 64.34 66.28 2k39 n VAL 26 Cb 1.06 -3.25 0.47 0.00 -0.91 0.00 0.00 33.84 31.22 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 0.00 0.00 0.05 5.55 1.57 -1.53 -3.29 116.57 118.92 2k39 h LYS 27 Ca 0.76 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.28 2k39 h LYS 27 Cb 1.89 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.22 2k39 h LYS 27 CO -0.82 0.00 -1.09 0.00 -0.57 0.00 0.00 179.45 176.97 2k39 h ALA 28 N 2.27 0.18 0.00 3.86 0.00 -1.41 -3.08 119.26 121.08 2k39 h ALA 28 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 2k39 h ALA 28 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k39 h ALA 28 CO 0.00 0.77 -0.49 0.87 0.00 0.00 0.00 179.25 180.41 2k39 h LYS 29 N 0.26 0.00 0.00 0.00 1.57 -1.66 -2.12 116.57 114.62 2k39 h LYS 29 Ca -0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2k39 h LYS 29 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2k39 h LYS 29 CO 0.20 0.49 -0.25 0.82 -0.57 0.00 0.00 179.45 180.14 2k39 h ILE 30 N 0.00 0.46 -0.30 1.86 2.04 -1.66 -3.36 117.51 116.56 2k39 h ILE 30 Ca -0.00 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.26 2k39 h ILE 30 Cb 1.17 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2k39 h ILE 30 CO 0.06 0.25 -0.22 -0.61 0.00 0.00 0.00 178.15 177.63 2k39 h GLN 31 N 0.00 0.67 -0.74 2.37 4.15 -1.29 0.46 115.11 120.74 2k39 h GLN 31 Ca -0.00 -0.33 0.08 0.00 0.77 0.00 0.00 58.65 59.17 2k39 h GLN 31 Cb 1.08 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 2k39 h GLN 31 CO 0.03 0.93 0.49 0.22 -1.93 0.00 0.00 178.83 178.57 2k39 h ASP 32 N 0.42 0.64 0.00 -0.69 3.58 -1.70 0.24 116.42 118.91 2k39 h ASP 32 Ca 0.06 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.27 2k39 h ASP 32 Cb 0.77 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 2k39 h ASP 32 CO 0.06 0.40 -2.08 0.29 -2.88 0.00 0.00 179.24 175.02 2k39 n LYS 33 N -4.49 1.11 -0.00 0.28 4.01 -1.16 -4.70 118.16 113.21 2k39 n LYS 33 Ca 0.12 -0.04 0.02 0.00 -0.51 0.00 0.00 58.31 57.89 2k39 n LYS 33 Cb 0.28 -1.43 -0.02 0.00 -0.51 0.00 0.00 35.03 33.34 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2k39 n GLU 34 N -2.52 3.69 -0.01 1.97 -0.58 0.14 -5.03 120.64 118.31 2k39 n GLU 34 Ca -0.22 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 2k39 n GLU 34 Cb 0.93 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 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 1.54 0.46 3.41 0.62 0.00 0.84 -5.02 105.19 107.04 2k39 n GLY 35 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k39 s ILE 36 N -2.02 3.28 0.64 -0.61 -4.36 -1.24 -5.03 121.20 111.86 2k39 s ILE 36 Ca 0.00 -0.58 -0.10 0.00 -0.26 0.00 0.00 60.65 59.70 2k39 s ILE 36 Cb 0.00 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2k39 s ILE 36 CO 0.00 0.52 1.03 -2.16 0.24 0.00 0.00 174.94 174.57 2k39 s PRO 37 N 0.32 3.26 0.64 0.37 0.04 -1.26 -4.05 135.00 134.31 2k39 s PRO 37 Ca -0.09 0.55 0.28 0.00 0.04 0.00 0.00 61.00 61.78 2k39 s PRO 37 Cb -0.15 -2.09 1.52 0.00 0.04 0.00 0.00 34.50 33.81 2k39 s PRO 37 CO 0.05 -0.74 1.87 -1.35 0.04 0.00 0.00 177.00 176.88 2k39 h PRO 38 N -0.41 0.00 -0.19 0.56 0.11 -1.93 -0.84 132.00 129.31 2k39 h PRO 38 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 2k39 h PRO 38 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k39 h PRO 38 CO 0.63 0.00 0.17 0.22 -0.21 0.00 0.00 178.00 178.81 2k39 h ASP 39 N 0.00 0.00 0.12 -2.05 3.58 -1.98 -3.11 116.42 112.98 2k39 h ASP 39 Ca 0.07 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.21 2k39 h ASP 39 Cb 0.88 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.87 2k39 h ASP 39 CO -0.00 0.00 -2.18 1.67 -2.88 0.00 0.00 179.24 175.85 2k39 n GLN 40 N -4.01 0.67 -2.29 0.28 -0.06 -0.33 -4.83 117.38 106.81 2k39 n GLN 40 Ca 0.02 0.04 -0.36 0.00 -2.00 0.00 0.00 57.00 54.69 2k39 n GLN 40 Cb 0.30 -1.58 -0.04 0.00 -4.06 0.00 0.00 30.24 24.86 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 -2.63 3.00 -0.42 3.69 1.11 -1.18 -4.48 119.66 118.75 2k39 s GLN 41 Ca -0.08 -0.35 -0.05 0.00 0.01 0.00 0.00 55.36 54.88 2k39 s GLN 41 Cb 0.07 -4.86 0.11 0.00 -1.01 0.00 0.00 33.01 27.32 2k39 s GLN 41 CO 0.84 -2.67 0.24 1.03 0.01 0.00 0.00 175.29 174.74 2k39 s ARG 42 N 6.17 2.21 -0.12 2.91 0.52 -1.16 -4.95 118.95 124.54 2k39 s ARG 42 Ca 0.56 -1.75 -0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2k39 s ARG 42 Cb -0.06 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 2k39 s ARG 42 CO 0.04 -1.08 0.14 -0.51 0.02 0.00 0.00 175.30 173.90 2k39 s LEU 43 N 1.24 4.37 0.16 2.53 1.43 -1.26 -0.41 118.68 126.73 2k39 s LEU 43 Ca 0.06 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2k39 s LEU 43 Cb -0.24 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2k39 s LEU 43 CO -0.02 0.41 -0.09 0.27 0.23 0.00 0.00 176.35 177.14 2k39 s ILE 44 N -1.01 1.16 -0.16 -0.59 -4.36 -0.60 -4.03 121.20 111.60 2k39 s ILE 44 Ca 0.15 -2.06 -0.07 0.00 -0.26 0.00 0.00 60.65 58.41 2k39 s ILE 44 Cb -0.12 -1.91 0.07 0.00 1.25 0.00 0.00 42.46 41.74 2k39 s ILE 44 CO 0.04 -0.69 0.35 0.12 0.24 0.00 0.00 174.94 174.99 2k39 s PHE 45 N -3.34 -0.57 -1.19 1.37 5.36 -1.23 -2.33 117.98 116.05 2k39 s PHE 45 Ca 0.18 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 2k39 s PHE 45 Cb 0.03 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 2k39 s PHE 45 CO 0.02 -0.37 0.00 0.00 -1.46 0.00 0.00 175.22 173.40 2k39 n ALA 46 N 4.91 -0.66 -0.89 11.12 0.00 -1.26 -0.74 120.51 132.99 2k39 n ALA 46 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k39 n ALA 46 Cb 0.51 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.73 0.82 3.87 0.00 0.00 -1.26 -5.06 105.19 102.83 2k39 n GLY 47 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.11 3.81 -0.73 1.61 1.02 0.08 -5.02 119.74 120.39 2k39 s LYS 48 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 55.97 56.10 2k39 s LYS 48 Cb 0.00 -2.83 0.19 0.00 -0.52 0.00 0.00 37.83 34.67 2k39 s LYS 48 CO 0.00 0.44 0.67 -1.14 -0.92 0.00 0.00 175.35 174.40 2k39 s GLN 49 N -2.36 3.38 -0.20 1.68 2.00 -1.26 -3.54 119.66 119.36 2k39 s GLN 49 Ca 0.41 -2.22 -0.34 0.00 -2.00 0.00 0.00 55.36 51.21 2k39 s GLN 49 Cb -0.13 -4.37 -0.11 0.00 0.80 0.00 0.00 33.01 29.21 2k39 s GLN 49 CO 0.20 -1.30 2.03 1.28 -0.50 0.00 0.00 175.29 177.00 2k39 n LEU 50 N 4.37 2.95 -4.73 3.68 4.77 -1.26 -4.92 117.00 121.86 2k39 n LEU 50 Ca 0.05 0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 56.30 2k39 n LEU 50 Cb 0.45 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 2k39 n LEU 50 CO 0.40 -0.39 0.61 -0.70 -1.33 0.00 0.00 177.39 175.97 2k39 s GLU 51 N 5.10 4.64 -0.00 3.23 2.12 -1.26 -4.89 118.70 127.64 2k39 s GLU 51 Ca 1.00 1.34 -0.31 0.00 0.36 0.00 0.00 54.97 57.35 2k39 s GLU 51 Cb -0.71 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.22 2k39 s GLU 51 CO 0.49 0.24 1.96 -0.40 -0.54 0.00 0.00 175.26 177.01 2k39 n ASP 52 N 2.77 3.96 0.00 -1.70 5.75 -1.26 -1.97 116.55 124.10 2k39 n ASP 52 Ca 0.01 0.90 0.00 0.00 -0.01 0.00 0.00 54.79 55.69 2k39 n ASP 52 Cb 0.49 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 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 4.55 0.23 4.00 6.12 0.00 -1.26 -4.80 105.19 114.03 2k39 n GLY 53 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.98 2.01 0.51 1.61 1.81 -0.83 -4.85 118.95 118.23 2k39 s ARG 54 Ca 0.00 -1.23 0.04 0.00 -1.72 0.00 0.00 55.73 52.82 2k39 s ARG 54 Cb 0.00 -2.46 -0.00 0.00 -0.45 0.00 0.00 34.95 32.04 2k39 s ARG 54 CO 0.00 -1.14 0.18 0.95 -0.68 0.00 0.00 175.30 174.61 2k39 s THR 55 N -2.92 1.54 0.39 0.02 -4.23 -1.26 -0.24 115.64 108.94 2k39 s THR 55 Ca 0.63 -1.76 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2k39 s THR 55 Cb -0.06 -2.30 0.16 0.00 1.34 0.00 0.00 72.50 71.64 2k39 s THR 55 CO 0.42 0.00 1.92 -0.07 -0.54 0.00 0.00 174.62 176.35 2k39 h LEU 56 N 1.14 0.00 -1.02 4.79 3.38 -1.81 -2.86 115.31 118.94 2k39 h LEU 56 Ca -0.41 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2k39 h LEU 56 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2k39 h LEU 56 CO 0.67 0.26 0.03 -1.28 0.09 0.00 0.00 178.44 178.21 2k39 h SER 57 N 0.00 0.69 -0.14 -0.43 0.87 -1.79 0.25 113.55 113.00 2k39 h SER 57 Ca -0.00 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 2k39 h SER 57 Cb 0.50 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2k39 h SER 57 CO 0.03 0.75 0.16 0.44 -0.53 0.00 0.00 176.83 177.68 2k39 h ASP 58 N 0.69 0.00 -0.12 6.23 3.32 -1.89 -2.39 116.42 122.26 2k39 h ASP 58 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k39 h ASP 58 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 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 -3.79 0.15 -2.64 4.55 4.01 -0.67 -5.00 117.16 113.77 2k39 n TYR 59 Ca 0.01 -0.19 -0.20 0.00 -0.16 0.00 0.00 57.90 57.36 2k39 n TYR 59 Cb 0.27 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 0.46 -5.35 -4.64 7.72 0.23 -0.18 -4.97 115.26 108.52 2k39 n ASN 60 Ca 0.07 -0.07 -0.43 0.00 -0.53 0.00 0.00 54.58 53.63 2k39 n ASN 60 Cb 0.29 -4.43 -0.03 0.00 -2.08 0.00 0.00 39.78 33.54 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k39 s ILE 61 N -2.97 4.65 0.49 1.53 1.01 0.70 -4.94 121.20 121.67 2k39 s ILE 61 Ca 0.11 1.77 0.08 0.00 0.00 0.00 0.00 60.65 62.61 2k39 s ILE 61 Cb -0.05 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.16 2k39 s ILE 61 CO 0.13 -0.29 0.68 -1.10 0.00 0.00 0.00 174.94 174.36 2k39 s GLN 62 N 3.30 2.58 0.08 2.79 -1.52 -1.26 -4.44 119.66 121.19 2k39 s GLN 62 Ca 0.42 -1.39 -0.33 0.00 -1.95 0.00 0.00 55.36 52.10 2k39 s GLN 62 Cb -0.14 -2.70 -0.18 0.00 -0.22 0.00 0.00 33.01 29.77 2k39 s GLN 62 CO 0.10 -0.55 0.79 0.36 -0.25 0.00 0.00 175.29 175.74 2k39 n LYS 63 N -2.05 0.00 -3.32 2.91 2.85 -1.26 -3.10 118.16 114.19 2k39 n LYS 63 Ca 0.11 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.20 2k39 n LYS 63 Cb 0.60 -1.22 0.07 0.00 -0.65 0.00 0.00 35.03 33.83 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 1.22 -6.20 -3.90 -1.58 2.13 0.31 -5.03 120.64 107.60 2k39 n GLU 64 Ca 0.18 0.73 -0.36 0.00 0.66 0.00 0.00 57.16 58.38 2k39 n GLU 64 Cb 0.15 -5.43 -0.11 0.00 0.27 0.00 0.00 31.44 26.32 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 -3.83 5.46 0.03 4.31 0.01 -1.18 -4.94 113.70 113.56 2k39 s SER 65 Ca 0.20 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 57.18 2k39 s SER 65 Cb -0.09 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 2k39 s SER 65 CO 0.63 0.08 0.73 -0.89 0.41 0.00 0.00 173.24 174.20 2k39 s THR 66 N 0.95 4.78 0.16 1.44 2.01 -1.26 -3.19 115.64 120.53 2k39 s THR 66 Ca 0.04 1.54 0.06 0.00 0.31 0.00 0.00 61.69 63.64 2k39 s THR 66 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2k39 s THR 66 CO 0.03 0.37 0.07 -0.76 -0.69 0.00 0.00 174.62 173.64 2k39 s LEU 67 N -0.05 3.60 -0.15 4.42 1.43 -0.55 -4.96 118.68 122.42 2k39 s LEU 67 Ca 0.37 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2k39 s LEU 67 Cb -0.20 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2k39 s LEU 67 CO 0.21 0.09 0.09 -2.28 0.23 0.00 0.00 176.35 174.69 2k39 s HIS 68 N -1.70 3.38 -0.18 0.29 5.65 -0.98 -0.90 115.29 120.84 2k39 s HIS 68 Ca 0.29 0.29 -0.12 0.00 0.25 0.00 0.00 55.06 55.76 2k39 s HIS 68 Cb -0.10 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.25 2k39 s HIS 68 CO 0.21 0.42 0.24 -0.51 -0.65 0.00 0.00 174.74 174.45 2k39 s LEU 69 N -0.28 4.22 -0.31 8.88 1.43 0.11 -1.56 118.68 131.17 2k39 s LEU 69 Ca 0.09 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2k39 s LEU 69 Cb -0.12 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2k39 s LEU 69 CO 0.01 0.11 0.21 -0.69 0.23 0.00 0.00 176.35 176.23 2k39 s VAL 70 N 0.51 5.26 0.39 -1.59 1.01 0.45 -4.20 120.40 122.24 2k39 s VAL 70 Ca 0.13 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2k39 s VAL 70 Cb -0.12 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2k39 s VAL 70 CO 0.02 0.13 0.01 -0.22 0.00 0.00 0.00 175.10 175.04 2k39 s LEU 71 N 1.74 2.89 -0.21 3.92 2.96 -1.26 -2.97 118.68 125.74 2k39 s LEU 71 Ca 0.06 -1.28 0.01 0.00 -0.22 0.00 0.00 54.13 52.70 2k39 s LEU 71 Cb -0.17 -1.01 0.05 0.00 0.50 0.00 0.00 46.19 45.56 2k39 s LEU 71 CO 0.11 -0.41 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.03 2k39 s ARG 72 N -3.72 2.00 0.00 1.98 3.52 -1.26 -5.03 118.95 116.44 2k39 s ARG 72 Ca 0.35 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2k39 s ARG 72 Cb 0.07 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2k39 s ARG 72 CO 0.18 -0.47 0.00 -0.11 -0.81 0.00 0.00 175.30 174.09 2k39 n LEU 73 N 4.65 0.00 0.24 -0.88 -0.00 -1.26 -5.07 117.00 114.68 2k39 n LEU 73 Ca -0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.77 2k39 n LEU 73 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.83 2k39 n LEU 73 CO 0.20 0.00 0.43 0.03 -0.00 0.00 0.00 177.39 178.05 2k39 h ARG 74 N 0.00 -0.60 0.00 1.96 3.08 -2.05 -3.48 114.38 113.29 2k39 h ARG 74 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2k39 h ARG 74 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2k39 h ARG 74 CO 0.00 -0.40 0.00 0.41 -1.07 0.00 0.00 179.97 178.91 2k39 n GLY 75 N -0.81 0.66 0.00 0.04 0.00 -1.26 -5.22 105.19 98.60 2k39 n GLY 75 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93