#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 3.70 -0.03 2.12 0.74 -1.26 -1.63 119.66 123.30 2k39 s GLN 2 Ca 0.00 0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.87 2k39 s GLN 2 Cb 0.00 -2.34 0.01 0.00 1.10 0.00 0.00 33.01 31.78 2k39 s GLN 2 CO 0.00 -0.15 -0.08 0.96 -0.55 0.00 0.00 175.29 175.47 2k39 s ILE 3 N -2.58 0.69 0.07 -2.34 -4.36 -0.72 -0.56 121.20 111.40 2k39 s ILE 3 Ca 0.51 -0.30 -0.10 0.00 -0.26 0.00 0.00 60.65 60.50 2k39 s ILE 3 Cb -0.10 -0.63 -0.06 0.00 1.25 0.00 0.00 42.46 42.91 2k39 s ILE 3 CO 0.38 0.23 0.40 -0.36 0.24 0.00 0.00 174.94 175.82 2k39 s PHE 4 N 0.32 3.60 -0.05 1.37 0.40 -0.50 -1.81 117.98 121.30 2k39 s PHE 4 Ca -0.05 0.81 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 2k39 s PHE 4 Cb -0.09 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.27 2k39 s PHE 4 CO 0.00 0.53 -0.14 0.08 0.70 0.00 0.00 175.22 176.40 2k39 s VAL 5 N -1.36 1.19 0.03 -0.44 1.01 -0.75 -0.66 120.40 119.42 2k39 s VAL 5 Ca 0.32 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2k39 s VAL 5 Cb -0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2k39 s VAL 5 CO 0.17 0.36 -0.10 -0.75 0.00 0.00 0.00 175.10 174.78 2k39 s LYS 6 N 0.33 0.70 0.00 2.72 2.20 -1.17 -0.98 119.74 123.54 2k39 s LYS 6 Ca -0.08 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 2k39 s LYS 6 Cb -0.13 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 2k39 s LYS 6 CO 0.03 0.15 0.00 0.25 -0.36 0.00 0.00 175.35 175.42 2k39 n THR 7 N 1.98 0.00 0.00 3.43 -2.24 -1.26 -1.18 114.28 115.01 2k39 n THR 7 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2k39 n THR 7 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2k39 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k39 n LEU 8 N 0.00 0.00 -4.60 3.22 -0.00 -1.26 -4.94 117.00 109.42 2k39 n LEU 8 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2k39 n LEU 8 Cb 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 2k39 n LEU 8 CO 0.00 -0.12 0.74 -0.89 -0.00 0.00 0.00 177.39 177.11 2k39 s THR 9 N -1.24 4.60 0.00 1.47 2.01 -1.26 -4.73 115.64 116.48 2k39 s THR 9 Ca 0.00 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.12 2k39 s THR 9 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2k39 s THR 9 CO 0.00 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 173.99 2k39 n GLY 10 N 4.44 2.62 0.13 4.40 0.00 -1.26 -4.93 105.19 110.60 2k39 n GLY 10 Ca 0.06 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 2k39 n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k39 h LYS 11 N 0.00 -0.25 -3.39 1.61 3.64 -1.96 -3.43 116.57 112.79 2k39 h LYS 11 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2k39 h LYS 11 Cb 0.00 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 2k39 h LYS 11 CO 0.00 -0.17 0.07 0.95 -2.27 0.00 0.00 179.45 178.04 2k39 s THR 12 N -3.75 0.00 0.03 1.00 -4.23 -1.26 -4.78 115.64 102.64 2k39 s THR 12 Ca -0.05 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 2k39 s THR 12 Cb 0.01 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2k39 s THR 12 CO 0.16 0.00 -0.14 0.27 -0.54 0.00 0.00 174.62 174.37 2k39 s ILE 13 N -3.25 1.09 -0.18 2.99 -4.36 -0.15 -4.96 121.20 112.37 2k39 s ILE 13 Ca 0.19 -0.89 -0.07 0.00 -0.26 0.00 0.00 60.65 59.62 2k39 s ILE 13 Cb -0.03 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2k39 s ILE 13 CO 0.12 0.07 0.05 0.42 0.24 0.00 0.00 174.94 175.84 2k39 s THR 14 N -0.72 4.64 0.06 8.37 -4.23 -1.26 -1.82 115.64 120.68 2k39 s THR 14 Ca 0.02 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 2k39 s THR 14 Cb -0.07 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 2k39 s THR 14 CO 0.01 0.45 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.56 2k39 s LEU 15 N 0.47 2.20 -0.26 4.79 1.43 -0.75 -5.03 118.68 121.54 2k39 s LEU 15 Ca 0.02 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 2k39 s LEU 15 Cb -0.13 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2k39 s LEU 15 CO 0.01 0.17 0.35 -0.70 0.23 0.00 0.00 176.35 176.41 2k39 s GLU 16 N -1.37 4.04 0.00 1.70 2.12 -1.26 -1.75 118.70 122.17 2k39 s GLU 16 Ca 0.09 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.44 2k39 s GLU 16 Cb -0.09 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.67 2k39 s GLU 16 CO 0.03 -0.21 0.00 1.33 -0.54 0.00 0.00 175.26 175.86 2k39 n VAL 17 N 4.93 0.00 -3.90 3.70 0.24 -0.64 -4.98 118.33 117.67 2k39 n VAL 17 Ca -0.09 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 2k39 n VAL 17 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.52 0.34 0.58 7.34 -6.30 -1.26 -4.83 118.70 115.08 2k39 s GLU 18 Ca 0.00 -0.36 0.35 0.00 -2.50 0.00 0.00 54.97 52.46 2k39 s GLU 18 Cb 0.00 0.14 1.72 0.00 0.00 0.00 0.00 34.13 35.98 2k39 s GLU 18 CO 0.00 -0.07 2.13 -1.00 0.02 0.00 0.00 175.26 176.34 2k39 h PRO 19 N 4.79 0.00 -0.54 4.30 0.13 -1.94 -2.17 132.00 136.57 2k39 h PRO 19 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k39 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k39 h PRO 19 CO 0.42 0.04 0.00 0.43 -0.23 0.00 0.00 178.00 178.66 2k39 n SER 20 N -3.26 1.96 -4.67 1.44 7.64 -1.26 -1.81 113.62 113.66 2k39 n SER 20 Ca -0.01 -2.15 -0.43 0.00 1.01 0.00 0.00 58.87 57.29 2k39 n SER 20 Cb 0.22 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.65 6.97 0.71 6.43 1.01 -0.82 -4.95 116.67 125.37 2k39 s ASP 21 Ca 0.18 1.75 -0.14 0.00 0.71 0.00 0.00 52.55 55.04 2k39 s ASP 21 Cb 0.11 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.53 2k39 s ASP 21 CO 0.09 -0.71 1.15 0.42 0.21 0.00 0.00 175.17 176.32 2k39 s THR 22 N 3.10 2.84 0.33 -1.27 -4.23 -1.26 -3.05 115.64 112.10 2k39 s THR 22 Ca 0.55 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.62 2k39 s THR 22 Cb -0.23 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 70.86 2k39 s THR 22 CO 0.17 -0.25 1.86 0.40 -0.54 0.00 0.00 174.62 176.26 2k39 h ILE 23 N -0.27 1.02 -0.95 2.99 2.04 -1.36 -2.33 117.51 118.65 2k39 h ILE 23 Ca -0.47 -1.18 0.25 0.00 1.00 0.00 0.00 64.86 64.47 2k39 h ILE 23 Cb 1.26 1.67 -0.13 0.00 -0.74 0.00 0.00 36.82 38.89 2k39 h ILE 23 CO 0.52 0.31 0.48 -0.08 0.00 0.00 0.00 178.15 179.38 2k39 h GLU 24 N 0.00 0.41 -0.04 2.37 4.57 -1.68 0.14 114.58 120.34 2k39 h GLU 24 Ca -0.00 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 57.91 2k39 h GLU 24 Cb 0.65 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2k39 h GLU 24 CO 0.04 0.27 -0.93 -0.97 -1.18 0.00 0.00 179.01 176.24 2k39 h ASN 25 N 0.42 0.79 0.22 1.04 -0.73 -1.74 -3.23 115.58 112.35 2k39 h ASN 25 Ca 0.63 -0.60 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 2k39 h ASN 25 Cb 1.26 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.60 2k39 h ASN 25 CO -0.54 1.39 -0.30 0.58 -0.37 0.00 0.00 177.43 178.19 2k39 h VAL 26 N 0.38 1.24 -0.95 2.57 2.07 -1.21 -2.97 116.25 117.38 2k39 h VAL 26 Ca -0.09 -1.16 0.19 0.00 0.82 0.00 0.00 66.70 66.46 2k39 h VAL 26 Cb 1.57 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.78 2k39 h VAL 26 CO 0.18 0.34 0.61 0.11 0.02 0.00 0.00 177.57 178.83 2k39 h LYS 27 N 0.12 0.59 0.04 1.57 1.57 -0.79 -1.36 116.57 118.31 2k39 h LYS 27 Ca 0.02 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2k39 h LYS 27 Cb 0.60 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2k39 h LYS 27 CO 0.04 0.39 -1.05 0.00 -0.57 0.00 0.00 179.45 178.26 2k39 h ALA 28 N 1.62 0.31 0.05 3.86 0.00 -1.69 -2.07 119.26 121.34 2k39 h ALA 28 Ca 0.52 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2k39 h ALA 28 Cb 1.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2k39 h ALA 28 CO -0.27 1.10 -0.19 0.87 0.00 0.00 0.00 179.25 180.76 2k39 h LYS 29 N 0.04 -0.33 -0.97 0.00 1.57 -1.35 -1.13 116.57 114.41 2k39 h LYS 29 Ca -0.05 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2k39 h LYS 29 Cb 1.78 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 34.11 2k39 h LYS 29 CO 0.15 -0.22 0.64 0.82 -0.57 0.00 0.00 179.45 180.27 2k39 h ILE 30 N -0.34 1.20 -0.44 1.86 1.08 -1.12 -0.58 117.51 119.17 2k39 h ILE 30 Ca 0.04 -0.43 0.09 0.00 -0.39 0.00 0.00 64.86 64.17 2k39 h ILE 30 Cb 0.39 -0.17 -0.08 0.00 -3.07 0.00 0.00 36.82 33.89 2k39 h ILE 30 CO -0.14 0.23 -0.05 -0.61 -0.69 0.00 0.00 178.15 176.89 2k39 h GLN 31 N 1.26 0.05 -0.49 2.37 4.15 -1.36 -1.66 115.11 119.43 2k39 h GLN 31 Ca 0.37 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 2k39 h GLN 31 Cb -0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2k39 h GLN 31 CO -0.10 0.03 0.32 0.22 -1.93 0.00 0.00 178.83 177.38 2k39 h ASP 32 N 0.05 0.57 0.06 -0.69 3.58 -0.58 -1.38 116.42 118.03 2k39 h ASP 32 Ca 0.22 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 2k39 h ASP 32 Cb 0.33 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2k39 h ASP 32 CO -0.41 0.42 -2.09 0.29 -2.88 0.00 0.00 179.24 174.56 2k39 n LYS 33 N -4.46 0.67 0.00 0.28 4.01 -0.28 -4.78 118.16 113.60 2k39 n LYS 33 Ca 0.04 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 2k39 n LYS 33 Cb 0.05 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 2k39 n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2k39 n GLU 34 N -2.48 1.23 0.00 1.97 4.07 -0.64 -5.07 120.64 119.72 2k39 n GLU 34 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 2k39 n GLU 34 Cb 0.80 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 32.08 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 0.00 2.35 3.69 8.31 0.00 -0.52 -4.96 105.19 114.05 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 -2.41 4.11 0.37 -0.61 1.01 -1.26 -4.83 121.20 117.58 2k39 s ILE 36 Ca 0.00 1.47 -0.27 0.00 0.00 0.00 0.00 60.65 61.84 2k39 s ILE 36 Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 2k39 s ILE 36 CO 0.00 0.02 1.35 -2.16 0.00 0.00 0.00 174.94 174.15 2k39 s PRO 37 N 1.98 4.14 0.33 2.79 0.04 -1.26 -3.26 135.00 139.76 2k39 s PRO 37 Ca 0.58 2.28 0.12 0.00 0.04 0.00 0.00 61.00 64.02 2k39 s PRO 37 Cb -0.27 -2.92 1.03 0.00 0.04 0.00 0.00 34.50 32.38 2k39 s PRO 37 CO 0.24 -0.40 1.64 -1.35 0.04 0.00 0.00 177.00 177.18 2k39 h PRO 38 N 3.00 0.22 -0.18 0.56 0.11 -1.94 -2.36 132.00 131.41 2k39 h PRO 38 Ca -0.50 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2k39 h PRO 38 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k39 h PRO 38 CO 0.64 0.15 0.19 0.22 -0.21 0.00 0.00 178.00 178.99 2k39 h ASP 39 N 0.23 0.00 0.21 -2.05 3.58 -1.98 -3.11 116.42 113.30 2k39 h ASP 39 Ca 0.71 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.16 2k39 h ASP 39 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 2k39 h ASP 39 CO -0.66 0.00 -1.32 1.67 -2.88 0.00 0.00 179.24 176.05 2k39 n GLN 40 N -3.88 0.34 -3.27 0.28 7.27 -0.89 -4.94 117.38 112.29 2k39 n GLN 40 Ca 0.02 -0.06 -0.38 0.00 0.07 0.00 0.00 57.00 56.64 2k39 n GLN 40 Cb 0.32 -1.56 -0.06 0.00 2.41 0.00 0.00 30.24 31.35 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 -3.25 4.30 -0.29 3.69 -0.21 -1.18 0.26 119.66 122.99 2k39 s GLN 41 Ca 0.01 0.57 -0.02 0.00 0.02 0.00 0.00 55.36 55.94 2k39 s GLN 41 Cb 0.14 -3.39 0.04 0.00 1.00 0.00 0.00 33.01 30.81 2k39 s GLN 41 CO 0.85 0.27 -0.01 0.50 -2.12 0.00 0.00 175.29 174.78 2k39 s ARG 42 N 0.21 2.61 -0.42 2.91 3.52 0.15 -4.81 118.95 123.11 2k39 s ARG 42 Ca 0.28 -1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 54.57 2k39 s ARG 42 Cb -0.16 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 2k39 s ARG 42 CO 0.13 -0.54 0.42 -0.51 -0.81 0.00 0.00 175.30 173.99 2k39 s LEU 43 N 1.30 4.95 -0.05 -0.88 2.01 -1.26 -3.00 118.68 121.74 2k39 s LEU 43 Ca -0.03 -0.75 0.06 0.00 0.01 0.00 0.00 54.13 53.42 2k39 s LEU 43 Cb -0.19 -2.34 -0.01 0.00 0.01 0.00 0.00 46.19 43.66 2k39 s LEU 43 CO -0.02 -0.57 -0.24 -0.63 1.01 0.00 0.00 176.35 175.91 2k39 s ILE 44 N 2.05 2.21 -0.24 -0.59 1.01 -1.26 -1.32 121.20 123.06 2k39 s ILE 44 Ca 0.11 -1.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2k39 s ILE 44 Cb -0.18 -1.81 0.13 0.00 0.01 0.00 0.00 42.46 40.61 2k39 s ILE 44 CO 0.13 0.57 1.04 0.12 0.00 0.00 0.00 174.94 176.80 2k39 s PHE 45 N -0.31 -0.42 -1.39 3.97 5.36 -1.00 -4.69 117.98 119.50 2k39 s PHE 45 Ca 0.01 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 2k39 s PHE 45 Cb -0.13 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 2k39 s PHE 45 CO 0.02 -0.26 0.00 0.00 -1.46 0.00 0.00 175.22 173.53 2k39 n ALA 46 N 1.72 -0.39 0.00 11.12 0.00 -1.26 -3.35 120.51 128.35 2k39 n ALA 46 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k39 n ALA 46 Cb 0.56 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.04 0.08 3.17 0.00 0.00 -1.26 -5.05 105.19 101.10 2k39 n GLY 47 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.99 0.97 -0.37 1.61 -2.85 -1.21 -5.11 119.74 111.80 2k39 s LYS 48 Ca 0.00 -0.86 -0.27 0.00 -1.00 0.00 0.00 55.97 53.84 2k39 s LYS 48 Cb 0.00 -1.01 -0.06 0.00 -2.06 0.00 0.00 37.83 34.71 2k39 s LYS 48 CO 0.00 0.24 2.28 -1.14 0.10 0.00 0.00 175.35 176.83 2k39 s GLN 49 N -1.35 2.63 0.50 1.78 -0.44 -1.26 -2.38 119.66 119.13 2k39 s GLN 49 Ca 0.02 1.65 -0.24 0.00 -2.50 0.00 0.00 55.36 54.29 2k39 s GLN 49 Cb -0.09 -4.47 -0.07 0.00 -1.64 0.00 0.00 33.01 26.75 2k39 s GLN 49 CO 0.02 -2.68 1.41 -0.51 0.50 0.00 0.00 175.29 174.03 2k39 s LEU 50 N 10.13 3.99 0.13 3.68 1.43 -0.43 -4.99 118.68 132.62 2k39 s LEU 50 Ca 0.97 2.88 -0.30 0.00 -1.03 0.00 0.00 54.13 56.65 2k39 s LEU 50 Cb -0.24 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 2k39 s LEU 50 CO 0.30 -1.39 1.05 -0.70 0.23 0.00 0.00 176.35 175.84 2k39 s GLU 51 N -2.67 4.62 0.27 1.70 2.12 -1.26 -4.86 118.70 118.61 2k39 s GLU 51 Ca 0.66 1.60 0.07 0.00 0.36 0.00 0.00 54.97 57.67 2k39 s GLU 51 Cb -0.43 -3.33 0.36 0.00 0.26 0.00 0.00 34.13 30.99 2k39 s GLU 51 CO 0.53 0.09 1.63 -0.44 -0.54 0.00 0.00 175.26 176.53 2k39 h ASP 52 N 5.53 0.17 -0.65 -1.70 5.19 -1.98 -3.21 116.42 119.77 2k39 h ASP 52 Ca -0.43 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2k39 h ASP 52 Cb 1.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2k39 h ASP 52 CO 0.73 0.69 0.00 0.61 -3.12 0.00 0.00 179.24 178.15 2k39 n GLY 53 N 0.10 2.47 3.92 2.75 0.00 -1.26 -1.89 105.19 111.28 2k39 n GLY 53 Ca -0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.04 3.54 0.31 1.61 3.00 -1.22 -4.88 118.95 120.27 2k39 s ARG 54 Ca 0.45 -0.02 0.07 0.00 0.00 0.00 0.00 55.73 56.22 2k39 s ARG 54 Cb 0.23 -2.51 -0.02 0.00 0.00 0.00 0.00 34.95 32.65 2k39 s ARG 54 CO 0.31 -0.02 0.38 0.95 0.00 0.00 0.00 175.30 176.92 2k39 s THR 55 N -2.50 4.14 0.11 0.02 -4.23 -1.26 -2.86 115.64 109.05 2k39 s THR 55 Ca 0.44 -1.13 -0.34 0.00 -1.18 0.00 0.00 61.69 59.48 2k39 s THR 55 Cb -0.10 -3.42 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 2k39 s THR 55 CO 0.39 -0.20 1.57 -0.07 -0.54 0.00 0.00 174.62 175.77 2k39 h LEU 56 N 1.08 -1.45 -0.87 4.79 4.07 -1.44 -2.74 115.31 118.74 2k39 h LEU 56 Ca -0.47 0.15 0.23 0.00 0.08 0.00 0.00 57.88 57.87 2k39 h LEU 56 Cb 1.25 0.53 -0.15 0.00 1.08 0.00 0.00 40.66 43.37 2k39 h LEU 56 CO 0.56 -0.55 0.10 0.77 -1.08 0.00 0.00 178.44 178.24 2k39 h SER 57 N -0.75 -0.26 -0.92 -0.43 4.64 -1.48 0.26 113.55 114.61 2k39 h SER 57 Ca -0.00 0.22 0.22 0.00 -0.47 0.00 0.00 61.79 61.76 2k39 h SER 57 Cb 0.75 0.36 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 2k39 h SER 57 CO -0.25 -0.23 0.62 0.44 -0.87 0.00 0.00 176.83 176.54 2k39 h ASP 58 N 0.11 0.33 -0.02 4.97 3.32 -1.77 -2.59 116.42 120.77 2k39 h ASP 58 Ca 0.52 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.61 2k39 h ASP 58 Cb 1.03 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2k39 h ASP 58 CO -0.74 0.12 0.00 -1.22 -1.72 0.00 0.00 179.24 175.68 2k39 n TYR 59 N -4.47 0.00 -1.23 4.55 4.01 -0.65 -4.96 117.16 114.40 2k39 n TYR 59 Ca 0.20 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2k39 n TYR 59 Cb 0.78 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 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 1.06 -2.11 -4.52 7.72 4.13 -0.92 -4.99 115.26 115.64 2k39 n ASN 60 Ca 0.11 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 2k39 n ASN 60 Cb 0.47 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 38.22 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -2.00 4.17 0.81 2.41 1.01 0.82 -4.93 121.20 123.49 2k39 s ILE 61 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 2k39 s ILE 61 Cb 0.00 -4.69 0.08 0.00 0.01 0.00 0.00 42.46 37.86 2k39 s ILE 61 CO 0.00 -1.41 1.09 -1.10 0.00 0.00 0.00 174.94 173.52 2k39 s GLN 62 N 4.51 1.94 0.19 2.79 -0.21 -1.26 -3.93 119.66 123.69 2k39 s GLN 62 Ca 0.31 0.97 -0.30 0.00 0.02 0.00 0.00 55.36 56.36 2k39 s GLN 62 Cb -0.12 -1.88 -0.17 0.00 1.00 0.00 0.00 33.01 31.84 2k39 s GLN 62 CO 0.16 -1.81 0.71 0.36 -2.12 0.00 0.00 175.29 172.60 2k39 n LYS 63 N -3.61 0.30 -1.07 2.91 2.85 -1.26 -3.40 118.16 114.88 2k39 n LYS 63 Ca 0.08 0.10 -0.02 0.00 -1.05 0.00 0.00 58.31 57.42 2k39 n LYS 63 Cb 0.54 -1.26 -0.01 0.00 -0.65 0.00 0.00 35.03 33.65 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N 1.08 -0.23 -3.65 -1.58 -0.58 0.27 -4.93 120.64 111.02 2k39 n GLU 64 Ca 0.17 0.50 -0.26 0.00 -0.42 0.00 0.00 57.16 57.14 2k39 n GLU 64 Cb 0.24 -4.04 -0.03 0.00 -0.57 0.00 0.00 31.44 27.04 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k39 s SER 65 N -2.77 6.37 -0.05 1.62 0.01 -1.22 -4.88 113.70 112.79 2k39 s SER 65 Ca 0.00 0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.56 2k39 s SER 65 Cb 0.00 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 2k39 s SER 65 CO 0.00 -0.09 0.27 -0.89 0.41 0.00 0.00 173.24 172.94 2k39 s THR 66 N -1.96 5.28 0.30 1.44 2.01 -1.26 -1.42 115.64 120.04 2k39 s THR 66 Ca 0.39 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.91 2k39 s THR 66 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2k39 s THR 66 CO 0.30 0.56 0.18 -0.76 -0.69 0.00 0.00 174.62 174.20 2k39 s LEU 67 N -1.18 3.51 0.01 4.42 2.01 0.17 -4.93 118.68 122.68 2k39 s LEU 67 Ca 0.21 -0.51 0.09 0.00 0.01 0.00 0.00 54.13 53.92 2k39 s LEU 67 Cb -0.14 -2.05 -0.02 0.00 0.01 0.00 0.00 46.19 43.98 2k39 s LEU 67 CO 0.10 -0.19 -0.26 -1.00 1.01 0.00 0.00 176.35 176.01 2k39 s HIS 68 N -2.29 2.33 0.10 0.29 3.76 -1.26 -3.05 115.29 115.17 2k39 s HIS 68 Ca 0.36 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.93 2k39 s HIS 68 Cb -0.06 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2k39 s HIS 68 CO 0.24 0.03 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.79 2k39 s LEU 69 N -0.87 2.61 -0.04 0.89 2.96 -0.32 -4.57 118.68 119.33 2k39 s LEU 69 Ca 0.11 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2k39 s LEU 69 Cb -0.10 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2k39 s LEU 69 CO 0.00 0.20 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2k39 s VAL 70 N -1.07 0.59 0.36 1.68 1.01 -1.16 -4.64 120.40 117.15 2k39 s VAL 70 Ca 0.16 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2k39 s VAL 70 Cb -0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 2k39 s VAL 70 CO 0.08 0.23 1.04 -0.76 0.00 0.00 0.00 175.10 175.70 2k39 s LEU 71 N 0.82 4.28 -0.04 3.92 1.02 -1.26 -0.67 118.68 126.74 2k39 s LEU 71 Ca -0.11 2.07 0.03 0.00 0.02 0.00 0.00 54.13 56.13 2k39 s LEU 71 Cb -0.14 -4.01 -0.25 0.00 0.02 0.00 0.00 46.19 41.81 2k39 s LEU 71 CO 0.01 -0.33 0.67 -0.09 0.02 0.00 0.00 176.35 176.62 2k39 h ARG 72 N 2.96 0.14 -4.41 1.70 2.43 -0.51 -3.44 114.38 113.24 2k39 h ARG 72 Ca -0.48 -0.23 -0.20 0.00 -0.81 0.00 0.00 59.98 58.26 2k39 h ARG 72 Cb 1.21 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.70 2k39 h ARG 72 CO 0.64 0.87 -0.57 -0.51 -1.51 0.00 0.00 179.97 178.90 2k39 s LEU 73 N -6.61 1.26 0.09 3.80 1.43 -1.26 -5.05 118.68 112.34 2k39 s LEU 73 Ca -0.10 -1.26 0.23 0.00 -1.03 0.00 0.00 54.13 51.97 2k39 s LEU 73 Cb 0.07 0.53 0.17 0.00 0.03 0.00 0.00 46.19 46.99 2k39 s LEU 73 CO 0.82 -0.83 1.14 0.54 0.23 0.00 0.00 176.35 178.25 2k39 n ARG 74 N -0.22 0.31 -2.01 1.70 1.74 -1.26 -5.04 116.66 111.88 2k39 n ARG 74 Ca -0.01 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2k39 n ARG 74 Cb 0.65 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k39 n GLY 75 N 1.34 -0.74 0.00 -0.13 0.00 -1.26 -5.24 105.19 99.16 2k39 n GLY 75 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93