#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 4.67 0.24 2.12 0.74 -1.26 -1.87 119.66 124.30 2k39 s GLN 2 Ca 0.00 1.47 0.01 0.00 0.05 0.00 0.00 55.36 56.89 2k39 s GLN 2 Cb 0.00 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 2k39 s GLN 2 CO 0.00 0.16 0.14 0.96 -0.55 0.00 0.00 175.29 176.00 2k39 s ILE 3 N 0.15 0.17 -0.18 -2.34 -4.36 -1.24 0.14 121.20 113.53 2k39 s ILE 3 Ca 0.48 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2k39 s ILE 3 Cb -0.23 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 40.95 2k39 s ILE 3 CO 0.30 0.00 -0.13 -0.36 0.24 0.00 0.00 174.94 174.99 2k39 s PHE 4 N -3.90 2.85 -0.55 1.37 0.08 -0.92 -2.79 117.98 114.11 2k39 s PHE 4 Ca 0.38 -1.16 -0.19 0.00 0.12 0.00 0.00 56.93 56.08 2k39 s PHE 4 Cb 0.06 -1.97 0.08 0.00 -0.57 0.00 0.00 43.02 40.62 2k39 s PHE 4 CO 0.15 -0.58 0.69 0.08 -0.10 0.00 0.00 175.22 175.46 2k39 s VAL 5 N 1.17 4.80 -0.16 -0.44 1.01 -0.39 -2.68 120.40 123.70 2k39 s VAL 5 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2k39 s VAL 5 Cb -0.14 -4.41 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 2k39 s VAL 5 CO -0.05 -0.99 1.00 -0.75 0.00 0.00 0.00 175.10 174.32 2k39 s LYS 6 N 2.80 4.34 0.19 2.72 2.47 -1.14 -1.38 119.74 129.73 2k39 s LYS 6 Ca 0.15 1.34 0.05 0.00 -1.56 0.00 0.00 55.97 55.94 2k39 s LYS 6 Cb -0.21 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 2k39 s LYS 6 CO 0.10 -0.45 0.23 0.95 0.16 0.00 0.00 175.35 176.34 2k39 s THR 7 N 2.52 4.87 0.58 3.43 -4.23 -0.07 -3.22 115.64 119.52 2k39 s THR 7 Ca 0.45 -1.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.25 2k39 s THR 7 Cb -0.17 -3.55 0.38 0.00 1.34 0.00 0.00 72.50 70.51 2k39 s THR 7 CO 0.12 -0.18 1.96 0.17 -0.54 0.00 0.00 174.62 176.16 2k39 h LEU 8 N 1.96 0.00 0.00 4.79 -0.00 -1.88 -1.29 115.31 118.89 2k39 h LEU 8 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2k39 h LEU 8 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2k39 h LEU 8 CO 0.64 0.00 -0.36 0.35 -0.00 0.00 0.00 178.44 179.07 2k39 n THR 9 N -3.80 0.05 -0.00 0.15 -2.24 -1.26 -4.96 114.28 102.22 2k39 n THR 9 Ca 0.07 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k39 n THR 9 Cb 0.57 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.48 0.31 3.77 3.38 0.00 -0.49 -5.10 105.19 108.54 2k39 n GLY 10 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N -0.99 4.23 0.19 1.61 2.20 -1.26 -4.81 119.74 120.91 2k39 s LYS 11 Ca 0.00 1.82 0.11 0.00 -0.36 0.00 0.00 55.97 57.54 2k39 s LYS 11 Cb 0.00 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2k39 s LYS 11 CO 0.00 -0.16 -0.20 0.99 -0.36 0.00 0.00 175.35 175.62 2k39 s THR 12 N -1.36 2.56 0.01 3.43 2.01 -1.26 -0.89 115.64 120.15 2k39 s THR 12 Ca 0.53 -1.93 0.02 0.00 0.31 0.00 0.00 61.69 60.62 2k39 s THR 12 Cb -0.31 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2k39 s THR 12 CO 0.39 -0.11 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.51 2k39 s ILE 13 N -1.67 0.53 -0.33 1.82 1.01 -0.48 -4.99 121.20 117.09 2k39 s ILE 13 Ca 0.22 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2k39 s ILE 13 Cb -0.08 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 41.98 2k39 s ILE 13 CO 0.11 -0.02 0.02 -0.89 0.00 0.00 0.00 174.94 174.16 2k39 s THR 14 N -0.53 2.30 0.50 2.92 2.01 -1.26 -1.27 115.64 120.30 2k39 s THR 14 Ca -0.01 -2.19 0.04 0.00 0.31 0.00 0.00 61.69 59.83 2k39 s THR 14 Cb -0.05 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.86 2k39 s THR 14 CO 0.00 -0.49 0.69 -0.76 -0.69 0.00 0.00 174.62 173.37 2k39 s LEU 15 N 0.95 3.43 -0.49 4.42 1.43 -1.12 -5.00 118.68 122.30 2k39 s LEU 15 Ca 0.07 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2k39 s LEU 15 Cb -0.19 -2.78 0.13 0.00 0.03 0.00 0.00 46.19 43.38 2k39 s LEU 15 CO -0.07 -0.99 0.24 -1.61 0.23 0.00 0.00 176.35 174.14 2k39 s GLU 16 N -4.60 1.82 0.48 1.70 0.41 -1.26 -3.70 118.70 113.54 2k39 s GLU 16 Ca 0.56 -2.46 0.08 0.00 -0.41 0.00 0.00 54.97 52.75 2k39 s GLU 16 Cb -0.10 -3.15 0.03 0.00 -1.78 0.00 0.00 34.13 29.13 2k39 s GLU 16 CO 0.36 -1.10 0.65 0.14 -0.49 0.00 0.00 175.26 174.82 2k39 s VAL 17 N -0.08 2.73 -0.05 2.63 -7.23 -0.78 -4.76 120.40 112.86 2k39 s VAL 17 Ca 0.16 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 2k39 s VAL 17 Cb -0.25 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 33.95 2k39 s VAL 17 CO -0.01 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.00 2k39 s GLU 18 N -4.47 1.18 0.56 4.82 -6.30 -1.26 -0.18 118.70 113.04 2k39 s GLU 18 Ca 0.57 -0.25 0.45 0.00 -2.50 0.00 0.00 54.97 53.24 2k39 s GLU 18 Cb -0.09 -1.06 1.66 0.00 0.00 0.00 0.00 34.13 34.64 2k39 s GLU 18 CO 0.35 -0.01 1.65 -1.35 0.02 0.00 0.00 175.26 175.92 2k39 h PRO 19 N 6.97 0.00 0.00 4.30 0.11 -1.92 -0.95 132.00 140.50 2k39 h PRO 19 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k39 h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k39 h PRO 19 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 2k39 n SER 20 N -3.99 0.64 -4.71 -2.05 3.41 -1.26 -0.60 113.62 105.06 2k39 n SER 20 Ca 0.37 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 59.16 2k39 n SER 20 Cb 1.74 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 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 -4.19 7.34 0.79 4.04 1.01 -0.36 -4.87 116.67 120.43 2k39 s ASP 21 Ca 0.08 1.65 -0.11 0.00 0.71 0.00 0.00 52.55 54.88 2k39 s ASP 21 Cb 0.12 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.54 2k39 s ASP 21 CO 0.50 -0.29 1.09 0.42 0.21 0.00 0.00 175.17 177.09 2k39 s THR 22 N 1.17 3.25 0.37 -1.27 -4.23 -1.26 -1.18 115.64 112.49 2k39 s THR 22 Ca 0.52 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.52 2k39 s THR 22 Cb -0.21 -3.06 0.32 0.00 1.34 0.00 0.00 72.50 70.89 2k39 s THR 22 CO 0.26 -0.53 1.91 0.40 -0.54 0.00 0.00 174.62 176.13 2k39 h ILE 23 N -1.10 0.89 -0.02 2.99 1.08 -1.82 0.11 117.51 119.64 2k39 h ILE 23 Ca -0.46 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 63.69 2k39 h ILE 23 Cb 1.25 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2k39 h ILE 23 CO 0.57 0.12 -0.42 -0.08 -0.69 0.00 0.00 178.15 177.65 2k39 h GLU 24 N 0.65 0.04 -0.63 2.37 4.57 -1.93 -3.08 114.58 116.57 2k39 h GLU 24 Ca 0.39 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2k39 h GLU 24 Cb 0.59 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2k39 h GLU 24 CO -0.15 0.45 0.42 -0.91 -1.18 0.00 0.00 179.01 177.63 2k39 h ASN 25 N 0.03 0.72 -0.36 1.04 4.21 -1.14 -2.58 115.58 117.50 2k39 h ASN 25 Ca -0.00 -0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.57 2k39 h ASN 25 Cb 0.75 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.71 2k39 h ASN 25 CO 0.06 0.52 -0.09 0.58 -1.29 0.00 0.00 177.43 177.20 2k39 h VAL 26 N 0.85 0.63 -0.56 2.81 2.07 -1.43 0.21 116.25 120.84 2k39 h VAL 26 Ca 0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 2k39 h VAL 26 Cb -0.08 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2k39 h VAL 26 CO -0.06 0.00 0.18 0.11 0.02 0.00 0.00 177.57 177.82 2k39 h LYS 27 N -0.01 0.34 -0.71 1.57 1.57 -1.49 0.31 116.57 118.16 2k39 h LYS 27 Ca 0.17 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2k39 h LYS 27 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2k39 h LYS 27 CO -0.37 0.22 0.23 0.00 -0.57 0.00 0.00 179.45 178.96 2k39 h ALA 28 N 1.39 1.07 -0.84 3.86 0.00 -0.89 -1.99 119.26 121.86 2k39 h ALA 28 Ca 0.28 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k39 h ALA 28 Cb 0.34 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2k39 h ALA 28 CO -0.30 0.64 0.53 0.87 0.00 0.00 0.00 179.25 180.99 2k39 h LYS 29 N 1.05 0.99 -0.25 0.00 1.57 -0.20 -2.31 116.57 117.42 2k39 h LYS 29 Ca 0.23 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2k39 h LYS 29 Cb 0.28 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2k39 h LYS 29 CO -0.01 0.66 -0.04 0.82 -0.57 0.00 0.00 179.45 180.30 2k39 h ILE 30 N 1.02 1.28 -0.47 1.86 2.04 -0.16 -3.02 117.51 120.05 2k39 h ILE 30 Ca 0.34 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.24 2k39 h ILE 30 Cb 0.05 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 2k39 h ILE 30 CO -0.13 0.32 -0.56 -0.61 0.00 0.00 0.00 178.15 177.17 2k39 h GLN 31 N 0.22 -0.34 -0.88 2.37 4.15 -1.38 0.10 115.11 119.36 2k39 h GLN 31 Ca 0.07 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.70 2k39 h GLN 31 Cb 0.50 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 2k39 h GLN 31 CO 0.02 -0.23 0.58 0.22 -1.93 0.00 0.00 178.83 177.50 2k39 h ASP 32 N -0.35 0.42 0.04 -0.69 3.58 -1.39 -0.91 116.42 117.12 2k39 h ASP 32 Ca 0.09 0.04 -0.38 0.00 0.42 0.00 0.00 57.03 57.20 2k39 h ASP 32 Cb 0.58 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 2k39 h ASP 32 CO -0.63 0.18 -2.36 0.29 -2.88 0.00 0.00 179.24 173.83 2k39 n LYS 33 N -4.51 0.67 0.00 0.28 4.76 -0.97 -4.66 118.16 113.73 2k39 n LYS 33 Ca 0.18 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2k39 n LYS 33 Cb 0.66 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 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 -3.18 0.85 -1.05 1.97 -0.58 -0.01 -5.07 120.64 113.57 2k39 n GLU 34 Ca -0.40 -0.78 -0.02 0.00 -0.42 0.00 0.00 57.16 55.54 2k39 n GLU 34 Cb 1.03 -0.79 -0.01 0.00 -0.57 0.00 0.00 31.44 31.10 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 -0.18 0.38 3.72 0.62 0.00 -0.35 -4.96 105.19 104.43 2k39 n GLY 35 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.59 4.92 0.60 -0.61 1.01 -1.26 -4.98 121.20 119.28 2k39 s ILE 36 Ca 0.00 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 2k39 s ILE 36 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2k39 s ILE 36 CO 0.00 0.23 1.00 -2.16 0.00 0.00 0.00 174.94 174.01 2k39 s PRO 37 N 0.76 3.63 0.18 2.79 0.04 -1.26 -3.48 135.00 137.65 2k39 s PRO 37 Ca 0.44 0.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.10 2k39 s PRO 37 Cb -0.20 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.29 2k39 s PRO 37 CO 0.23 -0.51 1.65 -1.00 0.04 0.00 0.00 177.00 177.41 2k39 h PRO 38 N -0.15 1.03 -0.10 0.56 0.13 -1.98 -3.09 132.00 128.40 2k39 h PRO 38 Ca -0.45 -0.31 0.03 0.00 -0.87 0.00 0.00 66.00 64.41 2k39 h PRO 38 Cb 1.19 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k39 h PRO 38 CO 0.62 1.00 0.22 0.22 -0.23 0.00 0.00 178.00 179.83 2k39 h ASP 39 N 0.93 0.00 0.69 1.44 3.58 -1.94 -1.70 116.42 119.42 2k39 h ASP 39 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k39 h ASP 39 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k39 h ASP 39 CO 0.02 0.00 -0.32 1.67 -2.88 0.00 0.00 179.24 177.73 2k39 n GLN 40 N -3.34 0.01 -3.87 0.28 7.27 -1.17 -4.89 117.38 111.67 2k39 n GLN 40 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.87 2k39 n GLN 40 Cb 0.32 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.44 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 -3.00 3.33 -0.25 3.69 -0.21 -0.64 0.11 119.66 122.68 2k39 s GLN 41 Ca 0.12 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 54.54 2k39 s GLN 41 Cb 0.18 -2.85 0.09 0.00 1.00 0.00 0.00 33.01 31.43 2k39 s GLN 41 CO 0.64 0.35 0.58 0.50 -2.12 0.00 0.00 175.29 175.24 2k39 s ARG 42 N -4.01 0.55 -0.23 2.91 3.52 -0.84 -4.80 118.95 116.05 2k39 s ARG 42 Ca 0.36 1.16 -0.11 0.00 -0.13 0.00 0.00 55.73 57.02 2k39 s ARG 42 Cb -0.09 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 2k39 s ARG 42 CO 0.29 -0.18 0.17 -0.51 -0.81 0.00 0.00 175.30 174.26 2k39 s LEU 43 N 2.03 4.14 -0.00 -0.88 1.43 -1.26 -0.80 118.68 123.33 2k39 s LEU 43 Ca -0.08 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2k39 s LEU 43 Cb -0.08 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2k39 s LEU 43 CO -0.17 0.08 -0.08 -0.63 0.23 0.00 0.00 176.35 175.78 2k39 s ILE 44 N 0.94 3.55 -0.10 -0.59 -1.09 0.67 -2.91 121.20 121.68 2k39 s ILE 44 Ca 0.08 -0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 57.65 2k39 s ILE 44 Cb -0.13 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.25 2k39 s ILE 44 CO 0.04 0.42 0.25 0.12 -1.23 0.00 0.00 174.94 174.53 2k39 s PHE 45 N -0.96 -0.29 -1.49 3.97 2.19 0.16 -1.42 117.98 120.13 2k39 s PHE 45 Ca 0.16 0.70 -0.11 0.00 0.33 0.00 0.00 56.93 58.01 2k39 s PHE 45 Cb -0.11 0.08 0.07 0.00 -1.31 0.00 0.00 43.02 41.75 2k39 s PHE 45 CO 0.06 -0.16 0.93 0.00 1.83 0.00 0.00 175.22 177.88 2k39 n ALA 46 N 3.32 -1.43 -0.99 11.12 0.00 -1.26 -1.06 120.51 130.22 2k39 n ALA 46 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k39 n ALA 46 Cb 0.57 -4.01 0.00 0.00 0.00 0.00 0.00 19.45 16.01 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 -1.68 0.50 3.29 0.00 0.00 -1.26 -5.02 105.19 101.03 2k39 n GLY 47 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.05 1.04 0.24 1.61 -2.85 -0.22 -5.14 119.74 114.37 2k39 s LYS 48 Ca 0.00 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2k39 s LYS 48 Cb 0.00 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 2k39 s LYS 48 CO 0.00 -0.37 1.52 -1.14 0.10 0.00 0.00 175.35 175.46 2k39 s GLN 49 N -3.92 4.21 -0.22 1.78 -0.44 -1.26 0.37 119.66 120.19 2k39 s GLN 49 Ca 0.12 2.40 -0.11 0.00 -2.50 0.00 0.00 55.36 55.27 2k39 s GLN 49 Cb 0.04 -3.09 -0.05 0.00 -1.64 0.00 0.00 33.01 28.26 2k39 s GLN 49 CO -0.05 -0.53 0.18 -0.51 0.50 0.00 0.00 175.29 174.88 2k39 s LEU 50 N -0.02 4.15 0.45 3.68 1.43 -1.14 -4.89 118.68 122.34 2k39 s LEU 50 Ca 0.63 0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2k39 s LEU 50 Cb -0.44 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2k39 s LEU 50 CO 0.41 0.09 0.80 -0.70 0.23 0.00 0.00 176.35 177.18 2k39 s GLU 51 N 0.85 3.69 0.79 1.70 2.56 -1.26 -4.87 118.70 122.16 2k39 s GLU 51 Ca 0.09 0.41 -0.14 0.00 0.00 0.00 0.00 54.97 55.33 2k39 s GLU 51 Cb -0.13 -2.36 0.05 0.00 2.00 0.00 0.00 34.13 33.70 2k39 s GLU 51 CO 0.03 -0.14 1.07 -3.47 -0.56 0.00 0.00 175.26 172.19 2k39 n ASP 52 N -1.73 0.62 0.00 -1.70 2.03 -1.26 -4.47 116.55 110.04 2k39 n ASP 52 Ca 0.02 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.93 2k39 n ASP 52 Cb 0.54 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k39 n GLY 53 N 0.80 0.57 3.61 0.27 0.00 -1.26 -5.07 105.19 104.11 2k39 n GLY 53 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.86 1.94 0.32 1.61 0.52 -1.26 -5.01 118.95 116.20 2k39 s ARG 54 Ca 0.00 -2.09 0.07 0.00 -0.52 0.00 0.00 55.73 53.19 2k39 s ARG 54 Cb 0.00 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 2k39 s ARG 54 CO 0.00 -0.03 0.28 0.95 0.02 0.00 0.00 175.30 176.51 2k39 s THR 55 N -2.71 3.77 0.40 0.02 -4.23 -1.26 -2.31 115.64 109.31 2k39 s THR 55 Ca 0.35 -1.37 0.25 0.00 -1.18 0.00 0.00 61.69 59.74 2k39 s THR 55 Cb 0.09 -3.24 0.42 0.00 1.34 0.00 0.00 72.50 71.11 2k39 s THR 55 CO 0.18 -0.21 1.61 -0.07 -0.54 0.00 0.00 174.62 175.59 2k39 h LEU 56 N 1.29 0.31 -0.37 4.79 4.07 -1.24 -1.93 115.31 122.23 2k39 h LEU 56 Ca -0.46 0.18 -0.18 0.00 0.08 0.00 0.00 57.88 57.51 2k39 h LEU 56 Cb 1.25 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.16 2k39 h LEU 56 CO 0.59 -0.26 -0.58 0.77 -1.08 0.00 0.00 178.44 177.88 2k39 h SER 57 N 0.09 0.83 0.53 -0.43 4.64 -1.13 -0.67 113.55 117.40 2k39 h SER 57 Ca 0.82 -0.46 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 2k39 h SER 57 Cb 2.36 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 64.20 2k39 h SER 57 CO -0.56 1.22 -0.47 0.44 -0.87 0.00 0.00 176.83 176.60 2k39 h ASP 58 N 0.56 0.00 -0.26 4.97 3.32 -1.66 -2.50 116.42 120.85 2k39 h ASP 58 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k39 h ASP 58 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2k39 h ASP 58 CO 0.12 0.47 0.00 -1.22 -1.72 0.00 0.00 179.24 176.89 2k39 n TYR 59 N -3.89 0.34 -1.88 4.55 4.01 -0.79 -4.95 117.16 114.55 2k39 n TYR 59 Ca -0.01 -0.17 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 2k39 n TYR 59 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 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 0.29 -5.13 -4.70 7.72 3.02 -0.94 -4.97 115.26 110.55 2k39 n ASN 60 Ca 0.11 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 2k39 n ASN 60 Cb 0.25 -4.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.19 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -2.75 4.42 0.34 2.41 1.01 -0.28 -5.01 121.20 121.33 2k39 s ILE 61 Ca 0.00 1.73 0.08 0.00 0.00 0.00 0.00 60.65 62.46 2k39 s ILE 61 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2k39 s ILE 61 CO 0.00 0.07 0.17 -1.58 0.00 0.00 0.00 174.94 173.60 2k39 s GLN 62 N 1.58 2.44 0.80 2.79 2.00 -1.26 -4.77 119.66 123.24 2k39 s GLN 62 Ca 0.55 -1.50 -0.15 0.00 -2.00 0.00 0.00 55.36 52.25 2k39 s GLN 62 Cb -0.24 -2.23 0.00 0.00 0.80 0.00 0.00 33.01 31.34 2k39 s GLN 62 CO 0.25 0.10 0.62 0.36 -0.50 0.00 0.00 175.29 176.12 2k39 n LYS 63 N -1.19 0.13 -0.47 1.67 -0.00 -1.26 -3.89 118.16 113.15 2k39 n LYS 63 Ca -0.03 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2k39 n LYS 63 Cb 0.61 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 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 -1.46 -0.21 -1.60 -1.58 1.02 0.36 -4.93 120.64 112.24 2k39 n GLU 64 Ca 0.10 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.92 2k39 n GLU 64 Cb 0.51 -4.05 0.08 0.00 -0.02 0.00 0.00 31.44 27.96 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 -1.71 4.36 -0.31 1.62 0.01 -1.25 -4.57 113.70 111.84 2k39 s SER 65 Ca 0.00 2.58 -0.10 0.00 1.31 0.00 0.00 55.95 59.74 2k39 s SER 65 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2k39 s SER 65 CO 0.00 -2.17 0.17 -0.89 0.41 0.00 0.00 173.24 170.76 2k39 s THR 66 N -1.55 4.74 0.24 1.44 2.01 -1.26 -2.16 115.64 119.09 2k39 s THR 66 Ca 0.81 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 2k39 s THR 66 Cb -0.36 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 2k39 s THR 66 CO 0.42 0.06 0.63 -0.76 -0.69 0.00 0.00 174.62 174.28 2k39 s LEU 67 N 1.64 4.20 0.08 4.42 1.02 -1.09 -4.91 118.68 124.04 2k39 s LEU 67 Ca 0.05 1.14 0.07 0.00 0.02 0.00 0.00 54.13 55.41 2k39 s LEU 67 Cb -0.17 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 2k39 s LEU 67 CO 0.07 -0.06 -0.12 -1.00 0.02 0.00 0.00 176.35 175.26 2k39 s HIS 68 N -1.74 2.70 -0.05 0.29 3.76 -0.51 -2.89 115.29 116.84 2k39 s HIS 68 Ca 0.47 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.26 2k39 s HIS 68 Cb -0.13 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 2k39 s HIS 68 CO 0.19 0.38 -0.24 -1.17 -0.85 0.00 0.00 174.74 173.06 2k39 s LEU 69 N -1.97 2.15 0.38 0.89 2.96 -1.20 -0.24 118.68 121.65 2k39 s LEU 69 Ca 0.19 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2k39 s LEU 69 Cb -0.11 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2k39 s LEU 69 CO 0.11 0.27 0.22 -0.69 -1.32 0.00 0.00 176.35 174.94 2k39 s VAL 70 N -0.30 2.71 -0.03 1.68 1.01 0.02 -3.95 120.40 121.54 2k39 s VAL 70 Ca 0.01 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.44 2k39 s VAL 70 Cb -0.13 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2k39 s VAL 70 CO 0.02 -0.07 -0.16 -1.48 0.00 0.00 0.00 175.10 173.41 2k39 s LEU 71 N -3.94 1.94 0.00 3.92 0.05 -1.26 -2.00 118.68 117.39 2k39 s LEU 71 Ca 0.42 -0.31 -0.01 0.00 0.05 0.00 0.00 54.13 54.28 2k39 s LEU 71 Cb -0.01 -0.86 0.03 0.00 -2.05 0.00 0.00 46.19 43.30 2k39 s LEU 71 CO 0.24 0.16 0.22 0.54 -0.55 0.00 0.00 176.35 176.96 2k39 n ARG 72 N 2.97 0.29 -2.76 1.48 1.74 0.29 -4.99 116.66 115.68 2k39 n ARG 72 Ca -0.17 -0.51 -0.24 0.00 -0.77 0.00 0.00 57.85 56.16 2k39 n ARG 72 Cb 0.54 -0.17 0.02 0.00 -1.02 0.00 0.00 32.46 31.83 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 3.50 0.00 0.55 1.43 -1.26 -4.90 118.68 118.00 2k39 s LEU 73 Ca 0.14 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2k39 s LEU 73 Cb -0.01 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2k39 s LEU 73 CO 0.09 -0.83 0.00 -1.14 0.23 0.00 0.00 176.35 174.70 2k39 n ARG 74 N -2.26 0.00 0.00 1.70 0.63 -1.26 -4.68 116.66 110.79 2k39 n ARG 74 Ca 0.03 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2k39 n ARG 74 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 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 -0.12 3.18 0.00 5.14 0.00 -1.26 -4.41 105.19 107.72 2k39 n GLY 75 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93