#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 3.81 0.42 2.12 -0.21 -1.26 -1.02 119.66 123.51 2k39 s GLN 2 Ca 0.00 0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.55 2k39 s GLN 2 Cb 0.00 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 2k39 s GLN 2 CO 0.00 0.61 0.37 0.96 -2.12 0.00 0.00 175.29 175.11 2k39 s ILE 3 N -0.67 2.60 0.22 1.08 -4.36 0.18 -2.11 121.20 118.14 2k39 s ILE 3 Ca 0.18 -1.37 0.10 0.00 -0.26 0.00 0.00 60.65 59.30 2k39 s ILE 3 Cb -0.14 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 2k39 s ILE 3 CO 0.07 0.00 -0.14 -0.36 0.24 0.00 0.00 174.94 174.75 2k39 s PHE 4 N -2.49 2.48 -0.09 1.37 0.08 -0.17 -2.30 117.98 116.86 2k39 s PHE 4 Ca 0.47 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2k39 s PHE 4 Cb -0.03 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2k39 s PHE 4 CO 0.27 0.58 -0.19 0.08 -0.10 0.00 0.00 175.22 175.87 2k39 s VAL 5 N -2.01 2.60 -0.14 -0.44 1.01 0.18 -2.29 120.40 119.29 2k39 s VAL 5 Ca 0.26 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2k39 s VAL 5 Cb -0.07 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2k39 s VAL 5 CO 0.15 0.56 -0.18 -0.75 0.00 0.00 0.00 175.10 174.87 2k39 s LYS 6 N -0.04 2.64 -0.14 2.72 2.20 0.11 -0.24 119.74 126.99 2k39 s LYS 6 Ca -0.05 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.59 2k39 s LYS 6 Cb -0.14 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.91 2k39 s LYS 6 CO 0.04 -0.12 0.85 0.99 -0.36 0.00 0.00 175.35 176.75 2k39 s THR 7 N 1.12 4.88 -1.13 3.43 2.01 0.38 -0.35 115.64 125.99 2k39 s THR 7 Ca -0.01 1.69 0.05 0.00 0.31 0.00 0.00 61.69 63.73 2k39 s THR 7 Cb -0.14 -4.16 0.05 0.00 0.01 0.00 0.00 72.50 68.26 2k39 s THR 7 CO -0.06 0.05 1.10 0.00 -0.69 0.00 0.00 174.62 175.02 2k39 n LEU 8 N 5.00 0.00 -0.15 4.42 -0.00 -1.23 -1.65 117.00 123.38 2k39 n LEU 8 Ca 0.05 0.43 0.14 0.00 -0.00 0.00 0.00 56.01 56.63 2k39 n LEU 8 Cb 0.49 -0.43 0.63 0.00 -0.00 0.00 0.00 43.42 44.11 2k39 n LEU 8 CO 0.49 -0.37 0.89 0.35 -0.00 0.00 0.00 177.39 178.76 2k39 n THR 9 N -1.43 0.00 0.00 1.47 -2.24 -1.26 -4.82 114.28 105.99 2k39 n THR 9 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k39 n THR 9 Cb 0.05 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.23 1.30 2.96 3.38 0.00 -0.66 -5.14 105.19 108.27 2k39 n GLY 10 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.72 -0.15 1.61 1.02 -1.03 -5.05 119.74 117.86 2k39 s LYS 11 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 2k39 s LYS 11 Cb 0.00 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 2k39 s LYS 11 CO 0.00 -0.16 -0.10 0.99 -0.92 0.00 0.00 175.35 175.15 2k39 s THR 12 N 1.33 3.19 -0.16 2.17 2.01 -1.26 -0.47 115.64 122.45 2k39 s THR 12 Ca -0.02 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 2k39 s THR 12 Cb -0.14 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2k39 s THR 12 CO -0.05 0.50 0.19 -0.63 -0.69 0.00 0.00 174.62 173.95 2k39 s ILE 13 N 0.58 5.39 -0.19 1.82 1.09 0.66 -4.99 121.20 125.56 2k39 s ILE 13 Ca -0.06 0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.77 2k39 s ILE 13 Cb -0.15 -3.50 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 2k39 s ILE 13 CO 0.03 0.49 -0.03 0.28 -0.10 0.00 0.00 174.94 175.61 2k39 s THR 14 N -0.10 3.77 -0.01 2.92 -1.32 -1.26 -0.65 115.64 118.99 2k39 s THR 14 Ca 0.13 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.25 2k39 s THR 14 Cb -0.12 -2.69 -0.01 0.00 -1.51 0.00 0.00 72.50 68.18 2k39 s THR 14 CO 0.02 0.45 -0.08 -0.22 -2.21 0.00 0.00 174.62 172.58 2k39 s LEU 15 N 0.89 2.00 -0.32 9.08 2.96 -0.97 -5.00 118.68 127.32 2k39 s LEU 15 Ca 0.00 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.61 2k39 s LEU 15 Cb -0.14 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 2k39 s LEU 15 CO 0.02 0.09 0.40 -1.61 -1.32 0.00 0.00 176.35 173.93 2k39 s GLU 16 N -0.17 3.71 0.08 1.98 8.01 -1.26 -0.64 118.70 130.41 2k39 s GLU 16 Ca 0.03 -0.23 -0.08 0.00 0.01 0.00 0.00 54.97 54.70 2k39 s GLU 16 Cb -0.03 -3.76 -0.00 0.00 -4.31 0.00 0.00 34.13 26.02 2k39 s GLU 16 CO -0.00 -0.48 0.18 0.14 0.01 0.00 0.00 175.26 175.11 2k39 s VAL 17 N 2.12 0.14 0.03 2.63 -7.23 -0.19 -4.94 120.40 112.96 2k39 s VAL 17 Ca 0.14 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2k39 s VAL 17 Cb -0.16 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2k39 s VAL 17 CO 0.12 -0.65 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.57 2k39 s GLU 18 N -3.72 2.42 0.55 4.82 0.41 -1.26 -1.54 118.70 120.38 2k39 s GLU 18 Ca 0.04 -0.82 0.34 0.00 -0.41 0.00 0.00 54.97 54.12 2k39 s GLU 18 Cb 0.04 -2.44 1.50 0.00 -1.78 0.00 0.00 34.13 31.46 2k39 s GLU 18 CO -0.10 0.57 1.81 -1.35 -0.49 0.00 0.00 175.26 175.70 2k39 h PRO 19 N 4.25 0.00 -0.27 0.39 0.11 -1.96 -1.24 132.00 133.29 2k39 h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.53 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.77 2k39 n SER 20 N -4.09 1.87 -4.81 -2.05 2.88 -1.26 0.48 113.62 106.64 2k39 n SER 20 Ca 0.22 -1.85 -0.34 0.00 -1.33 0.00 0.00 58.87 55.57 2k39 n SER 20 Cb 1.13 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 64.35 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k39 s ASP 21 N -1.31 6.83 0.39 -3.46 1.01 -0.47 -4.69 116.67 114.97 2k39 s ASP 21 Ca 0.29 1.76 -0.09 0.00 0.71 0.00 0.00 52.55 55.23 2k39 s ASP 21 Cb 0.16 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 2k39 s ASP 21 CO 0.22 -0.44 0.73 0.42 0.21 0.00 0.00 175.17 176.31 2k39 s THR 22 N -2.08 4.84 0.56 -1.27 -4.23 -1.26 -2.02 115.64 110.18 2k39 s THR 22 Ca 0.62 0.47 0.25 0.00 -1.18 0.00 0.00 61.69 61.85 2k39 s THR 22 Cb -0.12 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 70.32 2k39 s THR 22 CO 0.16 -0.52 2.12 0.40 -0.54 0.00 0.00 174.62 176.24 2k39 h ILE 23 N 1.06 0.66 0.16 2.99 1.08 -1.90 -2.74 117.51 118.81 2k39 h ILE 23 Ca -0.47 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 63.66 2k39 h ILE 23 Cb 1.19 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2k39 h ILE 23 CO 0.64 0.00 -1.70 -0.08 -0.69 0.00 0.00 178.15 176.32 2k39 h GLU 24 N 0.00 0.33 -0.86 2.37 4.22 -1.95 0.74 114.58 119.44 2k39 h GLU 24 Ca 0.08 -0.57 -0.00 0.00 0.08 0.00 0.00 59.36 58.95 2k39 h GLU 24 Cb 0.39 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2k39 h GLU 24 CO -0.00 1.23 0.52 -0.97 -2.18 0.00 0.00 179.01 177.61 2k39 h ASN 25 N 0.09 1.03 0.49 1.04 -0.73 -1.96 -2.38 115.58 113.15 2k39 h ASN 25 Ca -0.32 -0.06 -0.01 0.00 1.87 0.00 0.00 56.30 57.78 2k39 h ASN 25 Cb 2.07 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 40.38 2k39 h ASN 25 CO 0.17 0.78 -0.44 0.58 -0.37 0.00 0.00 177.43 178.15 2k39 h VAL 26 N 1.18 0.13 0.00 2.57 2.07 -1.13 -2.57 116.25 118.50 2k39 h VAL 26 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2k39 h VAL 26 Cb -0.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2k39 h VAL 26 CO -0.06 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.03 2k39 h LYS 27 N -0.92 0.00 0.11 1.57 3.64 -0.85 0.08 116.57 120.20 2k39 h LYS 27 Ca -0.05 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 2k39 h LYS 27 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2k39 h LYS 27 CO -0.04 0.00 -1.58 0.00 -2.27 0.00 0.00 179.45 175.57 2k39 h ALA 28 N 2.08 0.32 0.00 5.00 0.00 -1.45 -3.33 119.26 121.88 2k39 h ALA 28 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 54.91 53.71 2k39 h ALA 28 Cb 0.38 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k39 h ALA 28 CO 0.00 1.18 -0.24 0.87 0.00 0.00 0.00 179.25 181.07 2k39 h LYS 29 N 0.06 0.00 0.00 0.00 1.57 -0.55 0.15 116.57 117.80 2k39 h LYS 29 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2k39 h LYS 29 Cb 2.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.32 2k39 h LYS 29 CO 0.15 0.24 -0.03 0.82 -0.57 0.00 0.00 179.45 180.05 2k39 h ILE 30 N 0.00 0.09 0.21 1.86 2.04 -1.61 -2.66 117.51 117.44 2k39 h ILE 30 Ca -0.00 -0.58 -0.33 0.00 1.00 0.00 0.00 64.86 64.94 2k39 h ILE 30 Cb 0.76 1.53 0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2k39 h ILE 30 CO 0.03 0.03 -1.54 -0.61 0.00 0.00 0.00 178.15 176.06 2k39 h GLN 31 N 0.00 0.44 -0.45 2.37 4.15 -1.03 -0.62 115.11 119.98 2k39 h GLN 31 Ca -0.00 -0.76 -0.10 0.00 0.77 0.00 0.00 58.65 58.55 2k39 h GLN 31 Cb 0.53 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2k39 h GLN 31 CO 0.00 1.35 -0.13 0.22 -1.93 0.00 0.00 178.83 178.35 2k39 h ASP 32 N 0.12 0.89 0.30 -0.69 3.58 -1.44 -1.52 116.42 117.66 2k39 h ASP 32 Ca -0.27 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 56.74 2k39 h ASP 32 Cb 2.12 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 2k39 h ASP 32 CO 0.23 1.06 -1.77 0.29 -2.88 0.00 0.00 179.24 176.16 2k39 n LYS 33 N -4.24 0.65 0.00 0.28 5.02 -1.01 -4.70 118.16 114.16 2k39 n LYS 33 Ca -0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2k39 n LYS 33 Cb 0.40 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.49 3.71 0.00 1.97 -0.58 -0.30 -5.05 120.64 117.90 2k39 n GLU 34 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2k39 n GLU 34 Cb 0.68 -0.58 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 0.55 0.73 3.57 0.62 0.00 -0.57 -4.95 105.19 105.13 2k39 n GLY 35 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.67 0.54 -0.61 1.01 -1.25 -4.95 121.20 118.61 2k39 s ILE 36 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 2k39 s ILE 36 Cb 0.00 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 2k39 s ILE 36 CO 0.00 0.40 1.17 -2.16 0.00 0.00 0.00 174.94 174.35 2k39 s PRO 37 N 0.92 3.32 0.27 2.79 0.04 -1.26 -3.60 135.00 137.48 2k39 s PRO 37 Ca 0.04 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 2k39 s PRO 37 Cb -0.14 -2.08 0.34 0.00 0.04 0.00 0.00 34.50 32.67 2k39 s PRO 37 CO 0.03 -0.90 1.86 -1.00 0.04 0.00 0.00 177.00 177.02 2k39 h PRO 38 N 1.30 1.02 -0.98 0.56 0.13 -1.93 -3.16 132.00 128.95 2k39 h PRO 38 Ca -0.50 -0.15 0.34 0.00 -0.87 0.00 0.00 66.00 64.81 2k39 h PRO 38 Cb 1.27 -0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 2k39 h PRO 38 CO 0.57 0.80 0.38 0.22 -0.23 0.00 0.00 178.00 179.74 2k39 h ASP 39 N 1.01 0.12 0.04 1.44 3.58 -1.95 -1.34 116.42 119.33 2k39 h ASP 39 Ca 0.24 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2k39 h ASP 39 Cb 0.14 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2k39 h ASP 39 CO -0.03 -0.31 -0.17 0.00 -2.88 0.00 0.00 179.24 175.85 2k39 n GLN 40 N -5.27 1.52 -3.84 0.28 1.13 -1.19 -4.94 117.38 105.07 2k39 n GLN 40 Ca 0.31 -1.09 -0.36 0.00 -1.94 0.00 0.00 57.00 53.92 2k39 n GLN 40 Cb 1.01 -1.48 -0.13 0.00 0.11 0.00 0.00 30.24 29.75 2k39 n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2k39 s GLN 41 N -2.23 2.97 -0.20 -1.09 0.74 -0.51 -0.95 119.66 118.39 2k39 s GLN 41 Ca 0.28 -0.91 -0.09 0.00 0.05 0.00 0.00 55.36 54.69 2k39 s GLN 41 Cb 0.20 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 2k39 s GLN 41 CO 0.42 -0.43 0.10 0.50 -0.55 0.00 0.00 175.29 175.33 2k39 s ARG 42 N 1.42 4.03 -0.06 1.67 3.52 -1.18 -4.95 118.95 123.41 2k39 s ARG 42 Ca 0.01 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2k39 s ARG 42 Cb -0.17 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 2k39 s ARG 42 CO -0.00 0.21 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.02 2k39 s LEU 43 N 0.56 2.57 -0.13 -0.88 1.43 -1.26 -0.82 118.68 120.16 2k39 s LEU 43 Ca 0.05 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2k39 s LEU 43 Cb -0.12 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2k39 s LEU 43 CO 0.01 0.29 -0.15 -0.63 0.23 0.00 0.00 176.35 176.10 2k39 s ILE 44 N -0.42 2.86 -0.03 -0.59 1.01 0.25 -0.16 121.20 124.12 2k39 s ILE 44 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2k39 s ILE 44 Cb -0.12 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2k39 s ILE 44 CO 0.02 0.53 -0.08 0.12 0.00 0.00 0.00 174.94 175.52 2k39 s PHE 45 N 0.41 0.94 0.00 3.97 5.36 -0.26 -0.78 117.98 127.62 2k39 s PHE 45 Ca -0.12 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2k39 s PHE 45 Cb -0.16 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.82 2k39 s PHE 45 CO 0.06 -0.13 0.00 0.00 -1.46 0.00 0.00 175.22 173.68 2k39 n ALA 46 N 3.49 0.00 0.00 11.12 0.00 -1.26 -1.73 120.51 132.13 2k39 n ALA 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k39 n ALA 46 Cb 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.98 1.37 3.67 0.00 0.00 -1.26 -5.09 105.19 101.90 2k39 n GLY 47 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 4.16 -0.22 1.61 3.01 -0.71 -5.04 119.74 122.32 2k39 s LYS 48 Ca 0.00 0.08 -0.28 0.00 -1.01 0.00 0.00 55.97 54.76 2k39 s LYS 48 Cb 0.00 -3.53 -0.05 0.00 -1.01 0.00 0.00 37.83 33.24 2k39 s LYS 48 CO 0.00 0.00 2.08 1.14 0.51 0.00 0.00 175.35 179.09 2k39 s GLN 49 N 1.19 3.30 -0.05 1.68 -2.07 -1.26 -1.10 119.66 121.35 2k39 s GLN 49 Ca 0.16 1.95 -0.23 0.00 -1.82 0.00 0.00 55.36 55.42 2k39 s GLN 49 Cb -0.14 -4.30 -0.04 0.00 -1.09 0.00 0.00 33.01 27.43 2k39 s GLN 49 CO 0.07 -1.91 0.68 -0.51 -1.32 0.00 0.00 175.29 172.29 2k39 s LEU 50 N 7.52 4.35 0.23 2.60 1.43 0.77 -4.97 118.68 130.60 2k39 s LEU 50 Ca 0.94 1.19 0.11 0.00 -1.03 0.00 0.00 54.13 55.34 2k39 s LEU 50 Cb -0.31 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2k39 s LEU 50 CO 0.35 -0.06 -0.21 -1.61 0.23 0.00 0.00 176.35 175.05 2k39 s GLU 51 N 0.53 1.64 0.29 1.70 2.02 -1.26 -4.64 118.70 118.98 2k39 s GLU 51 Ca 0.36 -1.59 -0.28 0.00 0.02 0.00 0.00 54.97 53.48 2k39 s GLU 51 Cb -0.18 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 32.11 2k39 s GLU 51 CO 0.18 0.38 0.95 0.34 0.02 0.00 0.00 175.26 177.13 2k39 s ASP 52 N -3.01 7.45 0.00 -0.19 2.15 -1.26 -4.00 116.67 117.81 2k39 s ASP 52 Ca 0.25 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.13 2k39 s ASP 52 Cb -0.07 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2k39 s ASP 52 CO 0.12 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.75 2k39 n GLY 53 N 0.98 1.30 3.22 2.66 0.00 -1.26 -5.09 105.19 107.00 2k39 n GLY 53 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 2.45 0.52 1.61 0.52 -1.26 -5.12 118.95 117.64 2k39 s ARG 54 Ca 0.00 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2k39 s ARG 54 Cb 0.00 -2.02 0.12 0.00 0.52 0.00 0.00 34.95 33.57 2k39 s ARG 54 CO 0.00 0.29 0.70 0.25 0.02 0.00 0.00 175.30 176.56 2k39 n THR 55 N 3.16 0.00 -0.19 0.02 -2.24 -1.26 -4.42 114.28 109.35 2k39 n THR 55 Ca -0.18 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 60.98 2k39 n THR 55 Cb 0.52 -1.67 0.13 0.00 -2.10 0.00 0.00 70.33 67.21 2k39 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 56 N 0.00 0.91 -0.21 3.22 4.07 -1.29 -2.90 115.31 119.11 2k39 h LEU 56 Ca -0.23 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.54 2k39 h LEU 56 Cb 0.65 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2k39 h LEU 56 CO 0.17 0.89 0.07 0.28 -1.08 0.00 0.00 178.44 178.76 2k39 h SER 57 N 0.93 0.31 -1.03 -0.43 0.02 -0.23 0.68 113.55 113.79 2k39 h SER 57 Ca 0.20 -0.20 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 2k39 h SER 57 Cb 0.34 -0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.67 2k39 h SER 57 CO 0.00 0.42 0.62 0.44 -1.14 0.00 0.00 176.83 177.17 2k39 h ASP 58 N 0.18 0.56 0.16 3.07 3.32 -1.84 -1.57 116.42 120.29 2k39 h ASP 58 Ca 0.07 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2k39 h ASP 58 Cb 0.22 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2k39 h ASP 58 CO -0.00 0.01 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.09 2k39 n TYR 59 N -4.87 0.00 -2.18 4.55 4.01 -1.10 -4.99 117.16 112.58 2k39 n TYR 59 Ca 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2k39 n TYR 59 Cb 0.89 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.38 -1.65 -4.84 7.72 3.02 -0.59 -4.95 115.26 113.59 2k39 n ASN 60 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 2k39 n ASN 60 Cb 0.36 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 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 4.90 0.00 2.41 1.01 0.18 -5.01 121.20 121.95 2k39 s ILE 61 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2k39 s ILE 61 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2k39 s ILE 61 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.34 2k39 n GLN 62 N 1.27 0.14 -1.69 2.79 1.13 -1.26 -4.62 117.38 115.14 2k39 n GLN 62 Ca -0.09 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.55 2k39 n GLN 62 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 2k39 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2k39 n LYS 63 N 0.00 2.78 -0.98 -1.09 4.81 -1.26 -2.85 118.16 119.57 2k39 n LYS 63 Ca 0.00 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2k39 n LYS 63 Cb 0.00 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.14 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 5.78 -0.81 -3.10 1.64 4.71 -0.90 -4.95 120.64 123.01 2k39 n GLU 64 Ca 0.18 0.20 -0.34 0.00 -0.01 0.00 0.00 57.16 57.20 2k39 n GLU 64 Cb 0.37 -3.85 -0.06 0.00 -1.01 0.00 0.00 31.44 26.89 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 -2.06 6.89 -0.13 1.62 0.01 -1.13 -4.74 113.70 114.17 2k39 s SER 65 Ca 0.00 1.36 0.02 0.00 1.31 0.00 0.00 55.95 58.64 2k39 s SER 65 Cb 0.00 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.84 2k39 s SER 65 CO 0.00 -0.13 -0.18 -0.89 0.41 0.00 0.00 173.24 172.45 2k39 s THR 66 N -1.83 1.74 0.05 1.44 2.01 -1.26 -1.00 115.64 116.80 2k39 s THR 66 Ca 0.51 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2k39 s THR 66 Cb -0.13 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 2k39 s THR 66 CO 0.18 0.49 0.47 -0.76 -0.69 0.00 0.00 174.62 174.31 2k39 s LEU 67 N 1.00 4.45 -0.33 4.42 1.02 -0.97 -4.81 118.68 123.47 2k39 s LEU 67 Ca -0.05 1.03 -0.12 0.00 0.02 0.00 0.00 54.13 55.02 2k39 s LEU 67 Cb -0.15 -2.80 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 2k39 s LEU 67 CO -0.03 0.26 0.21 -1.00 0.02 0.00 0.00 176.35 175.81 2k39 s HIS 68 N -1.18 3.21 -0.18 0.29 3.76 0.04 0.07 115.29 121.30 2k39 s HIS 68 Ca 0.28 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.66 2k39 s HIS 68 Cb -0.17 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 2k39 s HIS 68 CO 0.16 -0.39 0.57 -1.17 -0.85 0.00 0.00 174.74 173.06 2k39 s LEU 69 N 1.68 4.18 -0.28 0.89 0.20 0.53 -0.58 118.68 125.29 2k39 s LEU 69 Ca 0.06 0.80 0.01 0.00 0.69 0.00 0.00 54.13 55.69 2k39 s LEU 69 Cb -0.17 -2.81 0.08 0.00 -0.43 0.00 0.00 46.19 42.86 2k39 s LEU 69 CO 0.09 -0.19 0.02 0.68 -0.29 0.00 0.00 176.35 176.66 2k39 s VAL 70 N 1.54 1.56 -0.04 1.68 -7.23 0.00 -3.58 120.40 114.34 2k39 s VAL 70 Ca 0.27 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 2k39 s VAL 70 Cb -0.16 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 2k39 s VAL 70 CO 0.11 -0.39 1.02 -0.22 -0.31 0.00 0.00 175.10 175.30 2k39 s LEU 71 N 1.32 4.32 0.00 1.32 2.96 -1.26 -3.07 118.68 124.26 2k39 s LEU 71 Ca 0.03 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 2k39 s LEU 71 Cb -0.18 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2k39 s LEU 71 CO -0.12 -0.36 0.00 -1.14 -1.32 0.00 0.00 176.35 173.41 2k39 n ARG 72 N 4.39 0.00 -4.05 1.98 0.63 -0.13 -4.74 116.66 114.74 2k39 n ARG 72 Ca 0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.88 2k39 n ARG 72 Cb 0.50 -0.16 -0.11 0.00 0.45 0.00 0.00 32.46 33.13 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2k39 s LEU 73 N 0.00 2.25 -0.08 6.15 2.34 -1.26 -5.06 118.68 123.02 2k39 s LEU 73 Ca 0.00 -0.53 -0.30 0.00 0.06 0.00 0.00 54.13 53.36 2k39 s LEU 73 Cb 0.00 -0.13 -0.02 0.00 -0.56 0.00 0.00 46.19 45.48 2k39 s LEU 73 CO 0.00 -0.21 1.02 -0.60 -1.06 0.00 0.00 176.35 175.50 2k39 s ARG 74 N -1.54 4.44 0.42 1.48 3.52 -1.26 -4.88 118.95 121.13 2k39 s ARG 74 Ca -0.11 1.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.96 2k39 s ARG 74 Cb -0.10 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2k39 s ARG 74 CO 0.00 -0.28 0.09 0.20 -0.81 0.00 0.00 175.30 174.49 2k39 s GLY 75 N 1.12 2.62 0.00 8.12 0.00 -1.26 -5.14 107.32 112.78 2k39 s GLY 75 Ca 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2k39 s GLY 75 CO 0.20 -1.92 0.00 0.61 0.00 0.00 0.00 173.10 171.99