#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 3.49 0.07 2.12 1.11 -1.26 -1.64 119.66 123.55 2k39 s GLN 2 Ca 0.00 -0.33 -0.16 0.00 0.01 0.00 0.00 55.36 54.88 2k39 s GLN 2 Cb 0.00 -2.99 0.03 0.00 -1.01 0.00 0.00 33.01 29.04 2k39 s GLN 2 CO 0.00 0.57 0.36 0.96 0.01 0.00 0.00 175.29 177.19 2k39 s ILE 3 N -1.55 0.07 -0.02 1.08 -4.36 -1.22 -0.49 121.20 114.72 2k39 s ILE 3 Ca 0.37 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 60.16 2k39 s ILE 3 Cb -0.13 -1.06 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 2k39 s ILE 3 CO 0.27 -0.34 -0.05 -0.36 0.24 0.00 0.00 174.94 174.69 2k39 s PHE 4 N -3.07 2.94 -0.06 1.37 0.08 0.01 -3.06 117.98 116.20 2k39 s PHE 4 Ca -0.01 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.07 2k39 s PHE 4 Cb 0.01 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2k39 s PHE 4 CO -0.07 0.38 -0.14 0.08 -0.10 0.00 0.00 175.22 175.38 2k39 s VAL 5 N -0.95 3.09 -0.03 -0.44 1.01 -0.75 -0.25 120.40 122.08 2k39 s VAL 5 Ca 0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2k39 s VAL 5 Cb -0.11 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2k39 s VAL 5 CO 0.06 0.58 0.15 -0.54 0.00 0.00 0.00 175.10 175.35 2k39 s LYS 6 N -0.57 3.36 -0.01 2.72 1.02 0.34 -0.43 119.74 126.16 2k39 s LYS 6 Ca 0.08 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.80 2k39 s LYS 6 Cb -0.11 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2k39 s LYS 6 CO 0.01 0.69 -0.13 0.99 -0.92 0.00 0.00 175.35 175.99 2k39 s THR 7 N -1.24 3.18 0.22 2.17 2.01 0.13 -1.17 115.64 120.95 2k39 s THR 7 Ca 0.24 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 2k39 s THR 7 Cb -0.12 -2.31 0.24 0.00 0.01 0.00 0.00 72.50 70.32 2k39 s THR 7 CO 0.15 0.48 1.63 0.25 -0.69 0.00 0.00 174.62 176.44 2k39 h LEU 8 N 4.92 -0.50 -0.04 4.42 7.12 -1.84 0.04 115.31 129.44 2k39 h LEU 8 Ca -0.47 0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.72 2k39 h LEU 8 Cb 1.16 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 2k39 h LEU 8 CO 0.51 -0.19 0.00 0.35 -0.13 0.00 0.00 178.44 178.97 2k39 n THR 9 N -5.40 0.01 0.00 1.05 -2.24 -1.26 -4.86 114.28 101.58 2k39 n THR 9 Ca 0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2k39 n THR 9 Cb 0.36 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.73 1.47 3.81 3.38 0.00 0.00 -5.12 105.19 109.46 2k39 n GLY 10 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.26 -0.15 1.61 2.20 -1.24 -4.83 119.74 121.59 2k39 s LYS 11 Ca 0.00 1.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.80 2k39 s LYS 11 Cb 0.00 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2k39 s LYS 11 CO 0.00 -0.00 -0.20 0.99 -0.36 0.00 0.00 175.35 175.78 2k39 s THR 12 N -2.07 2.21 0.20 3.43 2.01 -1.26 0.22 115.64 120.38 2k39 s THR 12 Ca 0.60 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2k39 s THR 12 Cb -0.11 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2k39 s THR 12 CO 0.15 0.54 0.01 2.30 -0.69 0.00 0.00 174.62 176.93 2k39 n ILE 13 N 4.16 0.00 -3.68 1.82 -6.64 0.42 -4.98 119.36 110.46 2k39 n ILE 13 Ca -0.20 -0.95 -0.14 0.00 -1.77 0.00 0.00 62.75 59.69 2k39 n ILE 13 Cb 0.51 0.16 -0.08 0.00 -1.44 0.00 0.00 39.64 38.79 2k39 n ILE 13 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2k39 s THR 14 N -1.69 0.01 0.03 7.28 -1.32 -1.26 -1.81 115.64 116.89 2k39 s THR 14 Ca 0.01 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.39 2k39 s THR 14 Cb -0.00 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.22 2k39 s THR 14 CO 0.01 -0.06 -0.05 -1.48 -2.21 0.00 0.00 174.62 170.83 2k39 s LEU 15 N -0.37 2.27 -0.28 9.08 0.05 -1.17 -5.00 118.68 123.26 2k39 s LEU 15 Ca -0.05 -0.57 -0.13 0.00 0.05 0.00 0.00 54.13 53.43 2k39 s LEU 15 Cb -0.03 0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.07 2k39 s LEU 15 CO 0.03 -0.29 0.30 -1.61 -0.55 0.00 0.00 176.35 174.23 2k39 s GLU 16 N -1.74 3.98 0.33 1.48 8.01 -1.26 -3.37 118.70 126.13 2k39 s GLU 16 Ca -0.11 -0.12 0.04 0.00 0.01 0.00 0.00 54.97 54.79 2k39 s GLU 16 Cb -0.08 -3.66 -0.02 0.00 -4.31 0.00 0.00 34.13 26.06 2k39 s GLU 16 CO -0.01 -0.24 0.35 1.33 0.01 0.00 0.00 175.26 176.69 2k39 n VAL 17 N 5.10 0.00 -3.88 2.63 0.24 -0.65 -4.87 118.33 116.89 2k39 n VAL 17 Ca -0.11 -2.17 -0.11 0.00 -2.04 0.00 0.00 64.34 59.91 2k39 n VAL 17 Cb 0.51 1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 33.91 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 -3.14 0.18 0.55 7.34 2.12 -1.26 -0.07 118.70 124.41 2k39 s GLU 18 Ca 0.35 -0.12 0.23 0.00 0.36 0.00 0.00 54.97 55.79 2k39 s GLU 18 Cb 0.01 0.07 1.48 0.00 0.26 0.00 0.00 34.13 35.95 2k39 s GLU 18 CO 0.25 -0.03 2.15 -1.00 -0.54 0.00 0.00 175.26 176.09 2k39 h PRO 19 N 5.52 0.00 -0.86 4.30 0.14 -1.95 -1.58 132.00 137.57 2k39 h PRO 19 Ca -0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.87 2k39 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 2k39 h PRO 19 CO 0.45 0.00 0.00 0.43 0.14 0.00 0.00 178.00 179.02 2k39 n SER 20 N -4.24 2.20 -4.85 1.44 7.64 -1.26 -0.62 113.62 113.93 2k39 n SER 20 Ca -0.00 -2.23 -0.33 0.00 1.01 0.00 0.00 58.87 57.31 2k39 n SER 20 Cb 0.20 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.24 6.77 0.37 6.43 1.01 -0.60 -4.89 116.67 125.52 2k39 s ASP 21 Ca 0.14 1.14 -0.10 0.00 0.71 0.00 0.00 52.55 54.45 2k39 s ASP 21 Cb 0.11 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 41.66 2k39 s ASP 21 CO 0.04 -0.08 0.72 0.42 0.21 0.00 0.00 175.17 176.48 2k39 s THR 22 N -1.79 4.83 0.51 -1.27 -4.23 -1.26 -2.38 115.64 110.04 2k39 s THR 22 Ca 0.48 0.54 0.26 0.00 -1.18 0.00 0.00 61.69 61.79 2k39 s THR 22 Cb -0.12 -3.72 0.42 0.00 1.34 0.00 0.00 72.50 70.42 2k39 s THR 22 CO 0.19 -0.43 1.94 0.40 -0.54 0.00 0.00 174.62 176.18 2k39 h ILE 23 N 1.27 0.67 -0.28 2.99 1.08 -1.71 -2.67 117.51 118.85 2k39 h ILE 23 Ca -0.47 -0.03 -0.15 0.00 -0.39 0.00 0.00 64.86 63.82 2k39 h ILE 23 Cb 1.19 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.52 2k39 h ILE 23 CO 0.65 0.02 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.64 2k39 h GLU 24 N 0.08 0.78 0.00 2.37 4.81 -1.95 -2.13 114.58 118.54 2k39 h GLU 24 Ca 0.34 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2k39 h GLU 24 Cb 1.24 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2k39 h GLU 24 CO -0.03 1.08 -0.04 -0.91 -0.73 0.00 0.00 179.01 178.38 2k39 h ASN 25 N 0.53 0.00 0.00 1.04 2.35 -1.88 -0.73 115.58 116.89 2k39 h ASN 25 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2k39 h ASN 25 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2k39 h ASN 25 CO 0.09 0.04 -0.00 0.58 -1.65 0.00 0.00 177.43 176.49 2k39 h VAL 26 N 0.00 1.76 0.00 2.81 2.07 -1.58 -3.35 116.25 117.95 2k39 h VAL 26 Ca -0.00 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 2k39 h VAL 26 Cb 0.68 3.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2k39 h VAL 26 CO 0.00 0.58 -0.04 0.11 0.02 0.00 0.00 177.57 178.24 2k39 h LYS 27 N -0.96 0.00 -0.96 1.57 1.57 -1.16 -0.07 116.57 116.57 2k39 h LYS 27 Ca -0.00 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2k39 h LYS 27 Cb 0.95 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 2k39 h LYS 27 CO 0.00 0.04 0.61 0.00 -0.57 0.00 0.00 179.45 179.53 2k39 h ALA 28 N 1.96 1.91 0.00 3.86 0.00 -1.27 -1.49 119.26 124.23 2k39 h ALA 28 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2k39 h ALA 28 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k39 h ALA 28 CO 0.01 -0.23 -0.47 0.87 0.00 0.00 0.00 179.25 179.42 2k39 h LYS 29 N 0.62 0.00 0.15 0.00 1.57 -1.13 -1.74 116.57 116.03 2k39 h LYS 29 Ca 0.52 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.01 2k39 h LYS 29 Cb 0.99 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.30 2k39 h LYS 29 CO -0.27 0.31 -1.44 0.82 -0.57 0.00 0.00 179.45 178.30 2k39 h ILE 30 N 0.00 1.07 -0.21 1.86 2.04 -1.47 -2.57 117.51 118.23 2k39 h ILE 30 Ca -0.02 -2.46 0.06 0.00 1.00 0.00 0.00 64.86 63.44 2k39 h ILE 30 Cb 1.27 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 40.08 2k39 h ILE 30 CO 0.04 0.75 -0.29 -0.61 0.00 0.00 0.00 178.15 178.05 2k39 h GLN 31 N -0.18 -0.30 -0.65 2.37 4.15 -1.33 -1.13 115.11 118.05 2k39 h GLN 31 Ca -0.29 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.19 2k39 h GLN 31 Cb 1.86 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.57 2k39 h GLN 31 CO 0.11 -0.20 0.38 0.22 -1.93 0.00 0.00 178.83 177.41 2k39 h ASP 32 N -0.31 0.59 0.00 -0.69 3.58 -1.37 -1.60 116.42 116.62 2k39 h ASP 32 Ca 0.12 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k39 h ASP 32 Cb 0.51 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k39 h ASP 32 CO -0.39 0.40 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2k39 n LYS 33 N -4.75 0.00 0.08 0.28 5.02 -0.97 -4.85 118.16 112.97 2k39 n LYS 33 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 2k39 n LYS 33 Cb 0.13 -0.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 2k39 n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2k39 h GLU 34 N 0.00 0.34 0.00 1.97 4.39 -1.28 -3.49 114.58 116.52 2k39 h GLU 34 Ca 0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2k39 h GLU 34 Cb 0.00 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k39 h GLU 34 CO 0.00 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.37 2k39 n GLY 35 N 1.07 1.25 3.76 -3.84 0.00 -0.60 -5.01 105.19 101.81 2k39 n GLY 35 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 4.92 0.38 -0.61 1.01 -1.26 -4.95 121.20 118.69 2k39 s ILE 36 Ca 0.00 1.26 -0.26 0.00 0.00 0.00 0.00 60.65 61.64 2k39 s ILE 36 Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2k39 s ILE 36 CO 0.00 0.40 1.18 -2.84 0.00 0.00 0.00 174.94 173.69 2k39 s PRO 37 N -0.11 4.17 0.62 2.79 0.02 -1.26 -3.52 135.00 137.71 2k39 s PRO 37 Ca 0.31 1.89 0.40 0.00 0.02 0.00 0.00 61.00 63.63 2k39 s PRO 37 Cb -0.18 -2.80 2.01 0.00 0.02 0.00 0.00 34.50 33.55 2k39 s PRO 37 CO 0.17 -0.24 2.22 -1.00 -0.33 0.00 0.00 177.00 177.83 2k39 h PRO 38 N 2.89 0.00 0.00 5.54 0.13 -1.95 0.58 132.00 139.18 2k39 h PRO 38 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k39 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k39 h PRO 38 CO 0.63 0.01 0.00 -3.47 -0.23 0.00 0.00 178.00 174.94 2k39 n ASP 39 N -3.12 0.00 0.00 1.44 2.03 -1.26 -3.40 116.55 112.24 2k39 n ASP 39 Ca -0.02 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k39 n ASP 39 Cb 0.16 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N -1.28 -0.50 -3.96 -0.67 1.13 0.18 -5.06 117.38 107.21 2k39 n GLN 40 Ca 0.09 -0.41 -0.31 0.00 -1.94 0.00 0.00 57.00 54.42 2k39 n GLN 40 Cb 0.14 -0.85 -0.05 0.00 0.11 0.00 0.00 30.24 29.59 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2k39 s GLN 41 N -0.05 3.27 -0.04 -1.09 -0.21 -1.14 -3.20 119.66 117.20 2k39 s GLN 41 Ca 0.00 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 54.91 2k39 s GLN 41 Cb 0.00 -2.96 0.02 0.00 1.00 0.00 0.00 33.01 31.07 2k39 s GLN 41 CO 0.00 0.61 -0.07 1.03 -2.12 0.00 0.00 175.29 174.75 2k39 s ARG 42 N -2.33 1.00 -0.15 2.91 3.00 0.50 -5.00 118.95 118.89 2k39 s ARG 42 Ca 0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 55.73 55.74 2k39 s ARG 42 Cb -0.13 -0.94 -0.05 0.00 0.00 0.00 0.00 34.95 33.84 2k39 s ARG 42 CO 0.24 -0.03 0.20 -0.51 0.00 0.00 0.00 175.30 175.20 2k39 s LEU 43 N 0.72 4.29 0.07 2.53 1.43 -1.26 -0.43 118.68 126.04 2k39 s LEU 43 Ca -0.11 0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2k39 s LEU 43 Cb -0.14 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2k39 s LEU 43 CO 0.01 0.24 -0.19 -0.63 0.23 0.00 0.00 176.35 176.01 2k39 s ILE 44 N -0.15 1.54 -0.26 -0.59 1.09 0.23 -1.38 121.20 121.69 2k39 s ILE 44 Ca 0.14 -1.35 -0.08 0.00 -1.10 0.00 0.00 60.65 58.25 2k39 s ILE 44 Cb -0.12 -1.39 0.12 0.00 -1.06 0.00 0.00 42.46 40.00 2k39 s ILE 44 CO 0.03 -0.00 0.55 0.12 -0.10 0.00 0.00 174.94 175.53 2k39 s PHE 45 N -1.04 -1.13 -0.23 3.97 5.36 -1.02 -1.35 117.98 122.54 2k39 s PHE 45 Ca 0.05 1.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 2k39 s PHE 45 Cb -0.09 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.17 2k39 s PHE 45 CO 0.03 -0.60 0.00 0.00 -1.46 0.00 0.00 175.22 173.18 2k39 n ALA 46 N 5.42 -0.03 0.00 11.12 0.00 -1.26 -2.48 120.51 133.28 2k39 n ALA 46 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k39 n ALA 46 Cb 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.04 1.00 3.79 0.00 0.00 -1.26 -5.08 105.19 101.60 2k39 n GLY 47 Ca -0.02 0.00 -0.36 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 -0.02 3.89 0.18 1.61 -0.14 -1.03 -4.72 119.74 119.51 2k39 s LYS 48 Ca 0.00 -0.17 -0.32 0.00 -1.36 0.00 0.00 55.97 54.12 2k39 s LYS 48 Cb 0.00 -3.33 -0.11 0.00 -1.68 0.00 0.00 37.83 32.72 2k39 s LYS 48 CO 0.00 0.49 1.62 1.14 -0.76 0.00 0.00 175.35 177.84 2k39 s GLN 49 N -0.20 4.18 -0.31 1.68 -2.07 -1.26 -2.44 119.66 119.24 2k39 s GLN 49 Ca 0.11 2.44 -0.29 0.00 -1.82 0.00 0.00 55.36 55.81 2k39 s GLN 49 Cb -0.11 -3.13 -0.01 0.00 -1.09 0.00 0.00 33.01 28.67 2k39 s GLN 49 CO 0.01 -0.66 1.61 -0.51 -1.32 0.00 0.00 175.29 174.42 2k39 s LEU 50 N 1.16 3.67 0.17 2.60 1.02 -0.48 -4.99 118.68 121.83 2k39 s LEU 50 Ca 0.72 1.28 -0.10 0.00 0.02 0.00 0.00 54.13 56.04 2k39 s LEU 50 Cb -0.46 -3.53 -0.07 0.00 0.02 0.00 0.00 46.19 42.15 2k39 s LEU 50 CO 0.31 -1.46 0.50 -0.70 0.02 0.00 0.00 176.35 175.03 2k39 s GLU 51 N 5.07 3.81 0.29 1.70 2.12 -1.26 -4.79 118.70 125.64 2k39 s GLU 51 Ca 0.71 0.26 -0.27 0.00 0.36 0.00 0.00 54.97 56.03 2k39 s GLU 51 Cb -0.21 -2.80 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 2k39 s GLU 51 CO 0.31 0.41 0.95 -0.51 -0.54 0.00 0.00 175.26 175.89 2k39 s ASP 52 N -2.12 7.43 0.00 -1.70 1.11 -1.26 -3.59 116.67 116.54 2k39 s ASP 52 Ca 0.42 1.89 0.00 0.00 0.18 0.00 0.00 52.55 55.04 2k39 s ASP 52 Cb -0.13 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2k39 s ASP 52 CO 0.21 0.00 0.00 0.61 1.18 0.00 0.00 175.17 177.17 2k39 n GLY 53 N 0.90 2.06 3.91 0.21 0.00 -1.26 -5.06 105.19 105.94 2k39 n GLY 53 Ca 0.01 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 1.87 0.26 1.61 0.52 -1.24 -4.82 118.95 117.15 2k39 s ARG 54 Ca 0.00 0.04 0.10 0.00 -0.52 0.00 0.00 55.73 55.35 2k39 s ARG 54 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 2k39 s ARG 54 CO 0.00 -1.64 -0.08 0.95 0.02 0.00 0.00 175.30 174.55 2k39 s THR 55 N -3.58 3.11 0.50 0.02 -4.23 -1.26 -1.97 115.64 108.24 2k39 s THR 55 Ca 0.63 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 59.35 2k39 s THR 55 Cb -0.10 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.39 2k39 s THR 55 CO 0.49 -0.35 2.14 -0.07 -0.54 0.00 0.00 174.62 176.30 2k39 h LEU 56 N 2.14 0.00 -0.22 4.79 3.38 -0.98 -3.02 115.31 121.40 2k39 h LEU 56 Ca -0.43 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.59 2k39 h LEU 56 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2k39 h LEU 56 CO 0.59 0.07 -0.11 -1.28 0.09 0.00 0.00 178.44 177.80 2k39 h SER 57 N 0.00 -0.37 0.00 -0.43 0.87 -1.12 -2.22 113.55 110.28 2k39 h SER 57 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2k39 h SER 57 Cb 0.16 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k39 h SER 57 CO 0.01 -0.15 0.49 0.44 -0.53 0.00 0.00 176.83 177.10 2k39 h ASP 58 N -0.09 0.00 0.00 6.23 3.32 -1.81 -2.03 116.42 122.05 2k39 h ASP 58 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k39 h ASP 58 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2k39 h ASP 58 CO -0.28 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.02 2k39 n TYR 59 N -2.21 0.00 -0.71 4.55 4.02 -1.08 -5.03 117.16 116.70 2k39 n TYR 59 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2k39 n TYR 59 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k39 n ASN 60 N -0.32 -0.40 -4.64 7.72 2.85 -0.76 -5.05 115.26 114.66 2k39 n ASN 60 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2k39 n ASN 60 Cb 0.04 -0.17 -0.06 0.00 1.24 0.00 0.00 39.78 40.82 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -2.06 5.00 0.50 -1.44 1.01 -0.87 -5.02 121.20 118.32 2k39 s ILE 61 Ca 0.00 1.14 0.05 0.00 0.00 0.00 0.00 60.65 61.84 2k39 s ILE 61 Cb 0.00 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2k39 s ILE 61 CO 0.00 0.06 0.24 -1.10 0.00 0.00 0.00 174.94 174.14 2k39 s GLN 62 N 2.29 2.24 -0.26 2.79 -0.21 -1.26 -4.61 119.66 120.64 2k39 s GLN 62 Ca 0.27 -2.06 -0.42 0.00 0.02 0.00 0.00 55.36 53.17 2k39 s GLN 62 Cb -0.16 -1.93 -0.19 0.00 1.00 0.00 0.00 33.01 31.73 2k39 s GLN 62 CO 0.09 -0.42 1.30 1.17 -2.12 0.00 0.00 175.29 175.31 2k39 n LYS 63 N -1.50 0.00 -0.99 2.91 0.00 -1.26 -2.48 118.16 114.84 2k39 n LYS 63 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.25 2k39 n LYS 63 Cb 0.65 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.24 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k39 n GLU 64 N 2.74 0.00 -1.87 1.64 4.07 0.36 -5.00 120.64 122.58 2k39 n GLU 64 Ca 0.25 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.93 2k39 n GLU 64 Cb 0.00 -2.49 -0.02 0.00 -0.06 0.00 0.00 31.44 28.87 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k39 s SER 65 N -2.98 6.48 -0.29 4.31 0.01 -1.03 -4.44 113.70 115.76 2k39 s SER 65 Ca 0.00 2.84 -0.15 0.00 1.31 0.00 0.00 55.95 59.95 2k39 s SER 65 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2k39 s SER 65 CO 0.00 -0.83 0.39 -0.89 0.41 0.00 0.00 173.24 172.32 2k39 s THR 66 N -0.04 5.16 0.31 1.44 2.01 -1.26 -0.81 115.64 122.45 2k39 s THR 66 Ca 0.61 0.46 -0.04 0.00 0.31 0.00 0.00 61.69 63.03 2k39 s THR 66 Cb -0.45 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2k39 s THR 66 CO 0.47 0.07 0.57 -0.76 -0.69 0.00 0.00 174.62 174.28 2k39 s LEU 67 N 2.10 4.02 -0.15 4.42 1.02 0.66 -4.96 118.68 125.79 2k39 s LEU 67 Ca 0.15 0.69 -0.05 0.00 0.02 0.00 0.00 54.13 54.94 2k39 s LEU 67 Cb -0.16 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 2k39 s LEU 67 CO 0.11 -0.24 0.03 -1.00 0.02 0.00 0.00 176.35 175.27 2k39 s HIS 68 N -2.16 3.19 -0.19 0.29 3.76 -0.46 -0.51 115.29 119.22 2k39 s HIS 68 Ca 0.44 0.04 -0.09 0.00 -0.15 0.00 0.00 55.06 55.29 2k39 s HIS 68 Cb -0.10 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2k39 s HIS 68 CO 0.32 0.22 0.10 -1.17 -0.85 0.00 0.00 174.74 173.36 2k39 s LEU 69 N -0.04 4.08 -0.07 0.89 2.96 -0.31 0.76 118.68 126.95 2k39 s LEU 69 Ca 0.04 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2k39 s LEU 69 Cb -0.13 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2k39 s LEU 69 CO 0.02 0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.41 2k39 s VAL 70 N 0.23 1.29 0.24 1.68 1.01 0.43 -3.08 120.40 122.19 2k39 s VAL 70 Ca 0.07 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2k39 s VAL 70 Cb -0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2k39 s VAL 70 CO -0.01 0.39 -0.15 -1.48 0.00 0.00 0.00 175.10 173.85 2k39 s LEU 71 N 0.58 2.56 0.00 3.92 2.34 -1.26 -0.37 118.68 126.45 2k39 s LEU 71 Ca -0.15 -1.05 0.00 0.00 0.06 0.00 0.00 54.13 52.99 2k39 s LEU 71 Cb -0.16 -0.80 0.00 0.00 -0.56 0.00 0.00 46.19 44.68 2k39 s LEU 71 CO 0.05 -0.13 0.00 -1.14 -1.06 0.00 0.00 176.35 174.06 2k39 n ARG 72 N -0.48 0.00 -4.46 1.48 3.00 -1.19 -4.85 116.66 110.16 2k39 n ARG 72 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.56 2k39 n ARG 72 Cb 0.61 -1.00 -0.10 0.00 0.00 0.00 0.00 32.46 31.96 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2k39 s LEU 73 N 0.00 2.09 0.32 6.15 0.05 -1.26 -5.14 118.68 120.90 2k39 s LEU 73 Ca 0.00 -1.45 -0.22 0.00 0.05 0.00 0.00 54.13 52.51 2k39 s LEU 73 Cb 0.00 -0.29 -0.10 0.00 -2.05 0.00 0.00 46.19 43.75 2k39 s LEU 73 CO 0.00 -0.70 0.87 -0.60 -0.55 0.00 0.00 176.35 175.37 2k39 s ARG 74 N -3.86 4.36 -0.05 1.48 3.52 -1.26 -4.84 118.95 118.29 2k39 s ARG 74 Ca 0.33 1.09 -0.01 0.00 -0.13 0.00 0.00 55.73 57.01 2k39 s ARG 74 Cb 0.07 -2.64 0.03 0.00 -1.56 0.00 0.00 34.95 30.85 2k39 s ARG 74 CO 0.15 0.22 0.03 0.20 -0.81 0.00 0.00 175.30 175.09 2k39 s GLY 75 N -1.83 0.33 0.00 8.12 0.00 -1.26 -5.03 107.32 107.66 2k39 s GLY 75 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2k39 s GLY 75 CO 0.20 1.19 0.00 0.61 0.00 0.00 0.00 173.10 175.09