#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 4.42 -0.03 2.12 -0.21 -1.26 -1.10 119.66 123.59 2k39 s GLN 2 Ca 0.00 0.85 0.02 0.00 0.02 0.00 0.00 55.36 56.25 2k39 s GLN 2 Cb 0.00 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 2k39 s GLN 2 CO 0.00 0.18 -0.07 0.96 -2.12 0.00 0.00 175.29 174.24 2k39 s ILE 3 N 0.42 3.68 -0.09 1.08 -4.36 -1.19 -1.59 121.20 119.14 2k39 s ILE 3 Ca 0.36 -0.63 -0.22 0.00 -0.26 0.00 0.00 60.65 59.89 2k39 s ILE 3 Cb -0.18 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 2k39 s ILE 3 CO 0.18 0.49 0.63 -0.36 0.24 0.00 0.00 174.94 176.13 2k39 s PHE 4 N -0.91 3.55 -0.33 1.37 0.08 -0.80 -2.61 117.98 118.33 2k39 s PHE 4 Ca 0.15 1.13 -0.12 0.00 0.12 0.00 0.00 56.93 58.21 2k39 s PHE 4 Cb -0.11 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.59 2k39 s PHE 4 CO 0.05 0.10 0.21 0.08 -0.10 0.00 0.00 175.22 175.56 2k39 s VAL 5 N 0.79 5.10 -0.10 -0.44 1.01 -0.03 -0.55 120.40 126.18 2k39 s VAL 5 Ca 0.34 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2k39 s VAL 5 Cb -0.17 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2k39 s VAL 5 CO 0.15 0.02 1.68 -0.75 0.00 0.00 0.00 175.10 176.21 2k39 s LYS 6 N 1.69 4.03 0.57 2.72 2.20 0.10 -0.64 119.74 130.42 2k39 s LYS 6 Ca 0.06 2.06 -0.06 0.00 -0.36 0.00 0.00 55.97 57.67 2k39 s LYS 6 Cb -0.17 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.12 2k39 s LYS 6 CO 0.09 -1.03 0.88 0.95 -0.36 0.00 0.00 175.35 175.88 2k39 s THR 7 N 4.56 3.88 -0.46 3.43 -4.23 -1.25 -2.25 115.64 119.32 2k39 s THR 7 Ca 0.75 0.03 0.24 0.00 -1.18 0.00 0.00 61.69 61.52 2k39 s THR 7 Cb -0.31 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.17 2k39 s THR 7 CO 0.30 -0.53 1.40 -0.07 -0.54 0.00 0.00 174.62 175.18 2k39 h LEU 8 N -0.09 0.00 -1.01 4.79 4.07 -1.93 -3.29 115.31 117.85 2k39 h LEU 8 Ca -0.46 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.41 2k39 h LEU 8 Cb 1.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 2k39 h LEU 8 CO 0.61 0.02 0.12 0.71 -1.08 0.00 0.00 178.44 178.82 2k39 h THR 9 N 0.00 1.23 0.00 0.22 1.35 -1.99 -3.50 112.91 110.22 2k39 h THR 9 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2k39 h THR 9 Cb 0.91 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2k39 h THR 9 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2k39 n GLY 10 N -0.83 0.89 7.00 5.82 0.00 -1.24 -5.17 105.19 111.66 2k39 n GLY 10 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2k39 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k39 n LYS 11 N 0.00 0.00 -4.28 1.61 5.02 -1.26 -3.85 118.16 115.40 2k39 n LYS 11 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2k39 n LYS 11 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2k39 n LYS 11 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2k39 s THR 12 N 0.00 1.45 -0.15 -0.18 -4.23 -1.26 -3.75 115.64 107.52 2k39 s THR 12 Ca 0.00 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 2k39 s THR 12 Cb 0.00 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 2k39 s THR 12 CO 0.00 -0.55 0.31 -0.63 -0.54 0.00 0.00 174.62 173.21 2k39 s ILE 13 N -2.70 5.29 -0.26 2.99 -1.09 0.19 -4.93 121.20 120.69 2k39 s ILE 13 Ca 0.16 0.59 -0.16 0.00 -2.23 0.00 0.00 60.65 59.01 2k39 s ILE 13 Cb -0.02 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2k39 s ILE 13 CO 0.04 0.40 0.42 -0.89 -1.23 0.00 0.00 174.94 173.68 2k39 s THR 14 N 0.36 5.15 -0.04 2.92 2.01 -1.26 -0.85 115.64 123.93 2k39 s THR 14 Ca 0.18 0.68 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 2k39 s THR 14 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2k39 s THR 14 CO 0.05 0.15 0.17 -0.22 -0.69 0.00 0.00 174.62 174.08 2k39 s LEU 15 N 2.04 4.36 0.03 4.42 2.96 -1.07 -5.00 118.68 126.41 2k39 s LEU 15 Ca 0.17 0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 54.31 2k39 s LEU 15 Cb -0.16 -2.46 -0.06 0.00 0.50 0.00 0.00 46.19 44.01 2k39 s LEU 15 CO 0.09 0.30 0.43 -1.61 -1.32 0.00 0.00 176.35 174.24 2k39 s GLU 16 N -1.70 3.92 0.03 1.98 0.41 -1.26 -3.17 118.70 118.91 2k39 s GLU 16 Ca 0.24 0.40 -0.19 0.00 -0.41 0.00 0.00 54.97 55.02 2k39 s GLU 16 Cb -0.12 -3.16 0.04 0.00 -1.78 0.00 0.00 34.13 29.10 2k39 s GLU 16 CO 0.15 0.65 0.42 0.14 -0.49 0.00 0.00 175.26 176.13 2k39 s VAL 17 N -1.16 0.05 0.37 2.63 -7.23 -0.26 -4.96 120.40 109.84 2k39 s VAL 17 Ca 0.27 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 59.96 2k39 s VAL 17 Cb -0.16 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2k39 s VAL 17 CO 0.15 -0.24 0.65 -1.61 -0.31 0.00 0.00 175.10 173.74 2k39 s GLU 18 N -2.29 3.61 0.00 4.82 0.41 -1.26 0.22 118.70 124.21 2k39 s GLU 18 Ca -0.06 0.07 0.30 0.00 -0.41 0.00 0.00 54.97 54.87 2k39 s GLU 18 Cb -0.01 -2.54 1.59 0.00 -1.78 0.00 0.00 34.13 31.39 2k39 s GLU 18 CO -0.01 0.06 2.08 -0.35 -0.49 0.00 0.00 175.26 176.55 2k39 n PRO 19 N -1.48 0.56 -0.25 0.39 -0.04 -1.26 -2.40 135.00 130.52 2k39 n PRO 19 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2k39 n PRO 19 Cb 0.55 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k39 n SER 20 N -1.22 3.32 -4.87 3.54 3.41 -1.26 0.18 113.62 116.72 2k39 n SER 20 Ca 0.16 -1.97 -0.31 0.00 -0.26 0.00 0.00 58.87 56.50 2k39 n SER 20 Cb 0.21 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.25 6.36 0.45 4.04 1.01 -1.01 -4.85 116.67 121.42 2k39 s ASP 21 Ca 0.41 1.33 -0.02 0.00 0.71 0.00 0.00 52.55 54.98 2k39 s ASP 21 Cb 0.22 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 2k39 s ASP 21 CO 0.30 -0.70 0.71 0.42 0.21 0.00 0.00 175.17 176.11 2k39 s THR 22 N -2.88 4.52 0.16 -1.27 -4.23 -1.26 -2.32 115.64 108.36 2k39 s THR 22 Ca 0.54 -0.21 0.34 0.00 -1.18 0.00 0.00 61.69 61.18 2k39 s THR 22 Cb -0.11 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.43 2k39 s THR 22 CO 0.45 -0.57 2.01 0.40 -0.54 0.00 0.00 174.62 176.37 2k39 h ILE 23 N 0.36 0.05 0.00 2.99 2.04 -1.91 -0.27 117.51 120.77 2k39 h ILE 23 Ca -0.47 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 2k39 h ILE 23 Cb 1.23 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2k39 h ILE 23 CO 0.60 0.02 -0.25 -0.08 0.00 0.00 0.00 178.15 178.44 2k39 h GLU 24 N 0.00 0.00 -0.13 2.37 4.57 -1.95 0.08 114.58 119.53 2k39 h GLU 24 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 2k39 h GLU 24 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2k39 h GLU 24 CO 0.00 0.25 -0.60 -0.97 -1.18 0.00 0.00 179.01 176.51 2k39 h ASN 25 N 0.00 0.48 0.37 1.04 -1.24 -1.43 -2.73 115.58 112.08 2k39 h ASN 25 Ca -0.00 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.71 2k39 h ASN 25 Cb 0.60 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2k39 h ASN 25 CO 0.03 0.97 -0.18 0.58 -1.29 0.00 0.00 177.43 177.55 2k39 h VAL 26 N 0.32 0.64 -0.55 2.57 2.07 -1.23 -3.02 116.25 117.04 2k39 h VAL 26 Ca -0.00 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.30 2k39 h VAL 26 Cb 1.14 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 2k39 h VAL 26 CO 0.10 0.06 -0.18 0.11 0.02 0.00 0.00 177.57 177.69 2k39 h LYS 27 N -0.68 -0.05 0.00 1.57 1.57 -1.07 -1.52 116.57 116.39 2k39 h LYS 27 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 27 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2k39 h LYS 27 CO 0.08 -0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 2k39 n ALA 28 N -3.00 2.20 0.09 3.86 0.00 -1.03 0.13 120.51 122.77 2k39 n ALA 28 Ca 0.05 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2k39 n ALA 28 Cb 0.31 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 2k39 n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k39 h LYS 29 N 0.00 0.27 -0.24 0.00 1.57 -1.27 -2.04 116.57 114.85 2k39 h LYS 29 Ca 0.00 -0.45 -0.09 0.00 -1.87 0.00 0.00 60.65 58.24 2k39 h LYS 29 Cb 0.51 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k39 h LYS 29 CO 0.00 1.18 -0.19 0.82 -0.57 0.00 0.00 179.45 180.69 2k39 h ILE 30 N 0.07 1.31 -0.42 1.86 2.04 -0.83 -2.71 117.51 118.83 2k39 h ILE 30 Ca -0.18 -1.32 -0.15 0.00 1.00 0.00 0.00 64.86 64.21 2k39 h ILE 30 Cb 1.99 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 2k39 h ILE 30 CO 0.19 0.41 -0.33 -0.61 0.00 0.00 0.00 178.15 177.81 2k39 h GLN 31 N 0.26 0.96 -0.42 2.37 4.15 0.10 0.72 115.11 123.26 2k39 h GLN 31 Ca 0.04 -0.48 0.08 0.00 0.77 0.00 0.00 58.65 59.07 2k39 h GLN 31 Cb 0.72 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 2k39 h GLN 31 CO 0.05 1.14 -0.06 0.22 -1.93 0.00 0.00 178.83 178.25 2k39 h ASP 32 N 0.80 -0.30 0.16 -0.69 3.58 -1.47 0.54 116.42 119.05 2k39 h ASP 32 Ca 0.08 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2k39 h ASP 32 Cb 0.92 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2k39 h ASP 32 CO 0.09 -0.10 -0.08 0.11 -2.88 0.00 0.00 179.24 176.38 2k39 h LYS 33 N 0.05 -0.21 0.00 0.28 1.57 -1.04 -3.41 116.57 113.81 2k39 h LYS 33 Ca 0.21 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k39 h LYS 33 Cb 0.31 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2k39 h LYS 33 CO -0.40 0.03 -0.63 0.39 -0.57 0.00 0.00 179.45 178.27 2k39 n GLU 34 N -4.91 3.33 -0.18 3.15 -0.58 0.18 -5.02 120.64 116.61 2k39 n GLU 34 Ca -0.05 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2k39 n GLU 34 Cb 0.17 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 1.43 0.64 3.73 0.62 0.00 0.19 -4.98 105.19 106.82 2k39 n GLY 35 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.30 3.86 0.45 -0.61 -1.09 -1.26 -4.97 121.20 115.28 2k39 s ILE 36 Ca 0.00 1.50 -0.24 0.00 -2.23 0.00 0.00 60.65 59.68 2k39 s ILE 36 Cb 0.00 -3.96 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 2k39 s ILE 36 CO 0.00 0.21 1.24 -2.16 -1.23 0.00 0.00 174.94 173.00 2k39 s PRO 37 N 0.12 3.76 0.36 2.79 0.04 -1.26 -4.43 135.00 136.38 2k39 s PRO 37 Ca 0.53 1.99 0.19 0.00 0.04 0.00 0.00 61.00 63.75 2k39 s PRO 37 Cb -0.30 -2.53 0.57 0.00 0.04 0.00 0.00 34.50 32.27 2k39 s PRO 37 CO 0.34 -0.61 1.68 -1.00 0.04 0.00 0.00 177.00 177.44 2k39 h PRO 38 N 2.23 0.00 0.00 0.56 0.13 -1.94 -2.24 132.00 130.74 2k39 h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 38 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k39 h PRO 38 CO 0.61 0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 178.35 2k39 n ASP 39 N -3.41 0.33 -0.00 1.44 5.75 -1.26 -2.24 116.55 117.15 2k39 n ASP 39 Ca 0.00 0.55 0.08 0.00 -0.01 0.00 0.00 54.79 55.41 2k39 n ASP 39 Cb 0.55 -0.63 -0.11 0.00 -1.03 0.00 0.00 41.12 39.90 2k39 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2k39 n GLN 40 N -1.83 1.04 -2.69 0.11 -0.06 -0.86 -4.89 117.38 108.20 2k39 n GLN 40 Ca 0.05 -0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.55 2k39 n GLN 40 Cb 0.32 -1.34 -0.03 0.00 -4.06 0.00 0.00 30.24 25.13 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 -2.86 3.35 -0.87 3.69 -0.21 -0.95 -4.47 119.66 117.34 2k39 s GLN 41 Ca -0.00 -0.89 -0.20 0.00 0.02 0.00 0.00 55.36 54.29 2k39 s GLN 41 Cb 0.12 -4.65 0.10 0.00 1.00 0.00 0.00 33.01 29.58 2k39 s GLN 41 CO 0.69 -2.02 1.12 1.03 -2.12 0.00 0.00 175.29 173.99 2k39 s ARG 42 N 4.61 3.46 -0.06 2.91 0.52 -0.53 -4.94 118.95 124.92 2k39 s ARG 42 Ca 0.35 -1.42 -0.23 0.00 -0.52 0.00 0.00 55.73 53.90 2k39 s ARG 42 Cb -0.07 -4.78 -0.04 0.00 0.52 0.00 0.00 34.95 30.58 2k39 s ARG 42 CO 0.03 -1.84 0.70 -0.51 0.02 0.00 0.00 175.30 173.69 2k39 s LEU 43 N 3.36 4.33 0.01 2.53 1.43 -1.26 -2.36 118.68 126.72 2k39 s LEU 43 Ca 0.31 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2k39 s LEU 43 Cb -0.07 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2k39 s LEU 43 CO -0.04 -0.10 -0.19 -0.63 0.23 0.00 0.00 176.35 175.62 2k39 s ILE 44 N 0.73 2.71 -0.07 -0.59 1.01 0.03 -2.48 121.20 122.55 2k39 s ILE 44 Ca 0.37 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 2k39 s ILE 44 Cb -0.18 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.23 2k39 s ILE 44 CO 0.18 0.42 0.17 0.12 0.00 0.00 0.00 174.94 175.84 2k39 s PHE 45 N -0.84 -0.20 -1.12 3.97 5.36 -0.86 -1.69 117.98 122.60 2k39 s PHE 45 Ca 0.13 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 2k39 s PHE 45 Cb -0.10 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2k39 s PHE 45 CO 0.03 -0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.61 2k39 n ALA 46 N 4.23 -0.16 0.00 11.12 0.00 -1.26 -1.59 120.51 132.85 2k39 n ALA 46 Ca -0.26 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k39 n ALA 46 Cb 0.52 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.16 1.76 3.70 0.00 0.00 -1.26 -5.09 105.19 104.45 2k39 n GLY 47 Ca -0.11 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2k39 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 48 N 0.00 4.27 -0.59 1.61 2.20 -0.62 -5.02 119.74 121.59 2k39 s LYS 48 Ca 0.00 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.73 2k39 s LYS 48 Cb 0.00 -3.48 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2k39 s LYS 48 CO 0.00 0.06 1.10 -1.14 -0.36 0.00 0.00 175.35 175.01 2k39 s GLN 49 N 0.96 3.39 -0.01 4.03 -0.44 -1.26 -2.03 119.66 124.29 2k39 s GLN 49 Ca 0.24 -0.06 -0.30 0.00 -2.50 0.00 0.00 55.36 52.74 2k39 s GLN 49 Cb -0.15 -4.06 -0.05 0.00 -1.64 0.00 0.00 33.01 27.11 2k39 s GLN 49 CO 0.09 -1.67 1.35 -0.51 0.50 0.00 0.00 175.29 175.05 2k39 s LEU 50 N 4.63 4.31 0.72 3.68 1.43 -1.03 -4.96 118.68 127.45 2k39 s LEU 50 Ca 0.36 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 2k39 s LEU 50 Cb -0.10 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2k39 s LEU 50 CO 0.21 -0.69 1.07 -1.61 0.23 0.00 0.00 176.35 175.56 2k39 s GLU 51 N 2.35 2.74 0.55 1.70 8.01 -1.26 -4.94 118.70 127.85 2k39 s GLU 51 Ca 0.62 0.83 -0.16 0.00 0.01 0.00 0.00 54.97 56.26 2k39 s GLU 51 Cb -0.30 -1.98 -0.06 0.00 -4.31 0.00 0.00 34.13 27.48 2k39 s GLU 51 CO 0.25 -1.21 1.01 0.34 0.01 0.00 0.00 175.26 175.67 2k39 s ASP 52 N -3.88 6.31 0.00 -0.19 2.15 -1.26 -4.68 116.67 115.12 2k39 s ASP 52 Ca 0.59 1.65 0.00 0.00 0.43 0.00 0.00 52.55 55.22 2k39 s ASP 52 Cb -0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2k39 s ASP 52 CO 0.55 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2k39 n GLY 53 N -1.41 0.94 3.27 2.66 0.00 -1.26 -5.10 105.19 104.29 2k39 n GLY 53 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.31 1.29 0.48 1.61 0.52 -1.26 -5.16 118.95 116.12 2k39 s ARG 54 Ca 0.00 -1.68 0.07 0.00 -0.52 0.00 0.00 55.73 53.60 2k39 s ARG 54 Cb 0.00 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.37 2k39 s ARG 54 CO 0.00 -0.29 0.42 0.95 0.02 0.00 0.00 175.30 176.40 2k39 s THR 55 N -3.85 2.25 -0.38 0.02 -4.23 -1.26 -4.38 115.64 103.81 2k39 s THR 55 Ca 0.35 -1.37 0.26 0.00 -1.18 0.00 0.00 61.69 59.75 2k39 s THR 55 Cb 0.07 -2.62 0.33 0.00 1.34 0.00 0.00 72.50 71.62 2k39 s THR 55 CO 0.11 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.87 2k39 h LEU 56 N 0.86 0.00 -0.26 4.79 3.38 -0.59 -1.11 115.31 122.38 2k39 h LEU 56 Ca -0.39 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 2k39 h LEU 56 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2k39 h LEU 56 CO 0.56 0.00 -0.89 -1.28 0.09 0.00 0.00 178.44 176.92 2k39 h SER 57 N 0.00 0.12 0.08 -0.43 0.87 -0.54 -1.29 113.55 112.36 2k39 h SER 57 Ca 0.00 -0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.28 2k39 h SER 57 Cb 0.76 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2k39 h SER 57 CO 0.00 0.94 -0.75 0.44 -0.53 0.00 0.00 176.83 176.93 2k39 h ASP 58 N 0.04 0.51 0.00 6.23 3.32 -1.49 -2.77 116.42 122.26 2k39 h ASP 58 Ca -0.03 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.15 2k39 h ASP 58 Cb 1.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2k39 h ASP 58 CO 0.12 1.33 0.00 -1.22 -1.72 0.00 0.00 179.24 177.76 2k39 n TYR 59 N -4.15 0.00 -0.91 4.55 4.01 -0.81 -4.93 117.16 114.92 2k39 n TYR 59 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2k39 n TYR 59 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N -0.90 -2.28 -4.71 7.72 5.15 -0.90 -4.96 115.26 114.37 2k39 n ASN 60 Ca 0.12 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.68 2k39 n ASN 60 Cb 0.06 -1.36 -0.03 0.00 -0.53 0.00 0.00 39.78 37.92 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k39 s ILE 61 N -2.16 3.53 0.36 -1.44 1.01 -0.54 -4.98 121.20 116.99 2k39 s ILE 61 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.81 2k39 s ILE 61 Cb 0.00 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2k39 s ILE 61 CO 0.00 0.08 0.40 -1.10 0.00 0.00 0.00 174.94 174.31 2k39 s GLN 62 N 1.20 2.82 -0.29 2.79 -1.52 -1.26 -4.67 119.66 118.73 2k39 s GLN 62 Ca 0.63 -1.25 -0.43 0.00 -1.95 0.00 0.00 55.36 52.36 2k39 s GLN 62 Cb -0.34 -2.60 -0.19 0.00 -0.22 0.00 0.00 33.01 29.66 2k39 s GLN 62 CO 0.30 -0.01 1.50 1.17 -0.25 0.00 0.00 175.29 177.99 2k39 n LYS 63 N -1.54 0.38 -0.72 2.91 4.81 -1.26 -2.91 118.16 119.83 2k39 n LYS 63 Ca 0.01 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2k39 n LYS 63 Cb 0.59 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 3.65 0.00 -2.00 1.64 4.71 -0.62 -5.01 120.64 123.01 2k39 n GLU 64 Ca 0.26 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 57.00 2k39 n GLU 64 Cb 0.04 -2.09 -0.02 0.00 -1.01 0.00 0.00 31.44 28.36 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 -2.17 6.63 -0.48 1.62 0.01 -1.15 -4.63 113.70 113.53 2k39 s SER 65 Ca 0.00 2.76 -0.19 0.00 1.31 0.00 0.00 55.95 59.82 2k39 s SER 65 Cb 0.00 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.63 2k39 s SER 65 CO 0.00 -0.68 0.61 -0.89 0.41 0.00 0.00 173.24 172.69 2k39 s THR 66 N -0.62 4.88 0.06 1.44 2.01 -1.26 -1.90 115.64 120.25 2k39 s THR 66 Ca 0.54 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 2k39 s THR 66 Cb -0.42 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 2k39 s THR 66 CO 0.50 -0.70 0.24 -0.76 -0.69 0.00 0.00 174.62 173.21 2k39 s LEU 67 N 2.64 4.35 0.04 4.42 1.02 0.28 -4.92 118.68 126.51 2k39 s LEU 67 Ca 0.17 0.37 -0.15 0.00 0.02 0.00 0.00 54.13 54.54 2k39 s LEU 67 Cb -0.17 -2.94 -0.06 0.00 0.02 0.00 0.00 46.19 43.04 2k39 s LEU 67 CO 0.14 0.17 0.45 -1.00 0.02 0.00 0.00 176.35 176.13 2k39 s HIS 68 N -1.49 3.71 -0.15 0.29 3.76 -0.68 0.01 115.29 120.74 2k39 s HIS 68 Ca 0.34 1.01 -0.04 0.00 -0.15 0.00 0.00 55.06 56.22 2k39 s HIS 68 Cb -0.13 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 2k39 s HIS 68 CO 0.25 0.60 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.55 2k39 s LEU 69 N -1.29 3.40 -0.01 0.89 2.96 -0.95 -0.79 118.68 122.89 2k39 s LEU 69 Ca 0.27 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2k39 s LEU 69 Cb -0.17 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2k39 s LEU 69 CO 0.15 0.20 -0.09 0.68 -1.32 0.00 0.00 176.35 175.97 2k39 s VAL 70 N 0.19 0.75 0.08 1.68 -7.23 -0.99 -4.59 120.40 110.28 2k39 s VAL 70 Ca -0.00 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 2k39 s VAL 70 Cb -0.13 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 2k39 s VAL 70 CO 0.02 0.22 0.15 -0.76 -0.31 0.00 0.00 175.10 174.42 2k39 s LEU 71 N -0.18 4.08 -0.71 1.32 1.43 -1.26 -1.45 118.68 121.91 2k39 s LEU 71 Ca 0.03 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2k39 s LEU 71 Cb -0.04 -2.72 0.19 0.00 0.03 0.00 0.00 46.19 43.65 2k39 s LEU 71 CO -0.00 0.16 0.57 -1.14 0.23 0.00 0.00 176.35 176.17 2k39 n ARG 72 N 0.31 2.05 0.14 1.70 0.63 -1.26 -5.00 116.66 115.23 2k39 n ARG 72 Ca -0.07 -4.54 0.01 0.00 -0.92 0.00 0.00 57.85 52.33 2k39 n ARG 72 Cb 0.52 -2.29 0.11 0.00 0.45 0.00 0.00 32.46 31.25 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2k39 h LEU 73 N 5.13 0.00 0.00 6.15 3.38 -1.98 -3.31 115.31 124.69 2k39 h LEU 73 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2k39 h LEU 73 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2k39 h LEU 73 CO 0.76 0.59 -0.75 0.54 0.09 0.00 0.00 178.44 179.66 2k39 n ARG 74 N -3.42 0.48 0.00 1.13 1.74 -1.26 -5.12 116.66 110.21 2k39 n ARG 74 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2k39 n ARG 74 Cb 0.69 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.56 0.69 0.00 -0.13 0.00 -1.25 -5.33 105.19 100.73 2k39 n GLY 75 Ca -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93