#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 3.33 0.07 3.17 -0.21 -1.26 -0.60 119.66 124.16 2k39 s GLN 2 Ca 0.00 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.45 2k39 s GLN 2 Cb 0.00 -2.86 -0.00 0.00 1.00 0.00 0.00 33.01 31.15 2k39 s GLN 2 CO 0.00 0.32 0.19 0.96 -2.12 0.00 0.00 175.29 174.63 2k39 s ILE 3 N -2.04 0.13 -0.08 1.08 -4.36 -1.12 -1.64 121.20 113.17 2k39 s ILE 3 Ca 0.37 -1.11 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 2k39 s ILE 3 Cb -0.09 -1.22 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2k39 s ILE 3 CO 0.30 -0.61 -0.00 -0.36 0.24 0.00 0.00 174.94 174.50 2k39 s PHE 4 N -3.48 3.15 -0.19 1.37 0.08 -0.58 -1.56 117.98 116.77 2k39 s PHE 4 Ca 0.02 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.26 2k39 s PHE 4 Cb 0.03 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2k39 s PHE 4 CO -0.09 0.46 -0.17 0.08 -0.10 0.00 0.00 175.22 175.41 2k39 s VAL 5 N -0.90 1.97 -0.34 -0.44 1.01 0.35 -1.08 120.40 120.98 2k39 s VAL 5 Ca 0.14 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2k39 s VAL 5 Cb -0.11 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2k39 s VAL 5 CO 0.03 0.40 1.15 -0.75 0.00 0.00 0.00 175.10 175.93 2k39 s LYS 6 N 1.30 3.96 0.49 2.72 2.47 -0.86 -1.90 119.74 127.92 2k39 s LYS 6 Ca 0.02 1.04 -0.07 0.00 -1.56 0.00 0.00 55.97 55.40 2k39 s LYS 6 Cb -0.14 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.38 2k39 s LYS 6 CO -0.11 -1.05 0.81 0.95 0.16 0.00 0.00 175.35 176.12 2k39 s THR 7 N 4.00 4.87 0.41 3.43 -4.23 -0.70 -1.85 115.64 121.57 2k39 s THR 7 Ca 0.49 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 61.47 2k39 s THR 7 Cb -0.13 -3.85 0.15 0.00 1.34 0.00 0.00 72.50 70.02 2k39 s THR 7 CO 0.20 -0.84 1.93 0.25 -0.54 0.00 0.00 174.62 175.62 2k39 h LEU 8 N 0.30 0.08 0.00 4.79 5.85 -1.89 -1.58 115.31 122.86 2k39 h LEU 8 Ca -0.47 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k39 h LEU 8 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k39 h LEU 8 CO 0.62 0.30 0.00 0.35 -0.34 0.00 0.00 178.44 179.37 2k39 n THR 9 N -4.25 0.00 -1.02 1.05 -2.24 -1.26 -4.92 114.28 101.63 2k39 n THR 9 Ca -0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2k39 n THR 9 Cb 0.29 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.22 0.47 3.65 3.38 0.00 -0.59 -5.00 105.19 107.31 2k39 n GLY 10 Ca 0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.52 4.21 -1.42 1.61 1.02 -1.26 -4.86 119.74 117.53 2k39 s LYS 11 Ca 0.00 0.91 -0.09 0.00 0.02 0.00 0.00 55.97 56.82 2k39 s LYS 11 Cb 0.00 -3.62 0.06 0.00 -0.52 0.00 0.00 37.83 33.75 2k39 s LYS 11 CO 0.00 -0.43 2.41 2.41 -0.92 0.00 0.00 175.35 178.81 2k39 n THR 12 N 5.06 4.55 -1.69 2.17 -1.04 -1.26 -1.72 114.28 120.34 2k39 n THR 12 Ca 0.04 -3.69 -0.54 0.00 -2.04 0.00 0.00 64.05 57.83 2k39 n THR 12 Cb 0.48 -2.36 -0.06 0.00 -1.82 0.00 0.00 70.33 66.57 2k39 n THR 12 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2k39 n ILE 13 N 3.06 0.38 -3.21 12.58 2.08 -0.80 -4.73 119.36 128.72 2k39 n ILE 13 Ca 0.60 -0.07 -0.39 0.00 0.56 0.00 0.00 62.75 63.46 2k39 n ILE 13 Cb 0.29 -1.44 -0.06 0.00 -0.75 0.00 0.00 39.64 37.68 2k39 n ILE 13 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2k39 s THR 14 N 3.51 4.83 -0.02 1.39 2.01 -1.26 -0.49 115.64 125.60 2k39 s THR 14 Ca 0.95 1.27 0.07 0.00 0.31 0.00 0.00 61.69 64.29 2k39 s THR 14 Cb -0.92 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 67.64 2k39 s THR 14 CO 0.59 0.46 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.98 2k39 s LEU 15 N -0.50 2.04 -0.08 4.42 1.43 -0.60 -4.98 118.68 120.41 2k39 s LEU 15 Ca 0.31 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 2k39 s LEU 15 Cb -0.19 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2k39 s LEU 15 CO 0.18 0.29 0.69 -1.61 0.23 0.00 0.00 176.35 176.13 2k39 s GLU 16 N -0.52 4.41 0.03 1.70 8.01 -1.26 -2.79 118.70 128.28 2k39 s GLU 16 Ca 0.08 0.84 -0.01 0.00 0.01 0.00 0.00 54.97 55.89 2k39 s GLU 16 Cb -0.10 -3.46 -0.03 0.00 -4.31 0.00 0.00 34.13 26.24 2k39 s GLU 16 CO -0.01 0.03 -0.00 0.14 0.01 0.00 0.00 175.26 175.43 2k39 s VAL 17 N 0.93 0.15 0.43 2.63 -7.23 0.23 -5.00 120.40 112.55 2k39 s VAL 17 Ca 0.36 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2k39 s VAL 17 Cb -0.17 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 2k39 s VAL 17 CO 0.17 -0.70 0.09 -1.61 -0.31 0.00 0.00 175.10 172.74 2k39 s GLU 18 N -2.55 2.10 0.19 4.82 0.41 -1.26 -0.93 118.70 121.47 2k39 s GLU 18 Ca -0.06 -2.05 0.11 0.00 -0.41 0.00 0.00 54.97 52.56 2k39 s GLU 18 Cb -0.02 -1.77 -0.08 0.00 -1.78 0.00 0.00 34.13 30.48 2k39 s GLU 18 CO -0.05 -0.14 1.36 -1.00 -0.49 0.00 0.00 175.26 174.94 2k39 h PRO 19 N 1.55 0.00 -0.00 0.39 0.13 -1.98 -3.24 132.00 128.84 2k39 h PRO 19 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k39 h PRO 19 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k39 h PRO 19 CO 0.75 0.77 -0.20 0.45 -0.23 0.00 0.00 178.00 179.55 2k39 n SER 20 N -3.29 0.60 -4.68 1.44 2.88 -1.26 -2.81 113.62 106.49 2k39 n SER 20 Ca 0.01 -0.53 -0.48 0.00 -1.33 0.00 0.00 58.87 56.54 2k39 n SER 20 Cb 0.85 -0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.26 2k39 n SER 20 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k39 n ASP 21 N -0.98 3.36 -4.93 -3.46 8.00 -1.23 -4.71 116.55 112.60 2k39 n ASP 21 Ca 0.12 1.00 -0.26 0.00 0.71 0.00 0.00 54.79 56.36 2k39 n ASP 21 Cb 0.31 -1.39 0.07 0.00 -0.02 0.00 0.00 41.12 40.09 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k39 s THR 22 N 3.27 2.35 0.50 -3.53 -4.23 -1.26 -3.08 115.64 109.66 2k39 s THR 22 Ca 0.89 -0.28 0.21 0.00 -1.18 0.00 0.00 61.69 61.34 2k39 s THR 22 Cb -0.69 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.41 2k39 s THR 22 CO 0.48 -0.02 2.12 0.40 -0.54 0.00 0.00 174.62 177.06 2k39 h ILE 23 N -0.55 0.83 -0.34 2.99 2.04 -1.93 -1.69 117.51 118.88 2k39 h ILE 23 Ca -0.44 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2k39 h ILE 23 Cb 1.31 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2k39 h ILE 23 CO 0.60 0.07 -0.12 -0.33 0.00 0.00 0.00 178.15 178.36 2k39 h GLU 24 N 0.00 0.68 -0.90 2.37 4.39 -1.93 0.32 114.58 119.51 2k39 h GLU 24 Ca -0.00 -0.28 0.12 0.00 0.34 0.00 0.00 59.36 59.53 2k39 h GLU 24 Cb 0.14 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 2k39 h GLU 24 CO 0.01 0.87 0.53 -0.91 -1.16 0.00 0.00 179.01 178.34 2k39 h ASN 25 N 0.45 0.74 0.09 1.42 4.21 -1.70 0.03 115.58 120.83 2k39 h ASN 25 Ca 0.08 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 2k39 h ASN 25 Cb 0.64 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2k39 h ASN 25 CO 0.04 0.39 -0.04 0.58 -1.29 0.00 0.00 177.43 177.11 2k39 h VAL 26 N 0.83 1.11 -1.14 2.81 2.07 -1.15 -1.88 116.25 118.91 2k39 h VAL 26 Ca 0.45 -1.34 0.36 0.00 0.82 0.00 0.00 66.70 66.99 2k39 h VAL 26 Cb 0.47 1.89 -0.13 0.00 -1.52 0.00 0.00 31.29 32.00 2k39 h VAL 26 CO -0.28 0.30 0.71 0.11 0.02 0.00 0.00 177.57 178.43 2k39 h LYS 27 N -0.80 0.23 0.04 1.57 1.57 -0.34 0.39 116.57 119.22 2k39 h LYS 27 Ca -0.01 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 2k39 h LYS 27 Cb 0.58 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k39 h LYS 27 CO 0.02 0.15 -1.07 0.00 -0.57 0.00 0.00 179.45 177.99 2k39 h ALA 28 N 1.69 0.19 -0.15 3.86 0.00 -0.96 -2.70 119.26 121.20 2k39 h ALA 28 Ca 0.74 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k39 h ALA 28 Cb 2.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2k39 h ALA 28 CO -0.46 0.76 -0.05 0.87 0.00 0.00 0.00 179.25 180.38 2k39 h LYS 29 N 0.28 -0.02 -0.08 0.00 1.57 -0.15 0.19 116.57 118.37 2k39 h LYS 29 Ca -0.12 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 2k39 h LYS 29 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 2k39 h LYS 29 CO 0.20 -0.01 -0.29 0.82 -0.57 0.00 0.00 179.45 179.59 2k39 h ILE 30 N -0.02 1.24 -0.07 1.86 2.04 -1.05 -0.30 117.51 121.22 2k39 h ILE 30 Ca 0.08 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2k39 h ILE 30 Cb 0.13 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2k39 h ILE 30 CO -0.17 0.34 -0.03 -0.61 0.00 0.00 0.00 178.15 177.68 2k39 h GLN 31 N 0.12 0.14 -0.99 2.37 4.15 -1.11 0.32 115.11 120.11 2k39 h GLN 31 Ca 0.02 -0.06 0.33 0.00 0.77 0.00 0.00 58.65 59.71 2k39 h GLN 31 Cb 0.59 -0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.12 2k39 h GLN 31 CO 0.04 0.51 0.50 0.22 -1.93 0.00 0.00 178.83 178.18 2k39 h ASP 32 N -0.24 0.38 0.11 -0.69 3.58 -0.44 0.37 116.42 119.48 2k39 h ASP 32 Ca 0.01 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2k39 h ASP 32 Cb 0.47 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2k39 h ASP 32 CO 0.01 -0.21 -0.05 0.11 -2.88 0.00 0.00 179.24 176.22 2k39 h LYS 33 N 0.24 -0.14 0.00 0.28 6.56 -0.84 -3.44 116.57 119.23 2k39 h LYS 33 Ca 0.73 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 60.29 2k39 h LYS 33 Cb 1.71 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.39 2k39 h LYS 33 CO -0.66 -0.09 -1.98 0.39 -2.06 0.00 0.00 179.45 175.05 2k39 n GLU 34 N -4.85 0.65 0.00 3.15 -0.58 0.11 -5.03 120.64 114.10 2k39 n GLU 34 Ca -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2k39 n GLU 34 Cb 0.06 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.40 0.87 3.69 0.62 0.00 0.13 -5.02 105.19 106.87 2k39 n GLY 35 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.23 4.51 0.89 -0.61 1.01 -1.26 -4.96 121.20 118.55 2k39 s ILE 36 Ca 0.00 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 2k39 s ILE 36 Cb 0.00 -4.16 0.13 0.00 0.01 0.00 0.00 42.46 38.44 2k39 s ILE 36 CO 0.00 0.03 1.12 -2.16 0.00 0.00 0.00 174.94 173.93 2k39 s PRO 37 N 1.88 1.28 0.38 2.79 0.04 -1.26 -4.20 135.00 135.91 2k39 s PRO 37 Ca 0.53 0.44 0.20 0.00 0.04 0.00 0.00 61.00 62.21 2k39 s PRO 37 Cb -0.22 -1.84 0.36 0.00 0.04 0.00 0.00 34.50 32.83 2k39 s PRO 37 CO 0.22 -2.13 1.59 -1.00 0.04 0.00 0.00 177.00 175.71 2k39 h PRO 38 N -1.46 0.00 0.00 0.56 0.13 -1.96 -2.89 132.00 126.39 2k39 h PRO 38 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2k39 h PRO 38 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k39 h PRO 38 CO 0.60 0.25 -0.03 0.22 -0.23 0.00 0.00 178.00 178.82 2k39 h ASP 39 N 0.00 0.00 1.36 1.44 3.58 -1.98 -3.26 116.42 117.56 2k39 h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 39 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2k39 h ASP 39 CO 0.03 0.03 -0.30 -0.61 -2.88 0.00 0.00 179.24 175.51 2k39 h GLN 40 N 0.00 0.00 -5.62 0.28 5.75 -1.80 -3.46 115.11 110.26 2k39 h GLN 40 Ca -0.00 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.86 2k39 h GLN 40 Cb 0.75 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.22 2k39 h GLN 40 CO 0.00 0.00 -0.43 -0.65 -2.65 0.00 0.00 178.83 175.10 2k39 s GLN 41 N -3.18 3.69 -0.01 1.69 -0.21 -1.23 0.66 119.66 121.07 2k39 s GLN 41 Ca 0.07 -0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.45 2k39 s GLN 41 Cb 0.11 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 2k39 s GLN 41 CO 0.67 0.65 -0.18 1.03 -2.12 0.00 0.00 175.29 175.34 2k39 s ARG 42 N -0.70 2.26 -0.01 2.91 0.52 0.03 -4.90 118.95 119.06 2k39 s ARG 42 Ca 0.15 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2k39 s ARG 42 Cb -0.13 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 2k39 s ARG 42 CO 0.04 0.58 -0.10 -0.48 0.02 0.00 0.00 175.30 175.36 2k39 s LEU 43 N -0.97 1.96 -0.04 2.53 2.34 -1.26 -0.85 118.68 122.39 2k39 s LEU 43 Ca 0.12 -0.19 0.03 0.00 0.06 0.00 0.00 54.13 54.15 2k39 s LEU 43 Cb -0.10 -0.56 0.00 0.00 -0.56 0.00 0.00 46.19 44.97 2k39 s LEU 43 CO 0.02 0.11 -0.13 -0.63 -1.06 0.00 0.00 176.35 174.66 2k39 s ILE 44 N -0.13 1.11 0.47 1.48 1.01 -0.18 -2.18 121.20 122.78 2k39 s ILE 44 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2k39 s ILE 44 Cb -0.05 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.54 2k39 s ILE 44 CO -0.00 0.33 0.64 0.33 0.00 0.00 0.00 174.94 176.24 2k39 n PHE 45 N 3.27 -3.24 -0.01 3.97 7.35 -0.09 -1.75 117.46 126.97 2k39 n PHE 45 Ca -0.19 -1.03 -0.00 0.00 -0.76 0.00 0.00 57.45 55.48 2k39 n PHE 45 Cb 0.53 -0.47 -0.00 0.00 0.35 0.00 0.00 39.48 39.89 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -3.03 -0.01 -1.24 3.13 0.00 -1.26 -2.66 120.51 115.44 2k39 n ALA 46 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k39 n ALA 46 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.01 -1.93 2.85 0.00 0.00 -1.26 -5.11 105.19 98.73 2k39 n GLY 47 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 0.27 1.61 2.20 -1.09 -5.14 119.74 117.61 2k39 s LYS 48 Ca 0.00 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 2k39 s LYS 48 Cb 0.00 -0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.00 2k39 s LYS 48 CO 0.00 -0.17 1.07 -1.14 -0.36 0.00 0.00 175.35 174.75 2k39 s GLN 49 N 1.17 4.68 0.25 4.03 0.74 -1.26 -0.91 119.66 128.36 2k39 s GLN 49 Ca -0.09 1.75 0.02 0.00 0.05 0.00 0.00 55.36 57.09 2k39 s GLN 49 Cb -0.12 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 2k39 s GLN 49 CO -0.05 0.26 0.41 -0.51 -0.55 0.00 0.00 175.29 174.86 2k39 s LEU 50 N -1.35 4.21 -0.12 3.68 1.43 -0.93 -4.90 118.68 120.71 2k39 s LEU 50 Ca 0.44 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 2k39 s LEU 50 Cb -0.31 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 42.87 2k39 s LEU 50 CO 0.39 -0.11 0.31 -0.70 0.23 0.00 0.00 176.35 176.48 2k39 s GLU 51 N -3.80 0.35 0.49 1.70 2.56 -1.26 -4.72 118.70 114.03 2k39 s GLU 51 Ca 0.37 0.45 -0.24 0.00 0.00 0.00 0.00 54.97 55.56 2k39 s GLU 51 Cb -0.10 0.15 -0.07 0.00 2.00 0.00 0.00 34.13 36.11 2k39 s GLU 51 CO 0.31 -0.06 1.38 -0.25 -0.56 0.00 0.00 175.26 176.08 2k39 n ASP 52 N 3.05 2.95 0.00 -1.70 8.00 -1.26 -4.43 116.55 123.16 2k39 n ASP 52 Ca -0.14 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2k39 n ASP 52 Cb 0.57 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k39 n GLY 53 N 0.69 1.43 3.15 0.44 0.00 -1.26 -5.11 105.19 104.53 2k39 n GLY 53 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.22 0.78 0.82 1.61 0.52 -1.26 -5.10 118.95 116.09 2k39 s ARG 54 Ca 0.00 -1.27 -0.08 0.00 -0.52 0.00 0.00 55.73 53.86 2k39 s ARG 54 Cb 0.00 -0.15 0.15 0.00 0.52 0.00 0.00 34.95 35.47 2k39 s ARG 54 CO 0.00 -0.03 1.13 0.95 0.02 0.00 0.00 175.30 177.38 2k39 s THR 55 N -3.50 2.10 0.09 0.02 -4.23 -1.26 -3.69 115.64 105.17 2k39 s THR 55 Ca 0.09 -0.30 -0.21 0.00 -1.18 0.00 0.00 61.69 60.10 2k39 s THR 55 Cb 0.05 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 2k39 s THR 55 CO -0.05 0.00 1.64 -0.07 -0.54 0.00 0.00 174.62 175.60 2k39 h LEU 56 N -1.00 0.22 -1.19 4.79 3.38 -1.49 -3.01 115.31 117.02 2k39 h LEU 56 Ca -0.41 -0.15 0.30 0.00 0.09 0.00 0.00 57.88 57.72 2k39 h LEU 56 Cb 1.26 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 2k39 h LEU 56 CO 0.42 0.31 0.65 -1.28 0.09 0.00 0.00 178.44 178.64 2k39 h SER 57 N 0.12 0.49 0.79 -0.43 0.87 -1.73 -0.89 113.55 112.76 2k39 h SER 57 Ca 0.06 0.13 -0.21 0.00 -1.23 0.00 0.00 61.79 60.54 2k39 h SER 57 Cb 0.15 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2k39 h SER 57 CO -0.01 -0.02 -0.97 0.44 -0.53 0.00 0.00 176.83 175.75 2k39 h ASP 58 N 0.37 0.14 0.01 6.23 3.32 -1.84 -3.04 116.42 121.62 2k39 h ASP 58 Ca 0.68 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2k39 h ASP 58 Cb 1.66 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.16 2k39 h ASP 58 CO -0.44 1.03 -0.10 -1.22 -1.72 0.00 0.00 179.24 176.78 2k39 n TYR 59 N -3.51 0.00 -1.82 4.55 4.01 -0.68 -4.99 117.16 114.72 2k39 n TYR 59 Ca -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2k39 n TYR 59 Cb 0.89 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.90 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 0.46 -1.94 -4.56 7.72 3.02 -0.43 -5.03 115.26 114.51 2k39 n ASN 60 Ca 0.15 0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 2k39 n ASN 60 Cb 0.46 -0.98 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.11 4.83 0.39 2.41 1.01 -1.00 -5.03 121.20 121.69 2k39 s ILE 61 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 2k39 s ILE 61 Cb 0.00 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.16 2k39 s ILE 61 CO 0.00 0.35 0.03 -1.10 0.00 0.00 0.00 174.94 174.22 2k39 s GLN 62 N 1.26 1.87 0.28 2.79 -1.52 -1.26 -4.40 119.66 118.68 2k39 s GLN 62 Ca 0.06 -2.07 -0.30 0.00 -1.95 0.00 0.00 55.36 51.10 2k39 s GLN 62 Cb -0.14 -1.32 -0.12 0.00 -0.22 0.00 0.00 33.01 31.21 2k39 s GLN 62 CO 0.05 -0.14 1.51 1.17 -0.25 0.00 0.00 175.29 177.62 2k39 n LYS 63 N -0.89 2.44 -0.92 2.91 4.81 -1.26 -2.90 118.16 122.35 2k39 n LYS 63 Ca -0.05 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2k39 n LYS 63 Cb 0.67 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 1.89 0.00 -2.20 1.64 4.71 -0.65 -5.02 120.64 121.01 2k39 n GLU 64 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.83 2k39 n GLU 64 Cb 0.35 -2.65 -0.03 0.00 -1.01 0.00 0.00 31.44 28.11 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 -2.28 6.89 -0.21 1.62 0.01 -1.14 -4.84 113.70 113.74 2k39 s SER 65 Ca 0.00 2.58 -0.13 0.00 1.31 0.00 0.00 55.95 59.71 2k39 s SER 65 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2k39 s SER 65 CO 0.00 -0.45 0.28 -0.89 0.41 0.00 0.00 173.24 172.59 2k39 s THR 66 N -1.06 5.28 0.14 1.44 2.01 -1.26 -1.53 115.64 120.66 2k39 s THR 66 Ca 0.48 0.45 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2k39 s THR 66 Cb -0.38 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2k39 s THR 66 CO 0.49 0.31 0.35 -0.76 -0.69 0.00 0.00 174.62 174.33 2k39 s LEU 67 N 1.09 4.28 -0.07 4.42 1.43 -0.24 -4.53 118.68 125.06 2k39 s LEU 67 Ca 0.14 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2k39 s LEU 67 Cb -0.14 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2k39 s LEU 67 CO 0.06 0.06 -0.16 -1.38 0.23 0.00 0.00 176.35 175.16 2k39 s HIS 68 N -1.66 1.74 0.16 0.29 -3.43 -0.72 -2.03 115.29 109.64 2k39 s HIS 68 Ca 0.40 -0.64 -0.21 0.00 -0.80 0.00 0.00 55.06 53.81 2k39 s HIS 68 Cb -0.12 -1.22 -0.08 0.00 -1.43 0.00 0.00 32.58 29.73 2k39 s HIS 68 CO 0.26 -0.29 0.69 -1.17 -2.00 0.00 0.00 174.74 172.23 2k39 s LEU 69 N 0.49 4.48 -0.04 5.38 2.96 -0.77 -1.01 118.68 130.16 2k39 s LEU 69 Ca -0.14 1.43 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 2k39 s LEU 69 Cb -0.16 -3.29 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2k39 s LEU 69 CO 0.05 0.16 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.45 2k39 s VAL 70 N -1.29 0.91 -0.19 1.68 1.01 -0.03 -4.66 120.40 117.84 2k39 s VAL 70 Ca 0.36 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2k39 s VAL 70 Cb -0.19 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2k39 s VAL 70 CO 0.22 0.29 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 2k39 s LEU 71 N 0.44 3.88 -0.98 3.92 1.43 -1.26 -0.79 118.68 125.32 2k39 s LEU 71 Ca -0.08 0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.90 2k39 s LEU 71 Cb -0.12 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.19 2k39 s LEU 71 CO 0.02 0.17 1.34 -0.13 0.23 0.00 0.00 176.35 177.98 2k39 s ARG 72 N 0.40 3.58 -0.05 1.70 0.52 0.21 -4.96 118.95 120.35 2k39 s ARG 72 Ca 0.04 -1.29 -0.09 0.00 -0.52 0.00 0.00 55.73 53.87 2k39 s ARG 72 Cb -0.12 -5.19 -0.05 0.00 0.52 0.00 0.00 34.95 30.11 2k39 s ARG 72 CO -0.00 -2.07 0.25 -0.48 0.02 0.00 0.00 175.30 173.01 2k39 s LEU 73 N 4.30 4.41 -0.03 2.53 0.05 -1.26 -4.76 118.68 123.91 2k39 s LEU 73 Ca 0.42 0.63 0.04 0.00 0.05 0.00 0.00 54.13 55.26 2k39 s LEU 73 Cb -0.02 -2.37 -0.03 0.00 -2.05 0.00 0.00 46.19 41.73 2k39 s LEU 73 CO -0.09 0.35 -0.12 -0.13 -0.55 0.00 0.00 176.35 175.80 2k39 s ARG 74 N -1.23 2.49 0.00 1.48 0.52 -1.26 -5.04 118.95 115.91 2k39 s ARG 74 Ca 0.21 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2k39 s ARG 74 Cb -0.14 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.93 2k39 s ARG 74 CO 0.10 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.44 2k39 n GLY 75 N 2.06 0.65 0.00 -3.53 0.00 -1.26 -5.34 105.19 97.77 2k39 n GLY 75 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93