#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 2.67 0.32 2.12 -0.21 -1.26 -3.95 119.66 119.34 2k39 s GLN 2 Ca 0.00 -1.35 0.08 0.00 0.02 0.00 0.00 55.36 54.11 2k39 s GLN 2 Cb 0.00 -2.44 -0.06 0.00 1.00 0.00 0.00 33.01 31.51 2k39 s GLN 2 CO 0.00 0.04 -0.07 0.96 -2.12 0.00 0.00 175.29 174.10 2k39 s ILE 3 N -2.34 1.95 -0.18 1.08 -4.36 0.15 -0.08 121.20 117.41 2k39 s ILE 3 Ca 0.42 -2.16 -0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2k39 s ILE 3 Cb -0.05 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2k39 s ILE 3 CO 0.27 -0.24 -0.07 -0.36 0.24 0.00 0.00 174.94 174.77 2k39 s PHE 4 N -2.81 2.92 -0.82 1.37 0.08 0.24 -1.71 117.98 117.24 2k39 s PHE 4 Ca 0.31 -0.71 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 2k39 s PHE 4 Cb 0.03 -1.98 0.18 0.00 -0.57 0.00 0.00 43.02 40.68 2k39 s PHE 4 CO 0.14 -0.33 0.85 0.08 -0.10 0.00 0.00 175.22 175.86 2k39 s VAL 5 N 0.86 5.29 0.46 -0.44 1.01 0.17 -0.77 120.40 126.99 2k39 s VAL 5 Ca -0.02 -2.06 -0.23 0.00 0.00 0.00 0.00 61.98 59.66 2k39 s VAL 5 Cb -0.15 -4.55 -0.07 0.00 0.00 0.00 0.00 36.38 31.61 2k39 s VAL 5 CO 0.01 -1.16 1.20 -0.75 0.00 0.00 0.00 175.10 174.40 2k39 s LYS 6 N 1.12 3.73 0.28 2.72 2.20 -0.85 -0.40 119.74 128.53 2k39 s LYS 6 Ca 0.21 1.88 -0.15 0.00 -0.36 0.00 0.00 55.97 57.54 2k39 s LYS 6 Cb -0.11 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2k39 s LYS 6 CO -0.07 -0.61 0.59 -0.08 -0.36 0.00 0.00 175.35 174.82 2k39 s THR 7 N -1.47 0.00 -0.11 3.43 -1.32 -1.08 -1.78 115.64 113.31 2k39 s THR 7 Ca 0.63 -1.25 0.30 0.00 -1.21 0.00 0.00 61.69 60.16 2k39 s THR 7 Cb -0.31 -2.24 0.33 0.00 -1.51 0.00 0.00 72.50 68.77 2k39 s THR 7 CO 0.38 0.00 1.88 -0.07 -2.21 0.00 0.00 174.62 174.60 2k39 h LEU 8 N 2.13 0.00 0.00 9.08 3.38 -1.86 -2.74 115.31 125.30 2k39 h LEU 8 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k39 h LEU 8 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k39 h LEU 8 CO 0.32 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.20 2k39 n THR 9 N -2.69 0.46 0.00 0.22 -2.24 -1.26 -4.91 114.28 103.85 2k39 n THR 9 Ca 0.01 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2k39 n THR 9 Cb 0.24 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.57 3.34 3.81 3.38 0.00 -1.03 -5.05 105.19 110.21 2k39 n GLY 10 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.84 3.76 0.09 1.61 2.20 -1.26 -4.92 119.74 120.37 2k39 s LYS 11 Ca 0.00 1.16 0.09 0.00 -0.36 0.00 0.00 55.97 56.86 2k39 s LYS 11 Cb 0.00 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.19 2k39 s LYS 11 CO 0.00 -0.44 -0.24 0.99 -0.36 0.00 0.00 175.35 175.30 2k39 s THR 12 N -2.34 1.93 0.19 3.43 2.01 -1.26 -2.62 115.64 116.97 2k39 s THR 12 Ca 0.63 -1.49 0.11 0.00 0.31 0.00 0.00 61.69 61.24 2k39 s THR 12 Cb -0.13 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2k39 s THR 12 CO 0.27 0.12 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.46 2k39 s ILE 13 N -0.98 2.26 -0.04 1.82 1.01 0.47 -4.97 121.20 120.77 2k39 s ILE 13 Ca 0.10 -2.01 0.04 0.00 0.00 0.00 0.00 60.65 58.77 2k39 s ILE 13 Cb -0.10 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 2k39 s ILE 13 CO 0.04 -0.15 -0.15 0.42 0.00 0.00 0.00 174.94 175.09 2k39 s THR 14 N -1.73 1.28 -0.13 2.92 -4.23 -1.26 0.47 115.64 112.94 2k39 s THR 14 Ca 0.20 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2k39 s THR 14 Cb -0.08 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.70 2k39 s THR 14 CO 0.09 0.37 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.74 2k39 s LEU 15 N 0.03 1.26 -0.47 4.79 1.43 -0.70 -4.97 118.68 120.06 2k39 s LEU 15 Ca -0.03 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 2k39 s LEU 15 Cb -0.10 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.36 2k39 s LEU 15 CO 0.01 -0.17 0.71 -1.61 0.23 0.00 0.00 176.35 175.53 2k39 s GLU 16 N 1.73 3.29 0.09 1.70 8.01 -1.26 -0.68 118.70 131.58 2k39 s GLU 16 Ca 0.03 -0.37 0.00 0.00 0.01 0.00 0.00 54.97 54.64 2k39 s GLU 16 Cb -0.14 -3.98 -0.04 0.00 -4.31 0.00 0.00 34.13 25.66 2k39 s GLU 16 CO -0.08 -1.13 -0.03 0.14 0.01 0.00 0.00 175.26 174.18 2k39 s VAL 17 N 3.05 0.41 0.12 2.63 -7.23 -1.25 -5.04 120.40 113.10 2k39 s VAL 17 Ca 0.24 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.60 2k39 s VAL 17 Cb -0.14 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2k39 s VAL 17 CO 0.19 -0.82 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.37 2k39 s GLU 18 N -3.91 1.13 0.22 4.82 0.41 -1.26 -4.89 118.70 115.23 2k39 s GLU 18 Ca 0.13 -1.23 -0.11 0.00 -0.41 0.00 0.00 54.97 53.35 2k39 s GLU 18 Cb 0.07 -1.25 0.31 0.00 -1.78 0.00 0.00 34.13 31.47 2k39 s GLU 18 CO -0.05 0.27 1.63 -1.35 -0.49 0.00 0.00 175.26 175.28 2k39 h PRO 19 N 3.75 0.05 0.00 0.39 0.11 -1.96 -1.78 132.00 132.56 2k39 h PRO 19 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k39 h PRO 19 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k39 h PRO 19 CO 0.45 0.03 0.00 0.77 -0.21 0.00 0.00 178.00 179.04 2k39 h SER 20 N 0.05 0.00 -2.34 -2.05 0.02 -1.98 -2.79 113.55 104.46 2k39 h SER 20 Ca 0.34 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.75 2k39 h SER 20 Cb 0.56 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.12 2k39 h SER 20 CO -0.64 0.00 1.21 0.47 -1.14 0.00 0.00 176.83 176.73 2k39 n ASP 21 N -2.41 4.09 -4.75 3.07 8.00 -0.67 -4.90 116.55 118.98 2k39 n ASP 21 Ca -0.01 0.92 -0.41 0.00 0.71 0.00 0.00 54.79 55.99 2k39 n ASP 21 Cb 0.07 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 39.64 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 4.25 2.69 0.47 -3.53 -4.23 -1.26 -2.32 115.64 111.70 2k39 s THR 22 Ca 0.89 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 62.12 2k39 s THR 22 Cb -0.46 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.26 2k39 s THR 22 CO 0.43 0.11 2.11 0.40 -0.54 0.00 0.00 174.62 177.13 2k39 h ILE 23 N 3.42 1.04 -1.05 2.99 1.08 -1.90 -1.89 117.51 121.20 2k39 h ILE 23 Ca -0.47 -0.08 0.27 0.00 -0.39 0.00 0.00 64.86 64.20 2k39 h ILE 23 Cb 1.22 0.79 -0.10 0.00 -3.07 0.00 0.00 36.82 35.66 2k39 h ILE 23 CO 0.74 0.04 0.67 1.05 -0.69 0.00 0.00 178.15 179.97 2k39 h GLU 24 N 0.23 0.37 0.21 2.37 4.11 -1.95 -0.43 114.58 119.50 2k39 h GLU 24 Ca 0.06 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.13 2k39 h GLU 24 Cb -0.02 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.16 2k39 h GLU 24 CO -0.01 0.25 -1.60 -0.97 0.07 0.00 0.00 179.01 176.75 2k39 h ASN 25 N 0.39 0.69 -0.20 3.06 -1.24 -1.75 -3.25 115.58 113.28 2k39 h ASN 25 Ca 0.60 -0.86 -0.11 0.00 0.71 0.00 0.00 56.30 56.64 2k39 h ASN 25 Cb 1.54 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.35 2k39 h ASN 25 CO -0.31 1.70 -0.26 0.58 -1.29 0.00 0.00 177.43 177.86 2k39 h VAL 26 N 0.12 1.27 -0.36 2.57 2.07 -1.35 -3.21 116.25 117.37 2k39 h VAL 26 Ca -0.29 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 65.89 2k39 h VAL 26 Cb 2.12 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2k39 h VAL 26 CO 0.22 0.44 0.20 0.11 0.02 0.00 0.00 177.57 178.57 2k39 h LYS 27 N 0.58 0.40 0.00 1.57 1.57 -1.16 -0.97 116.57 118.56 2k39 h LYS 27 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k39 h LYS 27 Cb 0.75 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2k39 h LYS 27 CO 0.06 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2k39 h ALA 28 N 1.16 1.00 -0.02 3.86 0.00 -1.65 -2.35 119.26 121.27 2k39 h ALA 28 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k39 h ALA 28 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k39 h ALA 28 CO -0.07 0.00 -0.01 -0.22 0.00 0.00 0.00 179.25 178.95 2k39 h LYS 29 N 0.00 0.04 -0.42 0.00 1.63 -1.17 -2.85 116.57 113.81 2k39 h LYS 29 Ca 0.00 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.65 2k39 h LYS 29 Cb 0.09 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2k39 h LYS 29 CO 0.00 0.40 -0.25 0.82 -3.45 0.00 0.00 179.45 176.97 2k39 h ILE 30 N -0.32 1.27 0.02 2.00 2.04 -1.38 0.24 117.51 121.39 2k39 h ILE 30 Ca 0.01 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.47 2k39 h ILE 30 Cb 0.39 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2k39 h ILE 30 CO 0.00 0.47 -0.24 -0.61 0.00 0.00 0.00 178.15 177.78 2k39 h GLN 31 N 0.75 -0.30 -1.12 2.37 4.15 -1.54 -0.64 115.11 118.79 2k39 h GLN 31 Ca 0.09 0.02 0.38 0.00 0.77 0.00 0.00 58.65 59.91 2k39 h GLN 31 Cb 0.80 0.07 -0.14 0.00 0.21 0.00 0.00 27.48 28.42 2k39 h GLN 31 CO 0.07 -0.20 0.67 0.22 -1.93 0.00 0.00 178.83 177.66 2k39 h ASP 32 N -0.31 0.38 0.11 -0.69 3.58 -0.99 0.23 116.42 118.73 2k39 h ASP 32 Ca 0.00 0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 2k39 h ASP 32 Cb 0.33 0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.54 2k39 h ASP 32 CO -0.15 -0.19 -0.68 0.11 -2.88 0.00 0.00 179.24 175.46 2k39 h LYS 33 N 0.19 0.24 0.00 0.28 1.79 -1.00 -3.44 116.57 114.62 2k39 h LYS 33 Ca 0.78 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2k39 h LYS 33 Cb 2.08 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.88 2k39 h LYS 33 CO -0.55 1.19 -0.82 -1.91 -1.08 0.00 0.00 179.45 176.29 2k39 n GLU 34 N -4.22 1.20 -1.15 3.15 4.07 -0.25 -5.05 120.64 118.39 2k39 n GLU 34 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 2k39 n GLU 34 Cb 0.76 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 2.06 0.95 3.35 8.31 0.00 0.77 -5.01 105.19 115.63 2k39 n GLY 35 Ca 0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2k39 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k39 s ILE 36 N -2.00 4.29 0.47 -0.61 2.07 -1.26 -4.98 121.20 119.18 2k39 s ILE 36 Ca 0.00 -0.84 -0.19 0.00 -1.41 0.00 0.00 60.65 58.21 2k39 s ILE 36 Cb 0.00 -3.35 -0.09 0.00 0.13 0.00 0.00 42.46 39.15 2k39 s ILE 36 CO 0.00 -0.13 0.98 -2.16 -1.91 0.00 0.00 174.94 171.71 2k39 s PRO 37 N 1.52 4.05 0.36 3.50 0.04 -1.26 -3.60 135.00 139.60 2k39 s PRO 37 Ca 0.02 1.08 0.15 0.00 0.04 0.00 0.00 61.00 62.29 2k39 s PRO 37 Cb -0.19 -2.15 1.04 0.00 0.04 0.00 0.00 34.50 33.24 2k39 s PRO 37 CO 0.05 -0.19 1.73 -1.35 0.04 0.00 0.00 177.00 177.28 2k39 h PRO 38 N 1.45 0.43 0.00 0.56 0.11 -1.95 -0.53 132.00 132.07 2k39 h PRO 38 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k39 h PRO 38 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k39 h PRO 38 CO 0.61 0.28 0.13 -3.47 -0.21 0.00 0.00 178.00 175.34 2k39 n ASP 39 N -4.78 0.37 -0.04 -2.05 -0.08 -1.26 -2.25 116.55 106.46 2k39 n ASP 39 Ca 0.27 0.62 0.02 0.00 -1.51 0.00 0.00 54.79 54.19 2k39 n ASP 39 Cb 0.87 -0.63 -0.01 0.00 2.34 0.00 0.00 41.12 43.70 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k39 n GLN 40 N -2.02 4.21 -3.21 -0.67 6.02 -0.21 -4.97 117.38 116.53 2k39 n GLN 40 Ca -0.01 -0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 2k39 n GLN 40 Cb 0.15 -0.77 -0.06 0.00 1.02 0.00 0.00 30.24 30.58 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -1.07 4.11 -0.09 -1.09 -0.21 -0.95 -4.82 119.66 115.53 2k39 s GLN 41 Ca 0.02 0.68 0.03 0.00 0.02 0.00 0.00 55.36 56.11 2k39 s GLN 41 Cb 0.03 -2.85 0.01 0.00 1.00 0.00 0.00 33.01 31.20 2k39 s GLN 41 CO 0.12 0.40 -0.17 1.03 -2.12 0.00 0.00 175.29 174.55 2k39 s ARG 42 N -2.09 2.32 -0.30 2.91 0.52 -1.26 -5.00 118.95 116.05 2k39 s ARG 42 Ca 0.42 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2k39 s ARG 42 Cb -0.15 -1.87 0.08 0.00 0.52 0.00 0.00 34.95 33.53 2k39 s ARG 42 CO 0.20 0.04 -0.02 -0.51 0.02 0.00 0.00 175.30 175.02 2k39 s LEU 43 N 0.70 4.17 -0.10 2.53 1.02 -1.26 -2.96 118.68 122.77 2k39 s LEU 43 Ca -0.13 -1.81 0.02 0.00 0.02 0.00 0.00 54.13 52.24 2k39 s LEU 43 Cb -0.16 -1.60 -0.01 0.00 0.02 0.00 0.00 46.19 44.44 2k39 s LEU 43 CO 0.03 -0.29 -0.18 -0.63 0.02 0.00 0.00 176.35 175.30 2k39 s ILE 44 N 0.99 2.62 -0.29 -0.59 -1.09 -0.56 -1.80 121.20 120.49 2k39 s ILE 44 Ca 0.02 -0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.57 2k39 s ILE 44 Cb -0.19 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2k39 s ILE 44 CO -0.07 0.55 0.03 0.12 -1.23 0.00 0.00 174.94 174.34 2k39 s PHE 45 N 0.19 3.16 0.00 3.97 5.36 0.26 -0.90 117.98 130.02 2k39 s PHE 45 Ca -0.11 -1.35 0.00 0.00 -0.96 0.00 0.00 56.93 54.52 2k39 s PHE 45 Cb -0.16 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2k39 s PHE 45 CO 0.06 -0.68 0.00 0.00 -1.46 0.00 0.00 175.22 173.14 2k39 n ALA 46 N 4.77 0.00 -0.56 11.12 0.00 -1.26 -1.60 120.51 132.98 2k39 n ALA 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k39 n ALA 46 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -0.14 3.71 0.00 0.00 -1.26 -4.95 105.19 102.55 2k39 n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 4.24 0.23 1.61 1.02 -0.63 -5.08 119.74 121.06 2k39 s LYS 48 Ca 0.00 0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 2k39 s LYS 48 Cb 0.00 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.77 2k39 s LYS 48 CO 0.00 0.17 1.01 -0.65 -0.92 0.00 0.00 175.35 174.96 2k39 s GLN 49 N 0.67 4.74 0.24 1.68 1.11 -1.26 -0.57 119.66 126.26 2k39 s GLN 49 Ca 0.17 1.61 -0.03 0.00 0.01 0.00 0.00 55.36 57.11 2k39 s GLN 49 Cb -0.13 -3.26 -0.05 0.00 -1.01 0.00 0.00 33.01 28.55 2k39 s GLN 49 CO 0.05 0.34 0.47 -0.51 0.01 0.00 0.00 175.29 175.65 2k39 s LEU 50 N -1.02 4.15 0.02 2.90 1.02 -0.74 -4.93 118.68 120.07 2k39 s LEU 50 Ca 0.44 0.58 0.02 0.00 0.02 0.00 0.00 54.13 55.19 2k39 s LEU 50 Cb -0.28 -3.36 -0.01 0.00 0.02 0.00 0.00 46.19 42.55 2k39 s LEU 50 CO 0.35 -0.10 -0.07 -0.70 0.02 0.00 0.00 176.35 175.84 2k39 s GLU 51 N -3.34 0.53 0.48 1.70 2.56 -1.26 -4.77 118.70 114.60 2k39 s GLU 51 Ca 0.41 -0.46 -0.21 0.00 0.00 0.00 0.00 54.97 54.71 2k39 s GLU 51 Cb -0.11 -0.44 -0.10 0.00 2.00 0.00 0.00 34.13 35.48 2k39 s GLU 51 CO 0.29 0.11 0.67 -0.40 -0.56 0.00 0.00 175.26 175.36 2k39 n ASP 52 N 2.29 -0.36 0.00 -1.70 5.75 -1.26 -4.02 116.55 117.25 2k39 n ASP 52 Ca -0.17 0.87 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 2k39 n ASP 52 Cb 0.56 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k39 n GLY 53 N 1.62 1.00 3.18 6.12 0.00 -1.26 -5.09 105.19 110.76 2k39 n GLY 53 Ca 0.11 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.35 0.76 0.49 1.61 0.52 -1.26 -5.12 118.95 115.60 2k39 s ARG 54 Ca 0.00 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 2k39 s ARG 54 Cb 0.00 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.81 2k39 s ARG 54 CO 0.00 -0.22 0.57 0.95 0.02 0.00 0.00 175.30 176.61 2k39 s THR 55 N -3.44 2.44 0.30 0.02 -4.23 -1.26 -3.32 115.64 106.15 2k39 s THR 55 Ca 0.02 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2k39 s THR 55 Cb 0.03 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.45 2k39 s THR 55 CO -0.09 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 175.80 2k39 h LEU 56 N 0.61 0.72 -0.34 4.79 3.38 -1.43 -2.93 115.31 120.12 2k39 h LEU 56 Ca -0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2k39 h LEU 56 Cb 1.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2k39 h LEU 56 CO 0.49 0.68 0.07 -1.28 0.09 0.00 0.00 178.44 178.48 2k39 h SER 57 N 0.77 0.52 -0.56 -0.43 0.87 -1.75 -0.66 113.55 112.30 2k39 h SER 57 Ca 0.18 -0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2k39 h SER 57 Cb 0.21 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 61.96 2k39 h SER 57 CO -0.01 0.64 0.17 0.44 -0.53 0.00 0.00 176.83 177.54 2k39 h ASP 58 N 0.39 0.13 0.81 6.23 3.32 -1.84 -1.89 116.42 123.57 2k39 h ASP 58 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2k39 h ASP 58 Cb 0.33 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k39 h ASP 58 CO 0.00 0.09 0.00 -1.22 -1.72 0.00 0.00 179.24 176.39 2k39 n TYR 59 N -5.05 0.09 -3.09 4.55 4.01 -1.12 -4.92 117.16 111.64 2k39 n TYR 59 Ca 0.07 0.03 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 2k39 n TYR 59 Cb 0.26 -0.55 0.06 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.58 -3.24 -4.83 7.72 5.15 -0.71 -5.04 115.26 112.73 2k39 n ASN 60 Ca 0.05 -0.40 -0.37 0.00 -0.60 0.00 0.00 54.58 53.26 2k39 n ASN 60 Cb 0.27 -3.64 -0.06 0.00 -0.53 0.00 0.00 39.78 35.82 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 -3.24 4.83 0.34 -1.44 1.01 -0.28 -5.03 121.20 117.40 2k39 s ILE 61 Ca 0.16 0.96 0.06 0.00 0.00 0.00 0.00 60.65 61.83 2k39 s ILE 61 Cb -0.07 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2k39 s ILE 61 CO 0.50 0.38 0.22 -1.10 0.00 0.00 0.00 174.94 174.94 2k39 s GLN 62 N -1.59 1.75 -0.29 2.79 -1.52 -1.26 -4.63 119.66 114.91 2k39 s GLN 62 Ca 0.34 -2.03 -0.39 0.00 -1.95 0.00 0.00 55.36 51.33 2k39 s GLN 62 Cb -0.17 0.05 -0.14 0.00 -0.22 0.00 0.00 33.01 32.53 2k39 s GLN 62 CO 0.19 -0.58 1.90 1.63 -0.25 0.00 0.00 175.29 178.18 2k39 n LYS 63 N -0.67 1.17 -1.36 2.91 5.02 -1.26 -2.60 118.16 121.36 2k39 n LYS 63 Ca 0.03 0.40 -0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2k39 n LYS 63 Cb 0.63 -2.22 -0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k39 n GLU 64 N 6.39 -0.02 -2.34 1.97 4.71 0.88 -4.96 120.64 127.27 2k39 n GLU 64 Ca 0.32 0.33 -0.35 0.00 -0.01 0.00 0.00 57.16 57.45 2k39 n GLU 64 Cb 0.16 -3.85 -0.01 0.00 -1.01 0.00 0.00 31.44 26.74 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 -2.99 5.89 -0.18 1.62 0.01 -1.07 -4.82 113.70 112.15 2k39 s SER 65 Ca 0.00 2.11 -0.11 0.00 1.31 0.00 0.00 55.95 59.26 2k39 s SER 65 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2k39 s SER 65 CO 0.00 -1.10 0.18 -0.89 0.41 0.00 0.00 173.24 171.84 2k39 s THR 66 N -1.83 5.38 -0.05 1.44 2.01 -1.26 -0.60 115.64 120.73 2k39 s THR 66 Ca 0.71 0.29 0.01 0.00 0.31 0.00 0.00 61.69 63.01 2k39 s THR 66 Cb -0.22 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2k39 s THR 66 CO 0.25 0.43 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.81 2k39 s LEU 67 N 0.32 3.28 0.31 4.42 2.01 0.05 -4.76 118.68 124.31 2k39 s LEU 67 Ca 0.11 -0.01 0.06 0.00 0.01 0.00 0.00 54.13 54.30 2k39 s LEU 67 Cb -0.12 -1.76 -0.02 0.00 0.01 0.00 0.00 46.19 44.31 2k39 s LEU 67 CO -0.00 0.35 0.42 -2.28 1.01 0.00 0.00 176.35 175.85 2k39 s HIS 68 N -0.88 3.15 -0.02 0.29 2.46 -0.07 -2.01 115.29 118.20 2k39 s HIS 68 Ca 0.14 -0.19 -0.01 0.00 0.47 0.00 0.00 55.06 55.47 2k39 s HIS 68 Cb -0.11 -1.87 0.01 0.00 -0.13 0.00 0.00 32.58 30.48 2k39 s HIS 68 CO 0.03 0.12 0.05 -1.17 -2.47 0.00 0.00 174.74 171.30 2k39 s LEU 69 N -4.11 1.55 -0.28 8.88 2.96 -0.73 -1.50 118.68 125.46 2k39 s LEU 69 Ca 0.42 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.33 2k39 s LEU 69 Cb -0.09 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 2k39 s LEU 69 CO 0.30 -0.05 0.15 -0.69 -1.32 0.00 0.00 176.35 174.74 2k39 s VAL 70 N 0.38 4.88 0.01 1.68 1.01 -1.15 -4.01 120.40 123.19 2k39 s VAL 70 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2k39 s VAL 70 Cb -0.04 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2k39 s VAL 70 CO -0.01 0.22 0.26 -0.22 0.00 0.00 0.00 175.10 175.34 2k39 s LEU 71 N 1.69 4.37 -0.22 3.92 0.20 -1.26 -4.06 118.68 123.32 2k39 s LEU 71 Ca 0.06 0.52 -0.29 0.00 0.69 0.00 0.00 54.13 55.11 2k39 s LEU 71 Cb -0.16 -2.68 -0.00 0.00 -0.43 0.00 0.00 46.19 42.92 2k39 s LEU 71 CO 0.08 0.25 1.16 -0.60 -0.29 0.00 0.00 176.35 176.95 2k39 s ARG 72 N -1.82 4.19 0.64 1.98 3.52 -1.26 -4.94 118.95 121.26 2k39 s ARG 72 Ca 0.28 1.45 -0.09 0.00 -0.13 0.00 0.00 55.73 57.24 2k39 s ARG 72 Cb -0.13 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2k39 s ARG 72 CO 0.17 -0.74 1.00 -0.51 -0.81 0.00 0.00 175.30 174.41 2k39 s LEU 73 N 3.49 3.10 -0.19 -0.88 1.43 -1.26 -5.01 118.68 119.35 2k39 s LEU 73 Ca 0.50 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2k39 s LEU 73 Cb -0.18 -3.82 -0.15 0.00 0.03 0.00 0.00 46.19 42.07 2k39 s LEU 73 CO 0.12 -1.15 -0.13 0.54 0.23 0.00 0.00 176.35 175.96 2k39 n ARG 74 N -2.78 0.72 0.00 1.70 1.74 -1.26 -5.12 116.66 111.66 2k39 n ARG 74 Ca 0.06 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2k39 n ARG 74 Cb 0.57 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 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 2.41 0.37 0.00 -0.13 0.00 -1.26 -5.37 105.19 101.22 2k39 n GLY 75 Ca -0.34 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.44 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93