#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 4.47 -0.06 3.17 -0.21 -1.26 -1.50 119.66 124.27 2k39 s GLN 2 Ca 0.00 1.26 -0.02 0.00 0.02 0.00 0.00 55.36 56.62 2k39 s GLN 2 Cb 0.00 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.45 2k39 s GLN 2 CO 0.00 0.18 0.12 0.96 -2.12 0.00 0.00 175.29 174.43 2k39 s ILE 3 N -1.80 -0.07 -1.09 1.08 -4.36 -0.27 -0.58 121.20 114.10 2k39 s ILE 3 Ca 0.54 0.21 -0.04 0.00 -0.26 0.00 0.00 60.65 61.11 2k39 s ILE 3 Cb -0.15 -0.21 0.29 0.00 1.25 0.00 0.00 42.46 43.64 2k39 s ILE 3 CO 0.20 0.09 1.64 0.49 0.24 0.00 0.00 174.94 177.60 2k39 n PHE 4 N 4.34 2.42 -1.77 1.37 3.01 0.39 -1.58 117.46 125.65 2k39 n PHE 4 Ca -0.24 -2.59 -0.43 0.00 1.01 0.00 0.00 57.45 55.20 2k39 n PHE 4 Cb 0.51 -1.32 -0.03 0.00 -0.01 0.00 0.00 39.48 38.64 2k39 n PHE 4 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k39 s VAL 5 N -2.88 3.20 -0.11 -4.37 1.01 -1.26 -3.40 120.40 112.59 2k39 s VAL 5 Ca 0.35 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 2k39 s VAL 5 Cb 0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2k39 s VAL 5 CO 0.03 -0.10 0.09 -0.75 0.00 0.00 0.00 175.10 174.37 2k39 s LYS 6 N 5.43 3.28 0.41 2.72 2.47 -0.70 -1.00 119.74 132.36 2k39 s LYS 6 Ca 0.89 -0.23 0.08 0.00 -1.56 0.00 0.00 55.97 55.15 2k39 s LYS 6 Cb -0.33 -3.05 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 2k39 s LYS 6 CO 0.35 0.75 0.38 0.95 0.16 0.00 0.00 175.35 177.94 2k39 s THR 7 N -0.97 2.68 0.08 3.43 -4.23 -1.07 0.22 115.64 115.78 2k39 s THR 7 Ca 0.14 -1.34 -0.15 0.00 -1.18 0.00 0.00 61.69 59.16 2k39 s THR 7 Cb -0.12 -3.00 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 2k39 s THR 7 CO 0.03 -0.00 1.28 -0.07 -0.54 0.00 0.00 174.62 175.32 2k39 h LEU 8 N 1.03 0.82 -1.58 4.79 -0.00 -1.91 -3.33 115.31 115.14 2k39 h LEU 8 Ca -0.41 -0.63 0.24 0.00 -0.00 0.00 0.00 57.88 57.08 2k39 h LEU 8 Cb 1.27 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 41.62 2k39 h LEU 8 CO 0.57 1.31 0.64 0.71 -0.00 0.00 0.00 178.44 181.67 2k39 h THR 9 N 0.38 0.60 0.00 0.22 1.35 -1.96 -3.46 112.91 110.04 2k39 h THR 9 Ca -0.04 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2k39 h THR 9 Cb 1.28 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2k39 h THR 9 CO 0.14 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2k39 n GLY 10 N -1.55 1.93 3.70 5.82 0.00 -1.25 -5.11 105.19 108.73 2k39 n GLY 10 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 4.13 -0.61 1.61 1.02 -1.26 -4.98 119.74 119.45 2k39 s LYS 11 Ca 0.00 -0.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 2k39 s LYS 11 Cb 0.00 -3.42 0.07 0.00 -0.52 0.00 0.00 37.83 33.95 2k39 s LYS 11 CO 0.00 0.23 0.89 0.99 -0.92 0.00 0.00 175.35 176.54 2k39 s THR 12 N 0.54 4.47 0.17 2.17 2.01 -1.26 -2.59 115.64 121.15 2k39 s THR 12 Ca 0.07 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 2k39 s THR 12 Cb -0.12 -4.58 0.07 0.00 0.01 0.00 0.00 72.50 67.88 2k39 s THR 12 CO -0.00 -1.26 1.70 0.40 -0.69 0.00 0.00 174.62 174.77 2k39 h ILE 13 N 5.96 0.71 -3.05 1.82 1.08 -1.40 -3.47 117.51 119.16 2k39 h ILE 13 Ca -0.28 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 2k39 h ILE 13 Cb 1.08 0.58 0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2k39 h ILE 13 CO 1.12 0.02 -0.22 0.41 -0.69 0.00 0.00 178.15 178.80 2k39 n THR 14 N -5.18 -1.75 -2.48 -0.27 -1.04 -1.25 -4.97 114.28 97.34 2k39 n THR 14 Ca 0.03 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 2k39 n THR 14 Cb 0.21 -3.23 -0.03 0.00 -1.82 0.00 0.00 70.33 65.46 2k39 n THR 14 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2k39 s LEU 15 N -3.24 4.31 -0.34 -4.42 2.96 -0.62 -4.76 118.68 112.57 2k39 s LEU 15 Ca 0.01 1.84 -0.28 0.00 -0.22 0.00 0.00 54.13 55.48 2k39 s LEU 15 Cb -0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2k39 s LEU 15 CO 0.20 -0.52 1.04 -0.70 -1.32 0.00 0.00 176.35 175.05 2k39 s GLU 16 N 1.81 3.98 0.29 1.98 2.56 -1.26 -1.12 118.70 126.95 2k39 s GLU 16 Ca 0.56 0.90 0.08 0.00 0.00 0.00 0.00 54.97 56.51 2k39 s GLU 16 Cb -0.25 -3.77 -0.04 0.00 2.00 0.00 0.00 34.13 32.07 2k39 s GLU 16 CO 0.24 -0.95 0.16 0.14 -0.56 0.00 0.00 175.26 174.29 2k39 s VAL 17 N 3.66 3.70 0.20 3.70 -7.23 -0.56 -4.92 120.40 118.96 2k39 s VAL 17 Ca 0.44 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 59.12 2k39 s VAL 17 Cb -0.12 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 2k39 s VAL 17 CO 0.17 -0.28 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.94 2k39 s GLU 18 N -3.83 1.92 0.00 4.82 0.41 -1.26 -0.62 118.70 120.13 2k39 s GLU 18 Ca 0.35 -1.39 0.28 0.00 -0.41 0.00 0.00 54.97 53.81 2k39 s GLU 18 Cb -0.06 -2.05 1.53 0.00 -1.78 0.00 0.00 34.13 31.77 2k39 s GLU 18 CO 0.24 0.41 2.00 -0.35 -0.49 0.00 0.00 175.26 177.07 2k39 n PRO 19 N -0.05 0.59 0.10 0.39 -0.04 -1.26 -2.07 135.00 132.65 2k39 n PRO 19 Ca -0.10 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2k39 n PRO 19 Cb 0.56 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.18 0.79 -4.68 3.54 3.41 -1.26 -4.66 113.62 109.59 2k39 n SER 20 Ca 0.16 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 2k39 n SER 20 Cb 0.18 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 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 -4.47 6.62 0.48 4.04 1.01 -0.88 -5.01 116.67 118.46 2k39 s ASP 21 Ca 0.10 2.40 -0.08 0.00 0.71 0.00 0.00 52.55 55.67 2k39 s ASP 21 Cb 0.13 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 2k39 s ASP 21 CO 0.62 -0.91 0.82 0.42 0.21 0.00 0.00 175.17 176.33 2k39 s THR 22 N 3.34 4.83 0.31 -1.27 -4.23 -1.26 -4.09 115.64 113.27 2k39 s THR 22 Ca 0.75 0.47 0.07 0.00 -1.18 0.00 0.00 61.69 61.80 2k39 s THR 22 Cb -0.37 -3.82 0.35 0.00 1.34 0.00 0.00 72.50 69.99 2k39 s THR 22 CO 0.32 -0.78 1.62 0.40 -0.54 0.00 0.00 174.62 175.64 2k39 h ILE 23 N 0.46 0.19 -0.62 2.99 1.08 -1.57 -0.25 117.51 119.78 2k39 h ILE 23 Ca -0.47 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 2k39 h ILE 23 Cb 1.20 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 2k39 h ILE 23 CO 0.62 0.03 0.28 -0.08 -0.69 0.00 0.00 178.15 178.31 2k39 h GLU 24 N 0.14 0.88 0.05 2.37 4.57 -1.92 -2.17 114.58 118.50 2k39 h GLU 24 Ca 0.64 -0.12 -0.24 0.00 -1.18 0.00 0.00 59.36 58.46 2k39 h GLU 24 Cb 1.41 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2k39 h GLU 24 CO -0.73 0.70 -1.05 -0.97 -1.18 0.00 0.00 179.01 175.77 2k39 h ASN 25 N 0.88 0.44 -0.57 1.04 -1.24 -1.45 -0.24 115.58 114.44 2k39 h ASN 25 Ca 0.21 -0.40 0.01 0.00 0.71 0.00 0.00 56.30 56.84 2k39 h ASN 25 Cb 0.12 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 2k39 h ASN 25 CO -0.03 1.24 0.37 0.58 -1.29 0.00 0.00 177.43 178.30 2k39 h VAL 26 N 0.15 1.11 -0.63 2.57 2.07 -1.16 -0.81 116.25 119.55 2k39 h VAL 26 Ca -0.10 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2k39 h VAL 26 Cb 1.72 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2k39 h VAL 26 CO 0.17 0.13 0.11 0.11 0.02 0.00 0.00 177.57 178.12 2k39 h LYS 27 N 0.74 1.01 -0.09 1.57 1.57 -1.13 -0.28 116.57 119.96 2k39 h LYS 27 Ca 0.22 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2k39 h LYS 27 Cb -0.05 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2k39 h LYS 27 CO -0.07 0.92 -0.13 0.00 -0.57 0.00 0.00 179.45 179.60 2k39 h ALA 28 N 1.16 -0.08 0.00 3.86 0.00 -0.95 0.29 119.26 123.54 2k39 h ALA 28 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k39 h ALA 28 Cb 0.39 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k39 h ALA 28 CO 0.01 -0.60 -0.00 0.87 0.00 0.00 0.00 179.25 179.53 2k39 h LYS 29 N -0.18 0.00 0.13 0.00 1.57 -0.53 -2.73 116.57 114.82 2k39 h LYS 29 Ca 0.08 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 2k39 h LYS 29 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2k39 h LYS 29 CO -0.20 0.00 -1.59 0.82 -0.57 0.00 0.00 179.45 177.92 2k39 h ILE 30 N 0.00 0.92 -0.07 1.86 2.04 -0.89 -3.39 117.51 117.98 2k39 h ILE 30 Ca -0.00 -2.40 0.02 0.00 1.00 0.00 0.00 64.86 63.48 2k39 h ILE 30 Cb 0.01 2.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2k39 h ILE 30 CO 0.00 0.75 0.09 -0.61 0.00 0.00 0.00 178.15 178.39 2k39 h GLN 31 N -0.19 0.00 -0.09 2.37 4.15 -0.13 0.28 115.11 121.50 2k39 h GLN 31 Ca -0.34 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.12 2k39 h GLN 31 Cb 1.86 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.49 2k39 h GLN 31 CO 0.07 0.00 -0.26 0.22 -1.93 0.00 0.00 178.83 176.94 2k39 h ASP 32 N 0.00 -0.79 0.03 -0.69 3.58 -1.68 -2.56 116.42 114.31 2k39 h ASP 32 Ca 0.04 0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.44 2k39 h ASP 32 Cb 0.22 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2k39 h ASP 32 CO -0.00 -0.31 -0.86 0.11 -2.88 0.00 0.00 179.24 175.30 2k39 h LYS 33 N -0.35 0.06 0.00 0.28 1.79 -0.74 -3.42 116.57 114.20 2k39 h LYS 33 Ca 0.09 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k39 h LYS 33 Cb 0.48 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2k39 h LYS 33 CO -0.29 1.05 -1.40 0.39 -1.08 0.00 0.00 179.45 178.11 2k39 n GLU 34 N -4.37 0.61 0.00 3.15 -0.58 -0.21 -5.05 120.64 114.18 2k39 n GLU 34 Ca -0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.42 2k39 n GLU 34 Cb 0.66 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 1.83 1.19 3.67 0.62 0.00 -0.96 -4.98 105.19 106.55 2k39 n GLY 35 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.35 3.39 0.40 -0.61 -1.09 -1.26 -4.96 121.20 114.73 2k39 s ILE 36 Ca 0.00 0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 58.72 2k39 s ILE 36 Cb 0.00 -3.36 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 2k39 s ILE 36 CO 0.00 -0.04 1.37 -2.84 -1.23 0.00 0.00 174.94 172.20 2k39 s PRO 37 N 3.78 3.96 0.30 2.79 0.02 -1.26 -4.72 135.00 139.87 2k39 s PRO 37 Ca 0.76 2.32 0.06 0.00 0.02 0.00 0.00 61.00 64.15 2k39 s PRO 37 Cb -0.36 -2.80 0.77 0.00 0.02 0.00 0.00 34.50 32.13 2k39 s PRO 37 CO 0.32 -0.56 1.71 -1.35 -0.33 0.00 0.00 177.00 176.79 2k39 h PRO 38 N 2.72 0.47 0.02 5.54 0.11 -1.92 -0.51 132.00 138.42 2k39 h PRO 38 Ca -0.50 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 2k39 h PRO 38 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2k39 h PRO 38 CO 0.63 0.31 -1.03 0.22 -0.21 0.00 0.00 178.00 177.91 2k39 h ASP 39 N 0.48 0.08 0.20 -2.05 3.58 -2.03 -3.23 116.42 113.46 2k39 h ASP 39 Ca 0.59 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k39 h ASP 39 Cb 1.10 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2k39 h ASP 39 CO -0.50 1.06 0.00 1.67 -2.88 0.00 0.00 179.24 178.59 2k39 n GLN 40 N -3.40 0.40 -4.40 0.28 -0.06 -0.24 -4.68 117.38 105.28 2k39 n GLN 40 Ca -0.02 0.07 -0.32 0.00 -2.00 0.00 0.00 57.00 54.73 2k39 n GLN 40 Cb 0.95 -1.50 -0.16 0.00 -4.06 0.00 0.00 30.24 25.46 2k39 n GLN 40 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2k39 s GLN 41 N -2.34 2.92 -0.01 3.69 0.74 -0.99 -1.25 119.66 122.42 2k39 s GLN 41 Ca 0.22 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.84 2k39 s GLN 41 Cb 0.13 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.80 2k39 s GLN 41 CO 0.26 -0.11 -0.06 1.03 -0.55 0.00 0.00 175.29 175.86 2k39 s ARG 42 N 1.05 0.60 -0.29 1.67 0.52 -0.88 -4.92 118.95 116.70 2k39 s ARG 42 Ca -0.02 -0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 2k39 s ARG 42 Cb -0.14 -0.59 0.03 0.00 0.52 0.00 0.00 34.95 34.77 2k39 s ARG 42 CO -0.07 0.09 0.02 -0.51 0.02 0.00 0.00 175.30 174.85 2k39 s LEU 43 N 0.09 3.74 -0.10 2.53 1.43 -1.26 -0.99 118.68 124.12 2k39 s LEU 43 Ca -0.01 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 2k39 s LEU 43 Cb -0.05 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2k39 s LEU 43 CO -0.00 -0.22 0.20 -0.63 0.23 0.00 0.00 176.35 175.93 2k39 s ILE 44 N 1.35 5.40 -0.35 -0.59 1.01 0.73 -2.98 121.20 125.78 2k39 s ILE 44 Ca -0.01 0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2k39 s ILE 44 Cb -0.18 -3.47 0.14 0.00 0.01 0.00 0.00 42.46 38.96 2k39 s ILE 44 CO -0.01 0.60 0.29 0.12 0.00 0.00 0.00 174.94 175.95 2k39 s PHE 45 N -0.97 0.04 -0.78 3.97 5.36 0.31 0.23 117.98 126.13 2k39 s PHE 45 Ca 0.17 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 2k39 s PHE 45 Cb -0.13 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.94 2k39 s PHE 45 CO 0.06 -0.91 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 2k39 n ALA 46 N 4.43 -0.18 0.00 11.12 0.00 -1.26 -2.87 120.51 131.74 2k39 n ALA 46 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2k39 n ALA 46 Cb 0.43 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.52 1.16 3.30 0.00 0.00 -1.26 -5.07 105.19 101.80 2k39 n GLY 47 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.72 2.14 0.01 1.61 2.20 -1.14 -5.09 119.74 118.76 2k39 s LYS 48 Ca 0.00 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.40 2k39 s LYS 48 Cb 0.00 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2k39 s LYS 48 CO 0.00 0.54 0.94 -0.65 -0.36 0.00 0.00 175.35 175.82 2k39 s GLN 49 N -0.57 4.57 0.09 4.03 -0.21 -1.26 -0.53 119.66 125.78 2k39 s GLN 49 Ca 0.09 1.35 -0.25 0.00 0.02 0.00 0.00 55.36 56.56 2k39 s GLN 49 Cb -0.10 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.40 2k39 s GLN 49 CO -0.01 0.02 0.77 -0.51 -2.12 0.00 0.00 175.29 173.44 2k39 s LEU 50 N 0.78 4.50 0.33 2.90 1.43 -1.16 -5.00 118.68 122.46 2k39 s LEU 50 Ca 0.49 1.52 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 2k39 s LEU 50 Cb -0.21 -3.25 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 2k39 s LEU 50 CO 0.27 0.09 0.98 -0.70 0.23 0.00 0.00 176.35 177.22 2k39 s GLU 51 N -0.45 4.51 0.21 1.70 2.12 -1.26 -4.86 118.70 120.68 2k39 s GLU 51 Ca 0.38 1.43 -0.17 0.00 0.36 0.00 0.00 54.97 56.97 2k39 s GLU 51 Cb -0.21 -2.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.29 2k39 s GLU 51 CO 0.24 0.19 0.66 -0.51 -0.54 0.00 0.00 175.26 175.30 2k39 s ASP 52 N -1.50 6.91 0.00 -1.70 1.01 -1.26 -3.86 116.67 116.27 2k39 s ASP 52 Ca 0.51 1.26 0.00 0.00 0.71 0.00 0.00 52.55 55.02 2k39 s ASP 52 Cb -0.21 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2k39 s ASP 52 CO 0.27 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.27 2k39 n GLY 53 N 0.53 3.11 2.82 0.21 0.00 -1.26 -5.05 105.19 105.55 2k39 n GLY 53 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2k39 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 n ARG 54 N -1.33 -0.14 -3.72 1.61 5.12 -1.25 -4.70 116.66 112.25 2k39 n ARG 54 Ca 0.00 -1.87 -0.21 0.00 -1.93 0.00 0.00 57.85 53.83 2k39 n ARG 54 Cb 0.00 -0.60 -0.04 0.00 -1.16 0.00 0.00 32.46 30.67 2k39 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2k39 s THR 55 N -2.39 2.93 0.18 0.55 -4.23 -1.26 -1.57 115.64 109.84 2k39 s THR 55 Ca 0.50 -1.40 0.23 0.00 -1.18 0.00 0.00 61.69 59.84 2k39 s THR 55 Cb -0.02 -3.05 0.22 0.00 1.34 0.00 0.00 72.50 70.99 2k39 s THR 55 CO 0.33 -0.07 1.84 -0.07 -0.54 0.00 0.00 174.62 176.12 2k39 h LEU 56 N 1.16 0.00 -0.35 4.79 3.38 -1.89 -2.61 115.31 119.79 2k39 h LEU 56 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2k39 h LEU 56 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k39 h LEU 56 CO 0.59 0.24 0.00 0.28 0.09 0.00 0.00 178.44 179.64 2k39 h SER 57 N 0.00 0.00 0.01 -0.43 0.02 -1.84 -2.04 113.55 109.27 2k39 h SER 57 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 2k39 h SER 57 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2k39 h SER 57 CO 0.03 0.00 -0.56 0.44 -1.14 0.00 0.00 176.83 175.60 2k39 h ASP 58 N 0.00 0.65 -0.00 3.07 3.32 -1.87 -3.15 116.42 118.44 2k39 h ASP 58 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2k39 h ASP 58 Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k39 h ASP 58 CO 0.00 1.07 -0.97 -1.22 -1.72 0.00 0.00 179.24 176.40 2k39 n TYR 59 N -3.96 0.00 -0.86 4.55 4.01 -1.22 -5.04 117.16 114.65 2k39 n TYR 59 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2k39 n TYR 59 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 -1.43 -2.57 -4.67 7.72 5.15 -0.93 -5.01 115.26 113.52 2k39 n ASN 60 Ca 0.04 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.60 2k39 n ASN 60 Cb 0.33 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 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 -2.00 3.98 0.48 -1.44 1.01 -0.81 -5.01 121.20 117.40 2k39 s ILE 61 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 60.65 61.91 2k39 s ILE 61 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2k39 s ILE 61 CO 0.00 -0.08 0.03 -1.10 0.00 0.00 0.00 174.94 173.80 2k39 s GLN 62 N 3.30 2.11 0.20 2.79 -1.52 -1.26 -4.70 119.66 120.57 2k39 s GLN 62 Ca 0.62 -2.32 -0.31 0.00 -1.95 0.00 0.00 55.36 51.39 2k39 s GLN 62 Cb -0.27 -1.30 -0.16 0.00 -0.22 0.00 0.00 33.01 31.06 2k39 s GLN 62 CO 0.22 -0.37 0.96 0.36 -0.25 0.00 0.00 175.29 176.21 2k39 n LYS 63 N -1.15 0.84 -0.73 2.91 2.85 -1.26 -3.40 118.16 118.21 2k39 n LYS 63 Ca -0.15 0.30 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2k39 n LYS 63 Cb 0.66 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 1.27 0.00 -3.44 -1.58 2.13 0.25 -4.97 120.64 114.30 2k39 n GLU 64 Ca 0.15 0.21 -0.37 0.00 0.66 0.00 0.00 57.16 57.80 2k39 n GLU 64 Cb 0.25 -2.60 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 2k39 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k39 s SER 65 N -2.41 6.66 -0.05 4.31 0.15 -1.22 -4.88 113.70 116.25 2k39 s SER 65 Ca 0.00 0.78 -0.16 0.00 0.70 0.00 0.00 55.95 57.27 2k39 s SER 65 Cb 0.00 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 2k39 s SER 65 CO 0.00 0.14 0.43 0.42 1.20 0.00 0.00 173.24 175.43 2k39 s THR 66 N -0.01 5.09 0.34 6.45 -4.23 -1.26 -0.46 115.64 121.56 2k39 s THR 66 Ca 0.23 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 2k39 s THR 66 Cb -0.15 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.96 2k39 s THR 66 CO 0.10 0.48 0.12 0.18 -0.54 0.00 0.00 174.62 174.95 2k39 n LEU 67 N 2.60 0.00 -3.90 4.79 4.32 -1.22 -4.81 117.00 118.79 2k39 n LEU 67 Ca -0.11 -1.97 -0.13 0.00 -0.02 0.00 0.00 56.01 53.78 2k39 n LEU 67 Cb 0.52 0.12 -0.14 0.00 -1.62 0.00 0.00 43.42 42.29 2k39 n LEU 67 CO 0.40 -0.37 -0.37 -2.28 -1.22 0.00 0.00 177.39 173.54 2k39 s HIS 68 N -2.00 0.16 -0.20 -1.77 2.46 0.13 -1.72 115.29 112.37 2k39 s HIS 68 Ca 0.09 -0.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.55 2k39 s HIS 68 Cb -0.01 -0.11 -0.01 0.00 -0.13 0.00 0.00 32.58 32.32 2k39 s HIS 68 CO 0.06 -0.01 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.10 2k39 s LEU 69 N -0.02 2.97 -0.03 8.88 0.20 0.13 -0.20 118.68 130.62 2k39 s LEU 69 Ca 0.00 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 54.56 2k39 s LEU 69 Cb -0.01 -1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2k39 s LEU 69 CO -0.00 0.04 -0.20 0.68 -0.29 0.00 0.00 176.35 176.59 2k39 s VAL 70 N 1.10 1.59 0.46 1.68 -7.23 -0.16 -4.30 120.40 113.54 2k39 s VAL 70 Ca 0.01 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2k39 s VAL 70 Cb -0.15 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2k39 s VAL 70 CO -0.00 0.45 0.75 -0.76 -0.31 0.00 0.00 175.10 175.23 2k39 s LEU 71 N -0.22 3.67 0.07 1.32 1.43 -1.26 -2.07 118.68 121.62 2k39 s LEU 71 Ca 0.01 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 2k39 s LEU 71 Cb -0.10 -3.74 -0.16 0.00 0.03 0.00 0.00 46.19 42.22 2k39 s LEU 71 CO 0.01 -0.56 1.28 -0.09 0.23 0.00 0.00 176.35 177.22 2k39 h ARG 72 N 0.30 0.61 -6.16 1.70 2.43 -1.45 -3.40 114.38 108.41 2k39 h ARG 72 Ca -0.47 -0.45 -0.59 0.00 -0.81 0.00 0.00 59.98 57.66 2k39 h ARG 72 Cb 1.21 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.76 2k39 h ARG 72 CO 0.61 1.07 0.67 -1.17 -1.51 0.00 0.00 179.97 179.65 2k39 s LEU 73 N -8.64 3.96 0.58 3.80 1.98 -1.26 -5.02 118.68 114.08 2k39 s LEU 73 Ca -0.12 0.72 -0.17 0.00 -2.89 0.00 0.00 54.13 51.67 2k39 s LEU 73 Cb 0.07 -3.34 -0.04 0.00 0.66 0.00 0.00 46.19 43.53 2k39 s LEU 73 CO 0.84 -0.87 1.07 -0.13 -1.89 0.00 0.00 176.35 175.37 2k39 s ARG 74 N 3.54 3.33 0.00 1.98 0.52 -1.26 -4.94 118.95 122.12 2k39 s ARG 74 Ca 0.40 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 2k39 s ARG 74 Cb -0.12 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2k39 s ARG 74 CO 0.18 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 175.10 2k39 n GLY 75 N -0.69 -0.60 0.00 -3.53 0.00 -1.26 -5.19 105.19 93.92 2k39 n GLY 75 Ca 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93