#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g45 s GLN 2 N 0.00 3.35 0.06 3.17 -0.21 -1.26 -0.48 119.66 124.28 2g45 s GLN 2 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 54.99 2g45 s GLN 2 Cb 0.00 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2g45 s GLN 2 CO 0.00 0.65 -0.04 0.96 -2.12 0.00 0.00 175.29 174.74 2g45 s ILE 3 N -1.34 0.34 0.17 1.08 -4.36 -0.62 0.48 121.20 116.95 2g45 s ILE 3 Ca 0.28 -1.67 0.08 0.00 -0.26 0.00 0.00 60.65 59.08 2g45 s ILE 3 Cb -0.13 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.21 2g45 s ILE 3 CO 0.20 -0.86 -0.08 -0.36 0.24 0.00 0.00 174.94 174.07 2g45 s PHE 4 N -3.36 2.67 -0.04 1.37 0.40 -0.28 -0.90 117.98 117.84 2g45 s PHE 4 Ca 0.04 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 2g45 s PHE 4 Cb 0.04 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.28 2g45 s PHE 4 CO -0.07 0.50 -0.01 0.08 0.70 0.00 0.00 175.22 176.43 2g45 s VAL 5 N -1.64 0.28 -0.20 -0.44 1.01 -0.36 -0.15 120.40 118.90 2g45 s VAL 5 Ca 0.25 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 2g45 s VAL 5 Cb -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2g45 s VAL 5 CO 0.15 0.19 0.89 -0.54 0.00 0.00 0.00 175.10 175.80 2g45 s LYS 6 N 1.27 4.26 0.91 2.72 -0.14 0.17 -1.16 119.74 127.78 2g45 s LYS 6 Ca -0.06 1.11 -0.15 0.00 -1.36 0.00 0.00 55.97 55.51 2g45 s LYS 6 Cb -0.13 -3.61 0.21 0.00 -1.68 0.00 0.00 37.83 32.62 2g45 s LYS 6 CO -0.02 -0.46 1.24 0.25 -0.76 0.00 0.00 175.35 175.60 2g45 n THR 7 N 5.02 0.00 0.15 2.17 -2.24 0.90 -0.67 114.28 119.61 2g45 n THR 7 Ca 0.07 -0.95 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 2g45 n THR 7 Cb 0.48 -1.51 0.68 0.00 -2.10 0.00 0.00 70.33 67.88 2g45 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2g45 h LEU 8 N 0.00 0.00 -0.43 3.22 3.38 -1.89 -0.91 115.31 118.68 2g45 h LEU 8 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2g45 h LEU 8 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2g45 h LEU 8 CO 0.29 0.00 -0.33 0.35 0.09 0.00 0.00 178.44 178.84 2g45 n THR 9 N -4.39 0.00 -0.06 0.22 -2.24 -1.26 -4.92 114.28 101.62 2g45 n THR 9 Ca 0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2g45 n THR 9 Cb 0.32 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2g45 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g45 n GLY 10 N 1.38 0.47 3.76 3.38 0.00 -0.35 -5.06 105.19 108.77 2g45 n GLY 10 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2g45 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g45 s LYS 11 N -0.87 2.29 -0.18 1.61 2.20 -1.26 -4.64 119.74 118.89 2g45 s LYS 11 Ca 0.00 1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 56.82 2g45 s LYS 11 Cb 0.00 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.41 2g45 s LYS 11 CO 0.00 -1.63 -0.05 0.99 -0.36 0.00 0.00 175.35 174.30 2g45 s THR 12 N -2.76 3.57 0.23 3.43 2.01 -1.26 -0.07 115.64 120.78 2g45 s THR 12 Ca 0.63 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 62.27 2g45 s THR 12 Cb -0.18 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2g45 s THR 12 CO 0.53 0.46 -0.08 0.27 -0.69 0.00 0.00 174.62 175.12 2g45 s ILE 13 N 0.86 3.17 -0.07 1.82 -4.36 -0.31 -4.95 121.20 117.37 2g45 s ILE 13 Ca -0.01 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 2g45 s ILE 13 Cb -0.15 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 2g45 s ILE 13 CO 0.01 -0.27 -0.20 -0.89 0.24 0.00 0.00 174.94 173.83 2g45 s THR 14 N -2.09 2.47 0.10 8.37 2.01 -1.26 -1.23 115.64 124.02 2g45 s THR 14 Ca 0.28 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.47 2g45 s THR 14 Cb -0.07 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2g45 s THR 14 CO 0.17 0.57 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.65 2g45 s LEU 15 N -0.19 2.27 -0.32 4.42 1.43 -0.08 -4.98 118.68 121.24 2g45 s LEU 15 Ca -0.02 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 2g45 s LEU 15 Cb -0.14 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 2g45 s LEU 15 CO 0.03 0.19 0.17 -0.70 0.23 0.00 0.00 176.35 176.28 2g45 s GLU 16 N -1.78 3.37 0.27 1.70 2.56 -1.26 -1.59 118.70 121.98 2g45 s GLU 16 Ca 0.12 -0.70 0.02 0.00 0.00 0.00 0.00 54.97 54.42 2g45 s GLU 16 Cb -0.10 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.38 2g45 s GLU 16 CO 0.05 -0.42 0.23 0.14 -0.56 0.00 0.00 175.26 174.70 2g45 s VAL 17 N 1.64 0.00 0.18 3.70 -7.23 0.36 -4.93 120.40 114.12 2g45 s VAL 17 Ca 0.05 -1.95 0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2g45 s VAL 17 Cb -0.17 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2g45 s VAL 17 CO 0.07 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.06 2g45 s GLU 18 N -3.76 1.70 0.55 4.82 0.41 -1.26 -0.13 118.70 121.04 2g45 s GLU 18 Ca 0.39 -1.42 0.22 0.00 -0.41 0.00 0.00 54.97 53.76 2g45 s GLU 18 Cb 0.04 -1.96 1.50 0.00 -1.78 0.00 0.00 34.13 31.93 2g45 s GLU 18 CO 0.20 0.42 2.17 -1.35 -0.49 0.00 0.00 175.26 176.20 2g45 h PRO 19 N 3.17 0.00 -0.11 0.39 0.11 -1.97 -1.25 132.00 132.34 2g45 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2g45 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2g45 h PRO 19 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 2g45 n SER 20 N -4.23 0.81 -4.77 -2.05 3.41 -1.26 -1.30 113.62 104.23 2g45 n SER 20 Ca -0.02 -1.72 -0.39 0.00 -0.26 0.00 0.00 58.87 56.48 2g45 n SER 20 Cb 0.15 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2g45 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2g45 s ASP 21 N -1.36 6.92 0.59 4.04 1.01 -0.47 -4.82 116.67 122.58 2g45 s ASP 21 Ca 0.23 2.31 -0.09 0.00 0.71 0.00 0.00 52.55 55.71 2g45 s ASP 21 Cb 0.11 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2g45 s ASP 21 CO 0.18 -0.39 0.96 0.42 0.21 0.00 0.00 175.17 176.54 2g45 s THR 22 N -1.31 4.45 0.37 -1.27 -4.23 -1.26 -1.23 115.64 111.16 2g45 s THR 22 Ca 0.51 0.54 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 2g45 s THR 22 Cb -0.31 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.02 2g45 s THR 22 CO 0.40 -0.91 2.01 0.40 -0.54 0.00 0.00 174.62 175.98 2g45 h ILE 23 N -0.21 1.15 -0.68 2.99 1.08 -1.37 -1.56 117.51 118.90 2g45 h ILE 23 Ca -0.45 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 2g45 h ILE 23 Cb 1.21 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 2g45 h ILE 23 CO 0.62 0.15 0.33 -0.33 -0.69 0.00 0.00 178.15 178.23 2g45 h GLU 24 N 0.71 0.97 -0.66 2.37 3.07 -1.88 -0.46 114.58 118.70 2g45 h GLU 24 Ca 0.19 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2g45 h GLU 24 Cb -0.03 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 2g45 h GLU 24 CO -0.04 0.77 0.35 -0.91 -1.40 0.00 0.00 179.01 177.78 2g45 h ASN 25 N 0.94 0.84 -0.47 1.42 2.35 -1.71 -1.43 115.58 117.52 2g45 h ASN 25 Ca 0.23 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2g45 h ASN 25 Cb 0.11 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2g45 h ASN 25 CO -0.03 0.70 0.25 0.58 -1.65 0.00 0.00 177.43 177.28 2g45 h VAL 26 N 0.90 1.17 -0.50 2.81 2.07 -0.84 -1.70 116.25 120.17 2g45 h VAL 26 Ca 0.23 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2g45 h VAL 26 Cb 0.07 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2g45 h VAL 26 CO -0.03 0.18 0.19 0.11 0.02 0.00 0.00 177.57 178.04 2g45 h LYS 27 N 0.62 0.72 -0.61 1.57 1.57 -0.75 -1.18 116.57 118.51 2g45 h LYS 27 Ca 0.16 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2g45 h LYS 27 Cb 0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2g45 h LYS 27 CO -0.02 0.60 0.22 0.00 -0.57 0.00 0.00 179.45 179.67 2g45 h ALA 28 N 1.50 0.80 -0.27 3.86 0.00 -0.80 -1.14 119.26 123.21 2g45 h ALA 28 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2g45 h ALA 28 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2g45 h ALA 28 CO -0.02 0.44 -0.00 0.87 0.00 0.00 0.00 179.25 180.54 2g45 h LYS 29 N 0.86 0.40 -0.27 0.00 1.57 -0.51 -1.81 116.57 116.80 2g45 h LYS 29 Ca 0.20 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2g45 h LYS 29 Cb 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2g45 h LYS 29 CO -0.01 0.43 -0.50 0.82 -0.57 0.00 0.00 179.45 179.61 2g45 h ILE 30 N 0.39 1.29 -0.83 1.86 2.04 -0.64 -2.65 117.51 118.97 2g45 h ILE 30 Ca 0.09 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 2g45 h ILE 30 Cb 0.26 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2g45 h ILE 30 CO 0.01 0.55 0.40 -0.61 0.00 0.00 0.00 178.15 178.50 2g45 h GLN 31 N 0.60 1.19 -0.61 2.37 4.15 -0.52 0.48 115.11 122.77 2g45 h GLN 31 Ca 0.02 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.28 2g45 h GLN 31 Cb 1.08 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2g45 h GLN 31 CO 0.11 0.92 0.40 -0.44 -1.93 0.00 0.00 178.83 177.89 2g45 h ASP 32 N 1.18 0.70 0.03 -0.69 3.45 -1.18 0.20 116.42 120.10 2g45 h ASP 32 Ca 0.28 -0.02 -0.23 0.00 0.43 0.00 0.00 57.03 57.50 2g45 h ASP 32 Cb 0.11 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 2g45 h ASP 32 CO -0.04 0.51 -1.23 0.11 -1.57 0.00 0.00 179.24 177.03 2g45 h LYS 33 N 0.83 0.05 0.00 3.56 1.79 -1.06 -3.42 116.57 118.32 2g45 h LYS 33 Ca 0.22 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2g45 h LYS 33 Cb -0.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2g45 h LYS 33 CO -0.05 1.04 -1.62 -1.91 -1.08 0.00 0.00 179.45 175.84 2g45 n GLU 34 N -4.30 0.43 -0.63 3.15 4.07 0.16 -5.00 120.64 118.52 2g45 n GLU 34 Ca -0.29 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 2g45 n GLU 34 Cb 0.72 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 2g45 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g45 n GLY 35 N 1.34 1.17 3.68 8.31 0.00 0.69 -5.00 105.19 115.37 2g45 n GLY 35 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2g45 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2g45 s ILE 36 N -3.41 4.93 0.43 -0.61 2.07 -1.26 -4.98 121.20 118.37 2g45 s ILE 36 Ca 0.00 1.55 -0.26 0.00 -1.41 0.00 0.00 60.65 60.53 2g45 s ILE 36 Cb 0.00 -4.10 -0.09 0.00 0.13 0.00 0.00 42.46 38.40 2g45 s ILE 36 CO 0.00 0.09 1.40 -2.65 -1.91 0.00 0.00 174.94 171.87 2g45 n PRO 37 N 4.86 2.25 -0.32 3.50 -0.02 -1.26 -4.00 135.00 140.02 2g45 n PRO 37 Ca 0.03 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2g45 n PRO 37 Cb 0.49 -2.57 0.27 0.00 -0.02 0.00 0.00 33.50 31.67 2g45 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2g45 h PRO 38 N 2.37 0.63 0.00 0.52 0.11 -1.96 -0.70 132.00 132.98 2g45 h PRO 38 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2g45 h PRO 38 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2g45 h PRO 38 CO 0.61 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2g45 n ASP 39 N -4.85 0.00 -0.28 -2.05 3.85 -1.26 -1.30 116.55 110.66 2g45 n ASP 39 Ca 0.20 -0.83 0.04 0.00 -0.71 0.00 0.00 54.79 53.49 2g45 n ASP 39 Cb 0.51 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.30 2g45 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2g45 n GLN 40 N -0.85 1.01 -3.66 0.11 6.02 -0.28 -4.88 117.38 114.86 2g45 n GLN 40 Ca 0.10 -0.82 -0.34 0.00 -0.01 0.00 0.00 57.00 55.94 2g45 n GLN 40 Cb 0.05 -1.11 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 2g45 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g45 s GLN 41 N -0.91 3.67 -0.07 -1.09 -0.21 -0.42 -2.07 119.66 118.56 2g45 s GLN 41 Ca 0.09 0.03 -0.03 0.00 0.02 0.00 0.00 55.36 55.47 2g45 s GLN 41 Cb 0.07 -2.99 0.04 0.00 1.00 0.00 0.00 33.01 31.12 2g45 s GLN 41 CO 0.15 0.57 0.06 0.50 -2.12 0.00 0.00 175.29 174.45 2g45 s ARG 42 N -2.03 0.01 -0.10 2.91 3.52 -0.74 -4.56 118.95 117.95 2g45 s ARG 42 Ca 0.33 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 56.14 2g45 s ARG 42 Cb -0.13 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.38 2g45 s ARG 42 CO 0.19 -0.41 0.06 -0.51 -0.81 0.00 0.00 175.30 173.82 2g45 s LEU 43 N 2.15 3.90 -0.06 -0.88 1.43 -1.26 -1.03 118.68 122.93 2g45 s LEU 43 Ca 0.04 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2g45 s LEU 43 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2g45 s LEU 43 CO -0.04 0.38 -0.17 -0.63 0.23 0.00 0.00 176.35 176.12 2g45 s ILE 44 N -0.87 1.45 -0.08 -0.59 -1.09 -0.30 -0.73 121.20 118.99 2g45 s ILE 44 Ca 0.13 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2g45 s ILE 44 Cb -0.12 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.52 2g45 s ILE 44 CO 0.03 0.42 -0.06 0.12 -1.23 0.00 0.00 174.94 174.22 2g45 s PHE 45 N 0.28 1.09 -1.46 3.97 5.36 0.61 -1.13 117.98 126.69 2g45 s PHE 45 Ca -0.10 -0.43 -0.05 0.00 -0.96 0.00 0.00 56.93 55.40 2g45 s PHE 45 Cb -0.14 -0.95 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 2g45 s PHE 45 CO 0.04 -0.34 0.58 0.00 -1.46 0.00 0.00 175.22 174.03 2g45 n ALA 46 N 4.56 -1.81 -0.35 11.12 0.00 -1.26 -0.00 120.51 132.77 2g45 n ALA 46 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2g45 n ALA 46 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2g45 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g45 n GLY 47 N -1.80 1.34 3.72 0.00 0.00 -1.26 -4.98 105.19 102.21 2g45 n GLY 47 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2g45 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g45 s LYS 48 N -0.16 4.13 0.10 1.61 0.00 0.99 -5.07 119.74 121.35 2g45 s LYS 48 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 55.97 55.43 2g45 s LYS 48 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 37.83 34.38 2g45 s LYS 48 CO 0.00 0.31 1.22 -1.14 0.00 0.00 0.00 175.35 175.74 2g45 s GLN 49 N 0.31 4.44 0.07 1.78 0.74 -1.26 -0.29 119.66 125.45 2g45 s GLN 49 Ca 0.08 1.83 -0.25 0.00 0.05 0.00 0.00 55.36 57.07 2g45 s GLN 49 Cb -0.11 -3.31 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 2g45 s GLN 49 CO -0.02 -0.23 0.77 -0.51 -0.55 0.00 0.00 175.29 174.76 2g45 s LEU 50 N 0.71 4.48 -0.06 3.68 1.43 0.09 -4.94 118.68 124.07 2g45 s LEU 50 Ca 0.58 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 2g45 s LEU 50 Cb -0.31 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2g45 s LEU 50 CO 0.31 0.05 0.01 -1.61 0.23 0.00 0.00 176.35 175.34 2g45 s GLU 51 N -0.26 2.95 0.54 1.70 0.41 -1.26 -4.68 118.70 118.10 2g45 s GLU 51 Ca 0.38 -0.46 -0.22 0.00 -0.41 0.00 0.00 54.97 54.27 2g45 s GLU 51 Cb -0.21 -2.78 -0.05 0.00 -1.78 0.00 0.00 34.13 29.31 2g45 s GLU 51 CO 0.24 0.68 1.34 -0.51 -0.49 0.00 0.00 175.26 176.52 2g45 s ASP 52 N -1.12 5.31 0.00 -0.19 -0.00 -1.26 -2.40 116.67 117.01 2g45 s ASP 52 Ca 0.16 2.72 0.00 0.00 -0.00 0.00 0.00 52.55 55.43 2g45 s ASP 52 Cb -0.11 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 2g45 s ASP 52 CO 0.05 -1.54 0.00 0.61 -0.00 0.00 0.00 175.17 174.29 2g45 n GLY 53 N 0.71 0.79 3.73 0.21 0.00 -1.26 -4.99 105.19 104.38 2g45 n GLY 53 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2g45 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g45 s ARG 54 N -0.80 2.54 0.42 1.61 1.81 -1.01 -4.99 118.95 118.53 2g45 s ARG 54 Ca 0.00 -1.30 0.08 0.00 -1.72 0.00 0.00 55.73 52.78 2g45 s ARG 54 Cb 0.00 -2.32 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2g45 s ARG 54 CO 0.00 0.33 0.31 0.95 -0.68 0.00 0.00 175.30 176.21 2g45 s THR 55 N -2.27 2.54 0.20 0.02 -4.23 -1.26 -1.15 115.64 109.49 2g45 s THR 55 Ca 0.33 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.27 2g45 s THR 55 Cb -0.06 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.90 2g45 s THR 55 CO 0.22 -0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.09 2g45 h LEU 56 N 1.16 0.72 -2.29 4.79 3.38 -1.02 -2.13 115.31 119.92 2g45 h LEU 56 Ca -0.42 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2g45 h LEU 56 Cb 1.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2g45 h LEU 56 CO 0.61 0.51 -0.02 0.77 0.09 0.00 0.00 178.44 180.40 2g45 h SER 57 N 0.85 0.00 0.14 -0.43 4.64 -1.42 -1.29 113.55 116.03 2g45 h SER 57 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2g45 h SER 57 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2g45 h SER 57 CO -0.07 0.02 -0.09 0.44 -0.87 0.00 0.00 176.83 176.26 2g45 h ASP 58 N 0.00 0.00 -0.51 4.97 3.45 -1.67 -1.39 116.42 121.27 2g45 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2g45 h ASP 58 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2g45 h ASP 58 CO 0.00 0.09 0.00 -1.22 -1.57 0.00 0.00 179.24 176.54 2g45 n TYR 59 N -4.11 0.72 -3.14 4.55 4.02 -0.54 -4.96 117.16 113.70 2g45 n TYR 59 Ca -0.03 -0.51 -0.22 0.00 -0.01 0.00 0.00 57.90 57.13 2g45 n TYR 59 Cb 0.17 -0.03 0.05 0.00 -0.02 0.00 0.00 39.34 39.51 2g45 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2g45 n ASN 60 N 0.97 -6.04 -4.62 7.72 4.05 -0.53 -4.94 115.26 111.87 2g45 n ASN 60 Ca 0.17 -0.34 -0.43 0.00 0.45 0.00 0.00 54.58 54.44 2g45 n ASN 60 Cb 0.53 -4.81 -0.03 0.00 1.23 0.00 0.00 39.78 36.70 2g45 n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2g45 s ILE 61 N -3.20 4.54 0.50 -1.44 1.01 -0.87 -5.01 121.20 116.74 2g45 s ILE 61 Ca 0.36 1.44 0.03 0.00 0.00 0.00 0.00 60.65 62.48 2g45 s ILE 61 Cb -0.16 -4.37 0.03 0.00 0.01 0.00 0.00 42.46 37.97 2g45 s ILE 61 CO 0.45 -0.52 0.27 0.00 0.00 0.00 0.00 174.94 175.13 2g45 n GLN 62 N 6.85 0.76 -1.58 2.79 6.02 -1.26 -4.50 117.38 126.46 2g45 n GLN 62 Ca 0.09 -3.31 -0.55 0.00 -0.01 0.00 0.00 57.00 53.23 2g45 n GLN 62 Cb 0.48 0.52 -0.07 0.00 1.02 0.00 0.00 30.24 32.19 2g45 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2g45 n LYS 63 N -1.55 0.83 -1.37 -1.09 4.81 -1.26 -0.75 118.16 117.78 2g45 n LYS 63 Ca -0.07 0.30 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 2g45 n LYS 63 Cb 0.59 -1.91 -0.05 0.00 0.02 0.00 0.00 35.03 33.68 2g45 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2g45 n GLU 64 N 2.55 -1.07 -1.90 1.64 1.02 0.18 -5.00 120.64 118.05 2g45 n GLU 64 Ca 0.20 0.93 -0.32 0.00 -0.02 0.00 0.00 57.16 57.94 2g45 n GLU 64 Cb 0.15 -5.04 0.02 0.00 -0.02 0.00 0.00 31.44 26.55 2g45 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2g45 s SER 65 N -2.74 5.61 -0.14 1.62 0.01 0.07 -4.72 113.70 113.41 2g45 s SER 65 Ca 0.00 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.06 2g45 s SER 65 Cb 0.00 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 2g45 s SER 65 CO 0.00 -1.29 -0.16 -0.89 0.41 0.00 0.00 173.24 171.31 2g45 s THR 66 N -2.57 2.63 0.29 1.44 2.01 -1.26 -1.13 115.64 117.05 2g45 s THR 66 Ca 0.63 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.91 2g45 s THR 66 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2g45 s THR 66 CO 0.41 0.52 0.26 -0.76 -0.69 0.00 0.00 174.62 174.37 2g45 s LEU 67 N 0.70 3.77 -0.12 4.42 1.43 0.78 -4.73 118.68 124.93 2g45 s LEU 67 Ca -0.08 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2g45 s LEU 67 Cb -0.16 -2.35 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 2g45 s LEU 67 CO 0.02 -0.19 -0.20 -1.00 0.23 0.00 0.00 176.35 175.20 2g45 s HIS 68 N -2.19 2.66 -0.23 0.29 3.76 -0.29 -0.66 115.29 118.63 2g45 s HIS 68 Ca 0.37 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 54.13 2g45 s HIS 68 Cb -0.07 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 2g45 s HIS 68 CO 0.26 -0.42 0.23 -1.17 -0.85 0.00 0.00 174.74 172.79 2g45 s LEU 69 N 0.49 4.12 0.26 0.89 2.96 0.16 -1.15 118.68 126.41 2g45 s LEU 69 Ca -0.13 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2g45 s LEU 69 Cb -0.17 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 2g45 s LEU 69 CO 0.05 0.02 0.03 0.68 -1.32 0.00 0.00 176.35 175.81 2g45 s VAL 70 N 1.17 0.96 0.21 1.68 -7.23 -0.20 -4.06 120.40 112.93 2g45 s VAL 70 Ca 0.11 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 2g45 s VAL 70 Cb -0.14 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 2g45 s VAL 70 CO 0.06 -0.19 1.20 -0.76 -0.31 0.00 0.00 175.10 175.10 2g45 s LEU 71 N -3.34 4.46 -0.33 1.32 1.43 -1.26 -1.80 118.68 119.15 2g45 s LEU 71 Ca 0.32 2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 55.49 2g45 s LEU 71 Cb 0.07 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 2g45 s LEU 71 CO 0.11 -0.37 0.66 -0.60 0.23 0.00 0.00 176.35 176.39 2g45 s ARG 72 N -0.48 3.79 0.34 1.70 3.52 -0.88 -4.73 118.95 122.20 2g45 s ARG 72 Ca 0.52 0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 56.15 2g45 s ARG 72 Cb -0.33 -3.77 -0.09 0.00 -1.56 0.00 0.00 34.95 29.19 2g45 s ARG 72 CO 0.38 -0.68 0.80 -0.51 -0.81 0.00 0.00 175.30 174.48 2g45 s LEU 73 N 2.73 4.09 0.00 -0.88 1.43 -1.26 -4.86 118.68 119.93 2g45 s LEU 73 Ca 0.26 1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 54.50 2g45 s LEU 73 Cb -0.14 -4.12 0.07 0.00 0.03 0.00 0.00 46.19 42.02 2g45 s LEU 73 CO 0.14 -0.20 0.66 0.00 0.23 0.00 0.00 176.35 177.17 2g45 s ARG 74 N -2.84 1.11 0.89 1.70 1.70 -1.26 -5.17 118.95 115.08 2g45 s ARG 74 Ca 0.54 0.08 -0.15 0.00 -0.47 0.00 0.00 55.73 55.73 2g45 s ARG 74 Cb -0.11 0.52 0.21 0.00 -0.57 0.00 0.00 34.95 35.00 2g45 s ARG 74 CO 0.17 -0.39 1.02 0.41 -1.08 0.00 0.00 175.30 175.43 2g45 n GLY 75 N 0.59 -1.96 3.06 3.88 0.00 -1.26 -5.28 105.19 104.22 2g45 n GLY 75 Ca -0.19 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2g45 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93