#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8b s GLN 2 N 0.00 3.79 0.21 3.17 0.74 -1.26 -2.15 119.66 124.15 2k8b s GLN 2 Ca 0.00 -0.41 0.05 0.00 0.05 0.00 0.00 55.36 55.05 2k8b s GLN 2 Cb 0.00 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2k8b s GLN 2 CO 0.00 -0.14 0.23 0.96 -0.55 0.00 0.00 175.29 175.79 2k8b s ILE 3 N 1.55 4.80 -0.37 -2.34 -0.00 -0.30 -3.64 121.20 120.91 2k8b s ILE 3 Ca 0.06 -1.09 -0.06 0.00 -0.00 0.00 0.00 60.65 59.57 2k8b s ILE 3 Cb -0.15 -3.54 0.07 0.00 -0.00 0.00 0.00 42.46 38.84 2k8b s ILE 3 CO 0.06 -0.23 0.15 -0.36 -0.00 0.00 0.00 174.94 174.56 2k8b s PHE 4 N -1.92 3.35 -0.27 1.37 0.40 -0.89 -2.22 117.98 117.80 2k8b s PHE 4 Ca 0.33 -1.75 -0.12 0.00 -0.60 0.00 0.00 56.93 54.79 2k8b s PHE 4 Cb -0.09 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.76 2k8b s PHE 4 CO 0.26 -0.83 0.24 0.54 0.70 0.00 0.00 175.22 176.14 2k8b s VAL 5 N 1.33 5.28 -0.27 -0.44 0.11 -0.66 -0.66 120.40 125.09 2k8b s VAL 5 Ca 0.01 0.30 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 2k8b s VAL 5 Cb -0.21 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 2k8b s VAL 5 CO 0.00 0.24 0.55 -0.75 -3.33 0.00 0.00 175.10 171.81 2k8b s LYS 6 N 1.69 4.05 0.80 1.54 2.20 0.16 -0.73 119.74 129.44 2k8b s LYS 6 Ca 0.10 0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.94 2k8b s LYS 6 Cb -0.15 -3.66 0.07 0.00 -1.51 0.00 0.00 37.83 32.57 2k8b s LYS 6 CO 0.09 -0.39 1.13 0.99 -0.36 0.00 0.00 175.35 176.82 2k8b s THR 7 N 2.38 2.61 0.21 3.43 2.01 0.21 -0.45 115.64 126.03 2k8b s THR 7 Ca 0.22 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 2k8b s THR 7 Cb -0.16 -3.11 0.15 0.00 0.01 0.00 0.00 72.50 69.40 2k8b s THR 7 CO 0.09 -0.26 1.72 0.25 -0.69 0.00 0.00 174.62 175.73 2k8b h LEU 8 N -1.03 0.08 0.00 4.42 5.85 -1.84 0.17 115.31 122.95 2k8b h LEU 8 Ca -0.47 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k8b h LEU 8 Cb 1.30 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2k8b h LEU 8 CO 0.63 0.05 0.00 1.07 -0.34 0.00 0.00 178.44 179.85 2k8b n THR 9 N -5.08 0.00 -0.96 1.05 5.66 -1.26 -4.79 114.28 108.90 2k8b n THR 9 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2k8b n THR 9 Cb 0.31 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 2k8b n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8b n GLY 10 N 0.19 0.63 3.78 1.09 0.00 0.05 -5.05 105.19 105.89 2k8b n GLY 10 Ca 0.09 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2k8b n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8b s LYS 11 N -2.01 4.34 -0.31 1.61 2.20 -1.23 -4.82 119.74 119.52 2k8b s LYS 11 Ca 0.00 0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 56.38 2k8b s LYS 11 Cb 0.00 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2k8b s LYS 11 CO 0.00 0.50 0.13 0.99 -0.36 0.00 0.00 175.35 176.62 2k8b s THR 12 N -0.71 4.41 -0.15 3.43 2.01 -1.26 0.65 115.64 124.01 2k8b s THR 12 Ca 0.32 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2k8b s THR 12 Cb -0.20 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2k8b s THR 12 CO 0.20 0.05 0.05 -0.63 -0.69 0.00 0.00 174.62 173.60 2k8b s ILE 13 N 1.57 4.69 -0.50 1.82 1.01 0.10 -4.95 121.20 124.94 2k8b s ILE 13 Ca 0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 2k8b s ILE 13 Cb -0.17 -3.07 0.08 0.00 0.01 0.00 0.00 42.46 39.31 2k8b s ILE 13 CO 0.05 0.52 0.52 0.42 0.00 0.00 0.00 174.94 176.45 2k8b s THR 14 N -0.12 5.07 -0.14 2.92 -4.23 -1.26 -1.66 115.64 116.21 2k8b s THR 14 Ca 0.06 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 2k8b s THR 14 Cb -0.12 -4.25 -0.03 0.00 1.34 0.00 0.00 72.50 69.44 2k8b s THR 14 CO 0.01 -0.75 -0.03 -0.76 -0.54 0.00 0.00 174.62 172.56 2k8b s LEU 15 N 2.08 3.32 -0.25 4.79 2.01 -0.94 -4.99 118.68 124.70 2k8b s LEU 15 Ca 0.08 -0.08 -0.05 0.00 0.01 0.00 0.00 54.13 54.10 2k8b s LEU 15 Cb -0.23 -1.79 -0.00 0.00 0.01 0.00 0.00 46.19 44.17 2k8b s LEU 15 CO 0.08 0.21 0.01 -1.83 1.01 0.00 0.00 176.35 175.83 2k8b s GLU 16 N 0.14 3.26 0.04 1.70 1.03 -1.26 -1.14 118.70 122.47 2k8b s GLU 16 Ca -0.01 -0.72 -0.04 0.00 0.03 0.00 0.00 54.97 54.23 2k8b s GLU 16 Cb -0.13 -3.18 -0.02 0.00 -0.80 0.00 0.00 34.13 30.00 2k8b s GLU 16 CO 0.03 -0.30 0.07 0.14 -1.33 0.00 0.00 175.26 173.86 2k8b s VAL 17 N 1.49 0.15 0.66 1.83 -7.23 -0.91 -5.01 120.40 111.37 2k8b s VAL 17 Ca 0.04 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2k8b s VAL 17 Cb -0.16 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 2k8b s VAL 17 CO -0.00 -0.68 1.04 -1.61 -0.31 0.00 0.00 175.10 173.54 2k8b s GLU 18 N -2.88 3.29 0.42 4.82 0.41 -1.26 0.13 118.70 123.63 2k8b s GLU 18 Ca -0.03 0.83 0.14 0.00 -0.41 0.00 0.00 54.97 55.50 2k8b s GLU 18 Cb 0.00 -2.04 0.90 0.00 -1.78 0.00 0.00 34.13 31.22 2k8b s GLU 18 CO -0.06 -0.81 1.93 -1.00 -0.49 0.00 0.00 175.26 174.83 2k8b h PRO 19 N -0.50 0.01 -0.00 0.39 0.13 -2.02 -1.15 132.00 128.86 2k8b h PRO 19 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k8b h PRO 19 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k8b h PRO 19 CO 0.60 0.25 -0.10 0.43 -0.23 0.00 0.00 178.00 178.95 2k8b n SER 20 N -4.25 0.36 -4.60 1.44 7.64 -1.26 -3.80 113.62 109.15 2k8b n SER 20 Ca -0.02 -0.42 -0.43 0.00 1.01 0.00 0.00 58.87 59.01 2k8b n SER 20 Cb 0.30 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 2k8b n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8b s ASP 21 N -2.55 6.33 0.62 6.43 1.01 -0.44 -4.98 116.67 123.09 2k8b s ASP 21 Ca 0.27 0.77 -0.18 0.00 0.71 0.00 0.00 52.55 54.13 2k8b s ASP 21 Cb 0.20 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2k8b s ASP 21 CO 0.49 -1.45 1.22 0.42 0.21 0.00 0.00 175.17 176.05 2k8b s THR 22 N 5.46 2.52 0.52 -1.27 -4.23 -1.26 -4.44 115.64 112.93 2k8b s THR 22 Ca 0.60 0.31 0.28 0.00 -1.18 0.00 0.00 61.69 61.70 2k8b s THR 22 Cb -0.13 -3.07 0.45 0.00 1.34 0.00 0.00 72.50 71.08 2k8b s THR 22 CO 0.32 -0.08 1.91 0.40 -0.54 0.00 0.00 174.62 176.63 2k8b h ILE 23 N 0.64 0.62 -0.69 2.99 1.08 -1.07 0.17 117.51 121.25 2k8b h ILE 23 Ca -0.50 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2k8b h ILE 23 Cb 1.30 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 2k8b h ILE 23 CO 0.54 0.01 0.45 1.05 -0.69 0.00 0.00 178.15 179.52 2k8b h GLU 24 N 0.07 0.81 0.07 2.37 4.11 -1.80 0.77 114.58 120.97 2k8b h GLU 24 Ca 0.39 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.53 2k8b h GLU 24 Cb 1.44 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k8b h GLU 24 CO -0.03 0.53 -1.12 -0.97 0.07 0.00 0.00 179.01 177.49 2k8b h ASN 25 N 0.83 0.22 -0.37 3.06 -1.24 -1.00 -2.71 115.58 114.37 2k8b h ASN 25 Ca 0.27 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 2k8b h ASN 25 Cb 0.06 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2k8b h ASN 25 CO -0.08 1.18 0.12 0.58 -1.29 0.00 0.00 177.43 177.94 2k8b h VAL 26 N 0.04 1.21 -0.39 2.57 2.07 -0.91 0.76 116.25 121.60 2k8b h VAL 26 Ca -0.07 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2k8b h VAL 26 Cb 1.87 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2k8b h VAL 26 CO 0.17 0.23 0.10 0.11 0.02 0.00 0.00 177.57 178.20 2k8b h LYS 27 N 0.44 0.57 -0.27 1.57 1.57 -0.92 -1.80 116.57 117.74 2k8b h LYS 27 Ca 0.12 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 2k8b h LYS 27 Cb 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k8b h LYS 27 CO -0.01 0.52 -0.53 0.00 -0.57 0.00 0.00 179.45 178.87 2k8b h ALA 28 N 1.55 0.55 -0.41 3.86 0.00 -1.10 -2.73 119.26 120.99 2k8b h ALA 28 Ca 0.13 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2k8b h ALA 28 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k8b h ALA 28 CO -0.00 0.68 -0.03 -0.22 0.00 0.00 0.00 179.25 179.68 2k8b h LYS 29 N 0.61 0.67 -0.02 0.00 3.64 -0.31 -1.89 116.57 119.27 2k8b h LYS 29 Ca 0.02 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2k8b h LYS 29 Cb 1.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2k8b h LYS 29 CO 0.11 0.70 -0.45 0.82 -2.27 0.00 0.00 179.45 178.37 2k8b h ILE 30 N 0.62 1.32 -0.08 2.00 2.04 -1.27 -2.52 117.51 119.63 2k8b h ILE 30 Ca 0.12 -1.55 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 2k8b h ILE 30 Cb 0.43 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2k8b h ILE 30 CO 0.02 0.44 -0.30 -0.61 0.00 0.00 0.00 178.15 177.70 2k8b h GLN 31 N 0.03 0.14 -0.00 2.37 4.15 -1.03 0.43 115.11 121.20 2k8b h GLN 31 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2k8b h GLN 31 Cb 0.80 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2k8b h GLN 31 CO 0.06 0.44 -0.25 -3.47 -1.93 0.00 0.00 178.83 173.67 2k8b n ASP 32 N -4.14 0.40 -0.01 -0.69 2.03 -0.98 -2.39 116.55 110.77 2k8b n ASP 32 Ca -0.01 -0.17 -0.04 0.00 0.52 0.00 0.00 54.79 55.08 2k8b n ASP 32 Cb 0.38 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.72 2k8b n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k8b n LYS 33 N -1.31 0.20 0.08 -0.67 5.02 -0.87 -4.78 118.16 115.83 2k8b n LYS 33 Ca 0.08 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 2k8b n LYS 33 Cb 0.32 -0.84 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 2k8b n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2k8b h GLU 34 N -0.37 0.00 0.00 1.97 4.39 -0.37 -3.48 114.58 116.73 2k8b h GLU 34 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k8b h GLU 34 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2k8b h GLU 34 CO -0.02 0.41 0.00 0.41 -1.16 0.00 0.00 179.01 178.64 2k8b n GLY 35 N 1.32 0.75 3.56 -3.84 0.00 -1.01 -5.01 105.19 100.97 2k8b n GLY 35 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2k8b n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k8b s ILE 36 N -2.32 4.86 0.76 -0.61 1.01 -1.25 -4.91 121.20 118.74 2k8b s ILE 36 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 2k8b s ILE 36 Cb 0.00 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.42 2k8b s ILE 36 CO 0.00 -0.37 1.12 -2.16 0.00 0.00 0.00 174.94 173.53 2k8b s PRO 37 N 2.77 2.18 0.57 2.79 0.04 -1.26 -3.14 135.00 138.94 2k8b s PRO 37 Ca 0.25 1.36 0.27 0.00 0.04 0.00 0.00 61.00 62.92 2k8b s PRO 37 Cb -0.14 -1.88 1.52 0.00 0.04 0.00 0.00 34.50 34.04 2k8b s PRO 37 CO 0.16 -1.73 2.01 -1.00 0.04 0.00 0.00 177.00 176.48 2k8b h PRO 38 N -0.85 0.00 -0.83 0.56 0.13 -1.92 -0.89 132.00 128.20 2k8b h PRO 38 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2k8b h PRO 38 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2k8b h PRO 38 CO 0.50 0.00 0.55 -0.44 -0.23 0.00 0.00 178.00 178.38 2k8b h ASP 39 N 0.00 0.93 -0.11 1.44 3.32 -1.96 -2.42 116.42 117.63 2k8b h ASP 39 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2k8b h ASP 39 Cb 0.84 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2k8b h ASP 39 CO -0.00 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.18 2k8b n GLN 40 N -4.42 1.47 -2.43 3.56 6.02 -0.46 -4.79 117.38 116.34 2k8b n GLN 40 Ca 0.10 -1.59 -0.43 0.00 -0.01 0.00 0.00 57.00 55.07 2k8b n GLN 40 Cb 0.05 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2k8b n GLN 40 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2k8b n GLN 41 N 0.88 3.22 -3.14 -1.09 -0.06 -0.51 -4.58 117.38 112.09 2k8b n GLN 41 Ca 0.10 -3.29 -0.45 0.00 -2.00 0.00 0.00 57.00 51.36 2k8b n GLN 41 Cb 0.41 -3.26 -0.03 0.00 -4.06 0.00 0.00 30.24 23.30 2k8b n GLN 41 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2k8b s ARG 42 N 2.82 3.50 -0.29 3.69 3.52 -1.26 -4.93 118.95 126.00 2k8b s ARG 42 Ca 0.48 -2.00 -0.24 0.00 -0.13 0.00 0.00 55.73 53.84 2k8b s ARG 42 Cb 0.06 -4.58 -0.00 0.00 -1.56 0.00 0.00 34.95 28.87 2k8b s ARG 42 CO 0.01 -1.51 0.81 -0.51 -0.81 0.00 0.00 175.30 173.29 2k8b s LEU 43 N 1.54 4.07 -0.18 -0.88 1.43 -1.26 -2.10 118.68 121.30 2k8b s LEU 43 Ca 0.22 0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2k8b s LEU 43 Cb -0.11 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2k8b s LEU 43 CO -0.06 -0.60 -0.01 -0.63 0.23 0.00 0.00 176.35 175.28 2k8b s ILE 44 N 2.96 4.05 -0.03 -0.59 1.01 0.11 -0.85 121.20 127.86 2k8b s ILE 44 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2k8b s ILE 44 Cb -0.14 -2.81 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2k8b s ILE 44 CO 0.11 0.46 -0.00 0.12 0.00 0.00 0.00 174.94 175.63 2k8b s PHE 45 N 0.65 0.36 -1.93 3.97 5.36 0.14 -1.14 117.98 125.39 2k8b s PHE 45 Ca -0.01 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 2k8b s PHE 45 Cb -0.14 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.09 2k8b s PHE 45 CO 0.02 -0.15 0.00 0.00 -1.46 0.00 0.00 175.22 173.63 2k8b n ALA 46 N 4.22 -0.39 -0.42 11.12 0.00 -1.26 -1.52 120.51 132.26 2k8b n ALA 46 Ca -0.25 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k8b n ALA 46 Cb 0.50 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2k8b n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8b n GLY 47 N -0.73 0.73 3.15 0.00 0.00 -1.26 -5.05 105.19 102.04 2k8b n GLY 47 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2k8b n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8b s LYS 48 N -0.58 0.77 0.20 1.61 2.47 -0.58 -5.13 119.74 118.52 2k8b s LYS 48 Ca 0.00 -0.93 -0.23 0.00 -1.56 0.00 0.00 55.97 53.24 2k8b s LYS 48 Cb 0.00 -0.71 -0.08 0.00 -1.46 0.00 0.00 37.83 35.58 2k8b s LYS 48 CO 0.00 0.15 0.78 1.14 0.16 0.00 0.00 175.35 177.58 2k8b s GLN 49 N -1.78 4.46 -0.34 4.03 -2.07 -1.26 0.28 119.66 122.98 2k8b s GLN 49 Ca -0.03 1.08 -0.29 0.00 -1.82 0.00 0.00 55.36 54.30 2k8b s GLN 49 Cb -0.10 -3.08 0.02 0.00 -1.09 0.00 0.00 33.01 28.76 2k8b s GLN 49 CO 0.02 0.48 1.09 -0.51 -1.32 0.00 0.00 175.29 175.05 2k8b s LEU 50 N -1.53 3.90 0.49 2.60 1.43 -0.03 -4.91 118.68 120.62 2k8b s LEU 50 Ca 0.40 1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 54.29 2k8b s LEU 50 Cb -0.20 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2k8b s LEU 50 CO 0.24 -0.93 1.04 -1.61 0.23 0.00 0.00 176.35 175.33 2k8b s GLU 51 N 3.76 3.78 0.38 1.70 2.02 -1.26 -4.79 118.70 124.29 2k8b s GLU 51 Ca 0.46 1.38 0.06 0.00 0.02 0.00 0.00 54.97 56.89 2k8b s GLU 51 Cb -0.12 -2.09 0.76 0.00 0.10 0.00 0.00 34.13 32.78 2k8b s GLU 51 CO 0.17 -0.45 1.97 0.38 0.02 0.00 0.00 175.26 177.35 2k8b h ASP 52 N 1.54 0.44 -0.37 -0.19 3.04 -1.95 -2.73 116.42 116.19 2k8b h ASP 52 Ca -0.50 -0.05 -0.24 0.00 -3.24 0.00 0.00 57.03 53.00 2k8b h ASP 52 Cb 1.22 -0.11 -0.11 0.00 -1.04 0.00 0.00 39.33 39.29 2k8b h ASP 52 CO 0.59 0.43 0.31 0.61 -2.04 0.00 0.00 179.24 179.14 2k8b n GLY 53 N -1.16 3.62 3.12 7.15 0.00 -1.26 -3.07 105.19 113.59 2k8b n GLY 53 Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2k8b n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k8b s ARG 54 N -1.40 0.69 0.51 1.61 1.81 -1.03 -5.03 118.95 116.11 2k8b s ARG 54 Ca 0.24 -1.20 0.03 0.00 -1.72 0.00 0.00 55.73 53.07 2k8b s ARG 54 Cb 0.19 -0.03 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 2k8b s ARG 54 CO 0.00 -0.05 0.21 0.25 -0.68 0.00 0.00 175.30 175.04 2k8b n THR 55 N 0.24 0.00 0.17 0.02 -2.24 -1.26 -0.87 114.28 110.33 2k8b n THR 55 Ca -0.14 -2.20 0.02 0.00 -2.27 0.00 0.00 64.05 59.46 2k8b n THR 55 Cb 0.60 0.19 0.30 0.00 -2.10 0.00 0.00 70.33 69.31 2k8b n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k8b h LEU 56 N 0.00 0.00 -0.55 3.22 3.38 -1.78 -2.62 115.31 116.97 2k8b h LEU 56 Ca -0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2k8b h LEU 56 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2k8b h LEU 56 CO 0.59 0.46 -0.21 0.28 0.09 0.00 0.00 178.44 179.66 2k8b h SER 57 N 0.00 0.00 -0.69 -0.43 0.02 -1.87 -0.30 113.55 110.28 2k8b h SER 57 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2k8b h SER 57 Cb 0.87 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 2k8b h SER 57 CO 0.06 0.21 0.46 0.44 -1.14 0.00 0.00 176.83 176.85 2k8b h ASP 58 N 0.00 0.79 -0.52 3.07 5.19 -1.85 -1.71 116.42 121.39 2k8b h ASP 58 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2k8b h ASP 58 Cb 0.96 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2k8b h ASP 58 CO 0.03 0.57 0.00 -1.22 -3.12 0.00 0.00 179.24 175.50 2k8b n TYR 59 N -4.43 0.82 -3.68 4.55 4.02 -1.21 -4.96 117.16 112.26 2k8b n TYR 59 Ca 0.07 -0.54 -0.21 0.00 -0.01 0.00 0.00 57.90 57.21 2k8b n TYR 59 Cb 0.04 -0.07 0.04 0.00 -0.02 0.00 0.00 39.34 39.33 2k8b n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k8b n ASN 60 N 0.94 -1.31 -4.70 7.72 2.85 -0.64 -4.92 115.26 115.20 2k8b n ASN 60 Ca 0.19 -0.80 -0.42 0.00 -0.11 0.00 0.00 54.58 53.44 2k8b n ASN 60 Cb 0.59 -4.16 -0.03 0.00 1.24 0.00 0.00 39.78 37.42 2k8b n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k8b s ILE 61 N -3.63 4.85 0.48 -1.44 1.01 -0.13 -5.02 121.20 117.31 2k8b s ILE 61 Ca 0.01 2.03 0.08 0.00 0.00 0.00 0.00 60.65 62.77 2k8b s ILE 61 Cb -0.01 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.19 2k8b s ILE 61 CO 0.80 0.12 0.65 -1.10 0.00 0.00 0.00 174.94 175.42 2k8b s GLN 62 N 1.28 2.64 0.68 2.79 -1.52 -1.26 -4.79 119.66 119.49 2k8b s GLN 62 Ca 0.50 -1.30 -0.14 0.00 -1.95 0.00 0.00 55.36 52.47 2k8b s GLN 62 Cb -0.20 -2.70 0.01 0.00 -0.22 0.00 0.00 33.01 29.90 2k8b s GLN 62 CO 0.25 -0.49 1.11 -1.59 -0.25 0.00 0.00 175.29 174.32 2k8b s LYS 63 N -4.49 2.66 -1.30 2.91 0.00 -1.26 -3.47 119.74 114.79 2k8b s LYS 63 Ca 0.57 1.39 -0.05 0.00 0.00 0.00 0.00 55.97 57.88 2k8b s LYS 63 Cb -0.09 -1.93 0.01 0.00 0.00 0.00 0.00 37.83 35.81 2k8b s LYS 63 CO 0.35 -1.36 0.69 0.39 0.00 0.00 0.00 175.35 175.43 2k8b n GLU 64 N -2.61 -5.15 -2.71 1.78 1.02 -1.24 -4.97 120.64 106.76 2k8b n GLU 64 Ca 0.10 0.77 -0.36 0.00 -0.02 0.00 0.00 57.16 57.65 2k8b n GLU 64 Cb 0.52 -5.43 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 2k8b n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k8b s SER 65 N -2.92 7.12 -0.81 1.62 1.04 -1.23 -4.86 113.70 113.67 2k8b s SER 65 Ca 0.34 1.89 -0.17 0.00 0.48 0.00 0.00 55.95 58.49 2k8b s SER 65 Cb -0.15 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.55 2k8b s SER 65 CO 0.43 -0.23 0.88 -0.89 0.98 0.00 0.00 173.24 174.42 2k8b s THR 66 N -1.68 5.10 0.42 2.02 2.01 -1.26 -2.11 115.64 120.14 2k8b s THR 66 Ca 0.54 -1.80 -0.10 0.00 0.31 0.00 0.00 61.69 60.63 2k8b s THR 66 Cb -0.19 -4.59 -0.06 0.00 0.01 0.00 0.00 72.50 67.67 2k8b s THR 66 CO 0.24 -1.23 0.78 -0.76 -0.69 0.00 0.00 174.62 172.96 2k8b s LEU 67 N 1.68 3.80 -0.15 4.42 1.02 0.17 -4.79 118.68 124.83 2k8b s LEU 67 Ca 0.22 1.13 -0.00 0.00 0.02 0.00 0.00 54.13 55.50 2k8b s LEU 67 Cb -0.11 -4.02 0.03 0.00 0.02 0.00 0.00 46.19 42.10 2k8b s LEU 67 CO -0.06 -0.42 -0.09 -1.00 0.02 0.00 0.00 176.35 174.80 2k8b s HIS 68 N -2.41 1.85 -0.50 0.29 3.76 -0.29 0.35 115.29 118.34 2k8b s HIS 68 Ca 0.51 -1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.17 2k8b s HIS 68 Cb -0.10 -1.41 0.06 0.00 1.11 0.00 0.00 32.58 32.24 2k8b s HIS 68 CO 0.32 -0.61 0.57 -1.17 -0.85 0.00 0.00 174.74 173.01 2k8b s LEU 69 N 1.59 5.11 -0.07 0.89 2.96 0.40 0.10 118.68 129.65 2k8b s LEU 69 Ca 0.03 -1.00 0.04 0.00 -0.22 0.00 0.00 54.13 52.98 2k8b s LEU 69 Cb -0.14 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 2k8b s LEU 69 CO -0.09 -0.84 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.23 2k8b s VAL 70 N 2.41 2.67 0.49 1.68 1.01 -0.89 -2.84 120.40 124.93 2k8b s VAL 70 Ca 0.13 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 2k8b s VAL 70 Cb -0.20 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 2k8b s VAL 70 CO 0.11 0.57 1.23 -0.76 0.00 0.00 0.00 175.10 176.25 2k8b s LEU 71 N -0.26 3.95 0.83 3.92 1.43 -1.26 -4.05 118.68 123.24 2k8b s LEU 71 Ca 0.01 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 2k8b s LEU 71 Cb -0.13 -4.25 0.10 0.00 0.03 0.00 0.00 46.19 41.93 2k8b s LEU 71 CO 0.03 -1.15 1.13 0.00 0.23 0.00 0.00 176.35 176.58 2k8b s ARG 72 N -2.77 1.66 -0.18 1.70 1.70 -1.26 -5.00 118.95 114.80 2k8b s ARG 72 Ca 0.66 1.42 -0.06 0.00 -0.47 0.00 0.00 55.73 57.29 2k8b s ARG 72 Cb -0.33 -1.81 -0.09 0.00 -0.57 0.00 0.00 34.95 32.15 2k8b s ARG 72 CO 0.39 -2.13 -0.21 -0.11 -1.08 0.00 0.00 175.30 172.16 2k8b n LEU 73 N -3.75 1.92 -4.26 -1.89 7.94 -1.26 -5.01 117.00 110.70 2k8b n LEU 73 Ca 0.11 0.11 -0.30 0.00 -1.11 0.00 0.00 56.01 54.82 2k8b n LEU 73 Cb 0.52 -0.58 -0.16 0.00 0.53 0.00 0.00 43.42 43.73 2k8b n LEU 73 CO 0.51 0.54 -0.55 -0.13 -1.11 0.00 0.00 177.39 176.64 2k8b s ARG 74 N -2.35 2.18 -0.13 1.96 0.52 -1.26 -5.05 118.95 114.82 2k8b s ARG 74 Ca -0.25 -0.85 -0.23 0.00 -0.52 0.00 0.00 55.73 53.87 2k8b s ARG 74 Cb 0.09 -1.97 -0.21 0.00 0.52 0.00 0.00 34.95 33.38 2k8b s ARG 74 CO 0.36 0.43 0.62 0.78 0.02 0.00 0.00 175.30 177.51 2k8b h GLY 75 N 5.82 0.00 0.00 -3.53 0.00 -2.02 -3.54 103.07 99.80 2k8b h GLY 75 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2k8b h GLY 75 CO 0.47 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.62