#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 3.06 0.28 3.17 0.74 -1.26 -1.00 119.66 124.65 2k8b s GLN 2 Ca 0.00 -0.83 0.12 0.00 0.05 0.00 0.00 55.36 54.70 2k8b s GLN 2 Cb 0.00 -2.50 -0.05 0.00 1.10 0.00 0.00 33.01 31.56 2k8b s GLN 2 CO 0.00 -0.03 -0.18 0.96 -0.55 0.00 0.00 175.29 175.49 2k8b s ILE 3 N 0.88 2.58 -0.24 -2.34 -0.00 -0.96 -2.53 121.20 118.58 2k8b s ILE 3 Ca -0.05 -2.35 -0.05 0.00 -0.00 0.00 0.00 60.65 58.19 2k8b s ILE 3 Cb -0.15 -2.35 -0.01 0.00 -0.00 0.00 0.00 42.46 39.95 2k8b s ILE 3 CO -0.03 -0.39 0.00 -0.36 -0.00 0.00 0.00 174.94 174.16 2k8b s PHE 4 N -2.48 3.03 -0.25 1.37 0.08 -0.54 -2.62 117.98 116.57 2k8b s PHE 4 Ca 0.30 -0.85 -0.08 0.00 0.12 0.00 0.00 56.93 56.42 2k8b s PHE 4 Cb -0.05 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2k8b s PHE 4 CO 0.15 -0.52 0.08 0.54 -0.10 0.00 0.00 175.22 175.38 2k8b s VAL 5 N 1.51 4.48 -0.41 -0.44 0.11 -0.81 -0.31 120.40 124.53 2k8b s VAL 5 Ca 0.05 -0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.71 2k8b s VAL 5 Cb -0.15 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2k8b s VAL 5 CO -0.01 0.34 1.01 -0.54 -3.33 0.00 0.00 175.10 172.57 2k8b s LYS 6 N 1.51 3.79 0.53 1.54 1.02 0.91 -2.06 119.74 126.99 2k8b s LYS 6 Ca 0.06 0.59 -0.17 0.00 0.02 0.00 0.00 55.97 56.47 2k8b s LYS 6 Cb -0.15 -3.84 -0.07 0.00 -0.52 0.00 0.00 37.83 33.25 2k8b s LYS 6 CO 0.04 -1.11 1.02 0.99 -0.92 0.00 0.00 175.35 175.37 2k8b s THR 7 N 3.83 4.15 0.38 2.17 2.01 0.17 -0.38 115.64 127.97 2k8b s THR 7 Ca 0.42 1.10 0.11 0.00 0.31 0.00 0.00 61.69 63.63 2k8b s THR 7 Cb -0.10 -3.55 0.33 0.00 0.01 0.00 0.00 72.50 69.19 2k8b s THR 7 CO 0.23 -0.52 1.88 0.25 -0.69 0.00 0.00 174.62 175.77 2k8b h LEU 8 N 0.95 0.58 -0.64 4.42 5.85 -1.76 0.87 115.31 125.57 2k8b h LEU 8 Ca -0.47 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2k8b h LEU 8 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k8b h LEU 8 CO 0.60 0.29 0.00 1.07 -0.34 0.00 0.00 178.44 180.05 2k8b n THR 9 N -4.54 0.16 -2.51 1.05 5.66 -1.26 -4.85 114.28 108.00 2k8b n THR 9 Ca 0.17 -0.11 -0.06 0.00 -3.05 0.00 0.00 64.05 61.00 2k8b n THR 9 Cb 0.50 -0.16 0.03 0.00 -1.55 0.00 0.00 70.33 69.15 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 0.40 0.14 3.34 1.09 0.00 0.30 -5.06 105.19 105.39 2k8b n GLY 10 Ca 0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.44 1.29 -0.35 1.61 2.20 -1.20 -4.91 119.74 113.94 2k8b s LYS 11 Ca 0.01 -1.24 -0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2k8b s LYS 11 Cb -0.00 -1.66 0.08 0.00 -1.51 0.00 0.00 37.83 34.74 2k8b s LYS 11 CO 0.27 0.39 0.09 0.99 -0.36 0.00 0.00 175.35 176.73 2k8b s THR 12 N -1.09 2.92 -0.12 3.43 2.01 -1.26 0.46 115.64 121.99 2k8b s THR 12 Ca 0.10 -1.86 -0.10 0.00 0.31 0.00 0.00 61.69 60.14 2k8b s THR 12 Cb -0.10 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2k8b s THR 12 CO 0.05 -0.44 0.20 -0.63 -0.69 0.00 0.00 174.62 173.12 2k8b s ILE 13 N 1.13 5.38 -0.30 1.82 1.01 -0.87 -4.93 121.20 124.44 2k8b s ILE 13 Ca 0.03 0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 2k8b s ILE 13 Cb -0.21 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2k8b s ILE 13 CO -0.04 0.56 0.24 -0.89 0.00 0.00 0.00 174.94 174.81 2k8b s THR 14 N -0.65 5.27 -0.08 2.92 2.01 -1.26 -1.92 115.64 121.94 2k8b s THR 14 Ca 0.16 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2k8b s THR 14 Cb -0.13 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2k8b s THR 14 CO 0.05 0.12 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.15 2k8b s LEU 15 N 1.81 2.45 -0.28 4.42 2.01 -1.08 -5.01 118.68 123.00 2k8b s LEU 15 Ca 0.08 -0.37 -0.09 0.00 0.01 0.00 0.00 54.13 53.76 2k8b s LEU 15 Cb -0.16 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.52 2k8b s LEU 15 CO 0.11 0.25 0.12 -1.83 1.01 0.00 0.00 176.35 176.01 2k8b s GLU 16 N -0.15 3.55 -0.12 1.70 1.03 -1.26 -2.28 118.70 121.16 2k8b s GLU 16 Ca -0.02 -0.57 -0.09 0.00 0.03 0.00 0.00 54.97 54.32 2k8b s GLU 16 Cb -0.14 -3.47 0.04 0.00 -0.80 0.00 0.00 34.13 29.76 2k8b s GLU 16 CO 0.04 -0.29 0.31 0.14 -1.33 0.00 0.00 175.26 174.13 2k8b s VAL 17 N 1.63 -0.01 0.65 1.83 -7.23 -0.17 -4.97 120.40 112.12 2k8b s VAL 17 Ca 0.06 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.18 2k8b s VAL 17 Cb -0.16 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2k8b s VAL 17 CO 0.06 0.02 1.03 -1.61 -0.31 0.00 0.00 175.10 174.29 2k8b s GLU 18 N 0.67 3.15 0.64 4.82 0.41 -1.26 0.67 118.70 127.80 2k8b s GLU 18 Ca -0.04 0.48 0.42 0.00 -0.41 0.00 0.00 54.97 55.42 2k8b s GLU 18 Cb -0.05 -2.10 2.23 0.00 -1.78 0.00 0.00 34.13 32.43 2k8b s GLU 18 CO -0.04 -0.78 2.29 -1.00 -0.49 0.00 0.00 175.26 175.23 2k8b h PRO 19 N -0.42 0.00 0.00 0.39 0.13 -2.00 0.71 132.00 130.81 2k8b h PRO 19 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k8b h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k8b h PRO 19 CO 0.63 0.00 -0.28 -1.13 -0.23 0.00 0.00 178.00 176.98 2k8b n SER 20 N -3.04 0.30 -4.63 1.44 3.41 -1.26 -4.40 113.62 105.43 2k8b n SER 20 Ca -0.02 0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 2k8b n SER 20 Cb 0.10 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2k8b n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k8b s ASP 21 N -3.07 6.87 0.63 4.04 1.01 0.24 -5.03 116.67 121.37 2k8b s ASP 21 Ca 0.12 0.96 -0.15 0.00 0.71 0.00 0.00 52.55 54.19 2k8b s ASP 21 Cb 0.18 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2k8b s ASP 21 CO 0.63 -0.84 1.06 0.42 0.21 0.00 0.00 175.17 176.65 2k8b s THR 22 N 3.54 3.77 0.46 -1.27 -4.23 -1.26 -4.36 115.64 112.29 2k8b s THR 22 Ca 0.43 0.78 0.20 0.00 -1.18 0.00 0.00 61.69 61.92 2k8b s THR 22 Cb -0.12 -3.34 0.39 0.00 1.34 0.00 0.00 72.50 70.77 2k8b s THR 22 CO 0.15 -0.56 1.92 0.40 -0.54 0.00 0.00 174.62 175.99 2k8b h ILE 23 N 0.12 0.72 -0.86 2.99 1.08 -1.16 0.80 117.51 121.21 2k8b h ILE 23 Ca -0.46 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2k8b h ILE 23 Cb 1.22 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 2k8b h ILE 23 CO 0.57 0.05 0.55 1.05 -0.69 0.00 0.00 178.15 179.67 2k8b h GLU 24 N 0.26 1.15 -0.02 2.37 4.11 -1.70 -0.19 114.58 120.56 2k8b h GLU 24 Ca 0.37 -0.08 -0.20 0.00 0.07 0.00 0.00 59.36 59.52 2k8b h GLU 24 Cb 1.07 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2k8b h GLU 24 CO -0.09 0.78 -0.84 -0.97 0.07 0.00 0.00 179.01 177.96 2k8b h ASN 25 N 1.18 0.36 -0.02 3.06 -1.24 -1.20 -2.56 115.58 115.15 2k8b h ASN 25 Ca 0.31 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 2k8b h ASN 25 Cb -0.10 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 2k8b h ASN 25 CO -0.06 1.05 0.01 0.58 -1.29 0.00 0.00 177.43 177.72 2k8b h VAL 26 N 0.17 1.05 -0.34 2.57 2.07 -0.65 -1.56 116.25 119.56 2k8b h VAL 26 Ca -0.05 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2k8b h VAL 26 Cb 1.45 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2k8b h VAL 26 CO 0.14 0.04 0.00 0.11 0.02 0.00 0.00 177.57 177.87 2k8b h LYS 27 N -0.02 0.52 -0.71 1.57 1.57 -1.07 -2.31 116.57 116.11 2k8b h LYS 27 Ca 0.01 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2k8b h LYS 27 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2k8b h LYS 27 CO -0.00 0.54 0.23 0.00 -0.57 0.00 0.00 179.45 179.66 2k8b h ALA 28 N 1.51 1.07 -0.64 3.86 0.00 -1.07 -1.75 119.26 122.23 2k8b h ALA 28 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k8b h ALA 28 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k8b h ALA 28 CO 0.01 0.64 0.32 0.87 0.00 0.00 0.00 179.25 181.08 2k8b h LYS 29 N 1.05 0.92 -0.43 0.00 1.57 -0.74 -2.13 116.57 116.81 2k8b h LYS 29 Ca 0.23 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2k8b h LYS 29 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2k8b h LYS 29 CO -0.01 0.73 0.02 0.82 -0.57 0.00 0.00 179.45 180.44 2k8b h ILE 30 N 0.89 1.22 -0.46 1.86 2.04 -1.17 -0.10 117.51 121.78 2k8b h ILE 30 Ca 0.22 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2k8b h ILE 30 Cb 0.11 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2k8b h ILE 30 CO -0.03 0.31 0.09 -0.61 0.00 0.00 0.00 178.15 177.91 2k8b h GLN 31 N 0.64 0.70 0.11 2.37 -0.00 -0.78 0.47 115.11 118.62 2k8b h GLN 31 Ca 0.13 -0.14 -0.27 0.00 -0.00 0.00 0.00 58.65 58.38 2k8b h GLN 31 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2k8b h GLN 31 CO 0.01 0.65 -1.23 0.22 0.00 0.00 0.00 178.83 178.49 2k8b h ASP 32 N 0.68 0.36 0.65 -0.69 3.58 -0.83 -2.43 116.42 117.74 2k8b h ASP 32 Ca 0.15 -0.40 -0.27 0.00 0.42 0.00 0.00 57.03 56.93 2k8b h ASP 32 Cb 0.29 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2k8b h ASP 32 CO 0.00 1.31 -1.37 0.11 -2.88 0.00 0.00 179.24 176.42 2k8b h LYS 33 N 0.06 0.13 0.00 0.28 1.57 -0.79 -3.43 116.57 114.39 2k8b h LYS 33 Ca -0.12 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2k8b h LYS 33 Cb 1.95 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2k8b h LYS 33 CO 0.19 0.97 0.00 -1.91 -0.57 0.00 0.00 179.45 178.13 2k8b n GLU 34 N -3.35 0.00 0.00 3.15 0.00 0.16 -5.07 120.64 115.52 2k8b n GLU 34 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2k8b n GLU 34 Cb 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 31.44 32.25 2k8b n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k8b n GLY 35 N 2.63 1.35 3.68 8.31 0.00 -0.92 -5.01 105.19 115.23 2k8b n GLY 35 Ca 0.00 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 2k8b n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k8b n ILE 36 N 0.00 0.49 -1.88 -0.61 5.41 -1.26 -4.85 119.36 116.66 2k8b n ILE 36 Ca 0.00 -0.09 -0.37 0.00 1.00 0.00 0.00 62.75 63.29 2k8b n ILE 36 Cb 0.00 -2.08 0.05 0.00 -0.71 0.00 0.00 39.64 36.90 2k8b n ILE 36 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k8b s PRO 37 N 3.32 2.91 0.59 0.38 0.04 -1.26 -3.60 135.00 137.38 2k8b s PRO 37 Ca 0.86 2.00 0.36 0.00 0.04 0.00 0.00 61.00 64.26 2k8b s PRO 37 Cb -0.53 -2.00 1.86 0.00 0.04 0.00 0.00 34.50 33.87 2k8b s PRO 37 CO 0.42 -1.30 2.19 -1.00 0.04 0.00 0.00 177.00 177.34 2k8b h PRO 38 N 0.97 0.00 0.00 0.56 0.13 -1.93 -1.62 132.00 130.12 2k8b h PRO 38 Ca -0.51 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 2k8b h PRO 38 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2k8b h PRO 38 CO 0.55 0.03 -0.34 -0.44 -0.23 0.00 0.00 178.00 177.58 2k8b h ASP 39 N 0.00 0.00 -0.37 1.44 3.32 -1.94 -3.05 116.42 115.82 2k8b h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k8b h ASP 39 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2k8b h ASP 39 CO 0.00 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 2k8b n GLN 40 N -3.35 2.67 -2.80 3.56 6.02 -0.66 -4.89 117.38 117.93 2k8b n GLN 40 Ca 0.01 -2.06 -0.43 0.00 -0.01 0.00 0.00 57.00 54.51 2k8b n GLN 40 Cb 0.55 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.48 2k8b n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k8b s GLN 41 N -1.01 3.29 -0.67 -1.09 2.00 -0.88 -4.06 119.66 117.24 2k8b s GLN 41 Ca 0.26 -1.01 -0.21 0.00 -2.00 0.00 0.00 55.36 52.40 2k8b s GLN 41 Cb 0.14 -4.52 0.09 0.00 0.80 0.00 0.00 33.01 29.52 2k8b s GLN 41 CO 0.18 -1.90 0.89 0.50 -0.50 0.00 0.00 175.29 174.47 2k8b s ARG 42 N 4.07 3.15 -0.33 1.67 3.52 -0.90 -5.00 118.95 125.12 2k8b s ARG 42 Ca 0.29 -1.12 -0.14 0.00 -0.13 0.00 0.00 55.73 54.63 2k8b s ARG 42 Cb -0.11 -4.32 -0.02 0.00 -1.56 0.00 0.00 34.95 28.95 2k8b s ARG 42 CO 0.04 -1.72 0.32 -0.51 -0.81 0.00 0.00 175.30 172.62 2k8b s LEU 43 N 3.41 4.42 -0.17 -0.88 1.43 -1.26 -0.50 118.68 125.13 2k8b s LEU 43 Ca 0.20 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2k8b s LEU 43 Cb -0.18 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2k8b s LEU 43 CO 0.06 -0.29 -0.01 -0.63 0.23 0.00 0.00 176.35 175.71 2k8b s ILE 44 N 1.93 4.09 -0.27 -0.59 1.01 -0.61 -2.59 121.20 124.18 2k8b s ILE 44 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2k8b s ILE 44 Cb -0.17 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.56 2k8b s ILE 44 CO 0.11 0.48 0.01 0.12 0.00 0.00 0.00 174.94 175.65 2k8b s PHE 45 N 0.46 2.41 -2.08 3.97 5.36 0.88 -2.47 117.98 126.50 2k8b s PHE 45 Ca -0.02 -1.93 0.00 0.00 -0.96 0.00 0.00 56.93 54.02 2k8b s PHE 45 Cb -0.14 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 2k8b s PHE 45 CO 0.02 -0.82 0.00 0.00 -1.46 0.00 0.00 175.22 172.96 2k8b n ALA 46 N 4.66 -0.30 0.00 11.12 0.00 -1.26 -1.09 120.51 133.64 2k8b n ALA 46 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2k8b n ALA 46 Cb 0.43 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.30 2.82 3.90 0.00 0.00 -1.26 -5.08 105.19 105.27 2k8b n GLY 47 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2k8b n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8b s LYS 48 N -0.50 3.66 -0.06 1.61 3.01 -0.25 -5.07 119.74 122.14 2k8b s LYS 48 Ca 0.00 0.03 -0.08 0.00 -1.01 0.00 0.00 55.97 54.90 2k8b s LYS 48 Cb 0.00 -2.69 -0.05 0.00 -1.01 0.00 0.00 37.83 34.09 2k8b s LYS 48 CO 0.00 0.28 0.23 1.14 0.51 0.00 0.00 175.35 177.52 2k8b s GLN 49 N -3.25 3.58 -0.74 1.68 -2.07 -1.26 -0.09 119.66 117.50 2k8b s GLN 49 Ca 0.44 -0.01 -0.24 0.00 -1.82 0.00 0.00 55.36 53.73 2k8b s GLN 49 Cb -0.11 -3.16 0.06 0.00 -1.09 0.00 0.00 33.01 28.71 2k8b s GLN 49 CO 0.27 0.72 1.13 -0.51 -1.32 0.00 0.00 175.29 175.58 2k8b s LEU 50 N -1.28 3.97 0.47 2.60 1.43 -1.07 -4.95 118.68 119.85 2k8b s LEU 50 Ca 0.21 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 2k8b s LEU 50 Cb -0.13 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.54 2k8b s LEU 50 CO 0.10 -1.55 1.34 -1.61 0.23 0.00 0.00 176.35 174.86 2k8b s GLU 51 N 4.57 3.63 0.33 1.70 2.02 -1.26 -4.89 118.70 124.80 2k8b s GLU 51 Ca 0.29 2.20 0.03 0.00 0.02 0.00 0.00 54.97 57.51 2k8b s GLU 51 Cb -0.11 -2.54 0.62 0.00 0.10 0.00 0.00 34.13 32.19 2k8b s GLU 51 CO 0.08 -0.79 1.95 -0.44 0.02 0.00 0.00 175.26 176.08 2k8b h ASP 52 N 2.15 0.79 -0.06 -0.19 5.19 -1.95 -1.04 116.42 121.32 2k8b h ASP 52 Ca -0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2k8b h ASP 52 Cb 1.27 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2k8b h ASP 52 CO 0.60 0.52 0.00 0.61 -3.12 0.00 0.00 179.24 177.86 2k8b n GLY 53 N -1.42 -0.64 3.97 2.75 0.00 -1.26 -2.15 105.19 106.44 2k8b n GLY 53 Ca 0.11 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.93 3.21 0.35 1.61 1.81 -0.39 -4.94 118.95 118.66 2k8b s ARG 54 Ca 0.23 -0.94 0.09 0.00 -1.72 0.00 0.00 55.73 53.39 2k8b s ARG 54 Cb 0.11 -2.82 -0.07 0.00 -0.45 0.00 0.00 34.95 31.72 2k8b s ARG 54 CO 0.18 0.20 -0.08 0.95 -0.68 0.00 0.00 175.30 175.86 2k8b s THR 55 N -2.11 2.19 0.31 0.02 -4.23 -1.26 -1.36 115.64 109.19 2k8b s THR 55 Ca 0.41 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2k8b s THR 55 Cb -0.09 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.28 2k8b s THR 55 CO 0.30 -0.19 1.90 -0.07 -0.54 0.00 0.00 174.62 176.02 2k8b h LEU 56 N 2.01 0.74 -0.48 4.79 3.38 -1.77 -2.29 115.31 121.69 2k8b h LEU 56 Ca -0.42 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 2k8b h LEU 56 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2k8b h LEU 56 CO 0.71 0.66 -0.39 0.28 0.09 0.00 0.00 178.44 179.79 2k8b h SER 57 N 0.81 0.00 -0.46 -0.43 0.02 -1.89 -1.72 113.55 109.88 2k8b h SER 57 Ca 0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 2k8b h SER 57 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2k8b h SER 57 CO -0.02 0.39 -0.15 -0.78 -1.14 0.00 0.00 176.83 175.13 2k8b h ASP 58 N 0.00 0.94 -0.05 3.07 3.58 -1.79 -2.47 116.42 119.70 2k8b h ASP 58 Ca -0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2k8b h ASP 58 Cb 1.11 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2k8b h ASP 58 CO 0.05 1.10 0.00 -1.22 -2.88 0.00 0.00 179.24 176.30 2k8b n TYR 59 N -4.20 0.06 -3.46 0.28 4.01 -1.15 -4.93 117.16 107.78 2k8b n TYR 59 Ca -0.00 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 2k8b n TYR 59 Cb 0.42 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.50 2k8b n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k8b n ASN 60 N -0.23 -5.58 -4.67 7.72 4.05 -0.93 -4.95 115.26 110.67 2k8b n ASN 60 Ca 0.18 -0.84 -0.40 0.00 0.45 0.00 0.00 54.58 53.98 2k8b n ASN 60 Cb 0.24 -4.41 -0.06 0.00 1.23 0.00 0.00 39.78 36.78 2k8b n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2k8b s ILE 61 N -3.44 5.05 0.76 -1.44 1.01 -0.66 -5.04 121.20 117.44 2k8b s ILE 61 Ca 0.42 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 2k8b s ILE 61 Cb -0.10 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k8b s ILE 61 CO 0.79 0.16 1.08 -1.10 0.00 0.00 0.00 174.94 175.87 2k8b s GLN 62 N 1.63 2.36 0.43 2.79 -1.52 -1.26 -4.84 119.66 119.24 2k8b s GLN 62 Ca 0.29 0.99 -0.24 0.00 -1.95 0.00 0.00 55.36 54.45 2k8b s GLN 62 Cb -0.16 -1.92 -0.08 0.00 -0.22 0.00 0.00 33.01 30.63 2k8b s GLN 62 CO 0.11 -1.52 1.19 -1.59 -0.25 0.00 0.00 175.29 173.23 2k8b s LYS 63 N -4.99 3.89 -1.42 2.91 -2.85 -1.26 -3.12 119.74 112.91 2k8b s LYS 63 Ca 0.60 1.86 -0.09 0.00 -1.00 0.00 0.00 55.97 57.34 2k8b s LYS 63 Cb -0.16 -2.56 0.02 0.00 -2.06 0.00 0.00 37.83 33.08 2k8b s LYS 63 CO 0.56 -0.46 1.06 0.39 0.10 0.00 0.00 175.35 176.99 2k8b n GLU 64 N -0.19 -7.09 -1.19 1.78 1.02 -1.05 -4.96 120.64 108.97 2k8b n GLU 64 Ca 0.06 0.80 -0.30 0.00 -0.02 0.00 0.00 57.16 57.69 2k8b n GLU 64 Cb 0.47 -5.80 0.12 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.21 3.91 -0.47 1.62 1.04 -1.18 -4.66 113.70 110.74 2k8b s SER 65 Ca 0.56 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.58 2k8b s SER 65 Cb -0.25 -2.38 0.11 0.00 0.10 0.00 0.00 66.02 63.60 2k8b s SER 65 CO 0.69 -2.40 0.36 -0.89 0.98 0.00 0.00 173.24 171.98 2k8b s THR 66 N -2.89 4.53 0.52 2.02 2.01 -1.26 -1.47 115.64 119.10 2k8b s THR 66 Ca 0.63 -1.56 0.06 0.00 0.31 0.00 0.00 61.69 61.13 2k8b s THR 66 Cb -0.18 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.50 2k8b s THR 66 CO 0.57 -0.71 0.72 -0.76 -0.69 0.00 0.00 174.62 173.75 2k8b s LEU 67 N 1.46 3.35 -0.06 4.42 1.02 0.57 -4.83 118.68 124.60 2k8b s LEU 67 Ca 0.04 -0.42 -0.00 0.00 0.02 0.00 0.00 54.13 53.77 2k8b s LEU 67 Cb -0.26 -2.38 0.02 0.00 0.02 0.00 0.00 46.19 43.60 2k8b s LEU 67 CO 0.01 -1.13 -0.03 -1.00 0.02 0.00 0.00 176.35 174.23 2k8b s HIS 68 N -2.62 0.80 -0.42 0.29 3.76 -1.03 -0.06 115.29 116.00 2k8b s HIS 68 Ca 0.59 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 55.11 2k8b s HIS 68 Cb -0.08 -0.78 0.04 0.00 1.11 0.00 0.00 32.58 32.86 2k8b s HIS 68 CO 0.37 -0.28 0.31 -1.17 -0.85 0.00 0.00 174.74 173.12 2k8b s LEU 69 N 1.42 5.19 0.33 0.89 2.96 0.48 -1.57 118.68 128.37 2k8b s LEU 69 Ca -0.03 -1.09 0.09 0.00 -0.22 0.00 0.00 54.13 52.88 2k8b s LEU 69 Cb -0.13 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2k8b s LEU 69 CO -0.03 -0.50 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.81 2k8b s VAL 70 N 1.63 2.74 0.68 1.68 1.01 0.34 -2.20 120.40 126.28 2k8b s VAL 70 Ca 0.04 -1.99 0.04 0.00 0.00 0.00 0.00 61.98 60.08 2k8b s VAL 70 Cb -0.21 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.53 2k8b s VAL 70 CO 0.08 -0.24 0.94 -0.76 0.00 0.00 0.00 175.10 175.12 2k8b s LEU 71 N -3.70 2.96 0.64 3.92 1.43 -1.26 -2.12 118.68 120.55 2k8b s LEU 71 Ca 0.34 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2k8b s LEU 71 Cb -0.01 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2k8b s LEU 71 CO 0.19 -1.75 1.04 0.00 0.23 0.00 0.00 176.35 176.06 2k8b s ARG 72 N -4.98 3.33 -0.23 1.70 1.70 -1.26 -4.72 118.95 114.50 2k8b s ARG 72 Ca 0.66 0.88 -0.09 0.00 -0.47 0.00 0.00 55.73 56.71 2k8b s ARG 72 Cb -0.04 -2.04 -0.10 0.00 -0.57 0.00 0.00 34.95 32.19 2k8b s ARG 72 CO 0.43 -0.78 -0.28 -0.11 -1.08 0.00 0.00 175.30 173.48 2k8b n LEU 73 N -2.76 1.83 -4.38 -1.89 7.94 -1.26 -5.05 117.00 111.43 2k8b n LEU 73 Ca 0.07 0.21 -0.19 0.00 -1.11 0.00 0.00 56.01 54.99 2k8b n LEU 73 Cb 0.54 -0.68 -0.10 0.00 0.53 0.00 0.00 43.42 43.70 2k8b n LEU 73 CO 0.55 0.54 -0.32 -0.13 -1.11 0.00 0.00 177.39 176.92 2k8b s ARG 74 N -2.42 1.47 -0.04 1.96 0.52 -1.26 -5.06 118.95 114.12 2k8b s ARG 74 Ca -0.31 -1.76 0.18 0.00 -0.52 0.00 0.00 55.73 53.31 2k8b s ARG 74 Cb 0.11 -0.80 -0.27 0.00 0.52 0.00 0.00 34.95 34.52 2k8b s ARG 74 CO 0.42 -0.09 0.36 0.41 0.02 0.00 0.00 175.30 176.41 2k8b n GLY 75 N -0.52 -0.82 0.00 -3.53 0.00 -1.26 -5.18 105.19 93.87 2k8b n GLY 75 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2k8b n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93