#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8b s HIS 14 N 0.00 -0.01 -0.04 0.66 2.46 0.77 -4.84 115.29 114.29 1q8b s HIS 14 Ca 0.00 -0.06 -0.13 0.00 0.47 0.00 0.00 55.06 55.34 1q8b s HIS 14 Cb 0.00 -0.54 -0.05 0.00 -0.13 0.00 0.00 32.58 31.86 1q8b s HIS 14 CO 0.00 -0.53 0.35 0.71 -2.47 0.00 0.00 174.74 172.80 1q8b s TYR 15 N 2.22 3.68 -0.02 3.88 1.51 0.93 0.29 117.35 129.84 1q8b s TYR 15 Ca 0.04 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 1q8b s TYR 15 Cb -0.16 -2.23 0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1q8b s TYR 15 CO -0.10 0.62 0.02 0.42 -1.11 0.00 0.00 175.55 175.41 1q8b s ILE 16 N -0.91 -0.03 -0.11 2.71 1.01 0.41 -1.23 121.20 123.05 1q8b s ILE 16 Ca 0.22 0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1q8b s ILE 16 Cb -0.16 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.24 1q8b s ILE 16 CO 0.11 0.09 -0.16 -0.89 0.00 0.00 0.00 174.94 174.09 1q8b s THR 17 N 0.97 1.53 0.03 2.92 2.01 -1.26 -0.20 115.64 121.64 1q8b s THR 17 Ca -0.08 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1q8b s THR 17 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1q8b s THR 17 CO -0.03 0.45 -0.05 0.00 -0.69 0.00 0.00 174.62 174.30 1q8b s ALA 18 N 0.92 0.33 -0.16 7.40 0.00 -0.65 -4.45 121.76 125.14 1q8b s ALA 18 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1q8b s ALA 18 Cb -0.15 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1q8b s ALA 18 CO -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 175.76 175.47 1q8b s LEU 20 N 1.05 4.27 -0.21 0.00 1.43 0.13 -1.16 118.68 124.18 1q8b s LEU 20 Ca -0.01 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 1q8b s LEU 20 Cb -0.14 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1q8b s LEU 20 CO -0.06 0.38 0.23 -0.75 0.23 0.00 0.00 176.35 176.39 1q8b s LYS 21 N -0.88 4.15 -0.20 1.70 2.20 0.33 -1.20 119.74 125.84 1q8b s LYS 21 Ca 0.14 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.38 1q8b s LYS 21 Cb -0.12 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1q8b s LYS 21 CO 0.03 0.11 0.96 0.42 -0.36 0.00 0.00 175.35 176.52 1q8b s ILE 22 N 0.89 4.76 -1.61 5.43 1.01 -0.74 -1.88 121.20 129.06 1q8b s ILE 22 Ca 0.12 1.89 0.16 0.00 0.00 0.00 0.00 60.65 62.82 1q8b s ILE 22 Cb -0.13 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1q8b s ILE 22 CO 0.04 -0.09 0.89 2.30 0.00 0.00 0.00 174.94 178.08 1q8b n ILE 23 N 5.07 0.00 -2.43 2.92 -5.35 -0.32 -4.94 119.36 114.31 1q8b n ILE 23 Ca 0.09 -0.36 -0.30 0.00 -0.27 0.00 0.00 62.75 61.91 1q8b n ILE 23 Cb 0.47 1.22 -0.01 0.00 -1.74 0.00 0.00 39.64 39.59 1q8b n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1q8b s SER 24 N -1.82 6.35 -0.06 7.28 0.15 -1.08 -4.99 113.70 119.54 1q8b s SER 24 Ca 0.15 1.19 0.15 0.00 0.70 0.00 0.00 55.95 58.15 1q8b s SER 24 Cb 0.13 -2.36 0.50 0.00 -1.71 0.00 0.00 66.02 62.58 1q8b s SER 24 CO 0.37 -0.63 1.42 -0.90 1.20 0.00 0.00 173.24 174.71 1q8b n ASP 25 N -2.12 3.72 -4.78 5.45 3.85 -1.26 -5.00 116.55 116.41 1q8b n ASP 25 Ca 0.03 -2.28 -0.30 0.00 -0.71 0.00 0.00 54.79 51.53 1q8b n ASP 25 Cb 0.54 -0.41 0.11 0.00 -1.35 0.00 0.00 41.12 40.01 1q8b n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1q8b s LYS 26 N -1.52 1.74 0.20 0.11 1.02 -1.26 -4.97 119.74 115.06 1q8b s LYS 26 Ca 0.38 0.64 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 1q8b s LYS 26 Cb 0.23 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.55 1q8b s LYS 26 CO 0.20 -1.86 1.62 0.34 -0.92 0.00 0.00 175.35 174.72 1q8b s ASP 27 N -3.79 6.49 0.40 2.83 2.15 -1.26 -4.87 116.67 118.62 1q8b s ASP 27 Ca 0.62 2.75 0.16 0.00 0.43 0.00 0.00 52.55 56.50 1q8b s ASP 27 Cb -0.15 -2.60 1.02 0.00 -0.30 0.00 0.00 42.92 40.89 1q8b s ASP 27 CO 0.55 -0.88 1.86 0.25 -0.17 0.00 0.00 175.17 176.78 1q8b h LEU 28 N 6.44 0.46 -0.26 -1.34 5.85 -1.99 -0.10 115.31 124.38 1q8b h LEU 28 Ca -0.43 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1q8b h LEU 28 Cb 1.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1q8b h LEU 28 CO 0.91 0.20 -0.09 0.78 -0.34 0.00 0.00 178.44 179.89 1q8b h ASN 29 N 0.47 0.52 -0.41 1.25 2.35 -2.04 -3.00 115.58 114.71 1q8b h ASN 29 Ca 0.46 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1q8b h ASN 29 Cb 1.06 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1q8b h ASN 29 CO -0.19 0.79 0.23 -0.33 -1.65 0.00 0.00 177.43 176.28 1q8b h GLU 30 N 0.25 0.46 -1.44 0.81 5.08 -1.47 -1.55 114.58 116.72 1q8b h GLU 30 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1q8b h GLU 30 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1q8b h GLU 30 CO 0.03 0.30 0.00 -0.89 -1.00 0.00 0.00 179.01 177.45 1q8b n ILE 31 N -4.87 0.01 0.00 3.13 5.41 -0.24 -2.99 119.36 119.81 1q8b n ILE 31 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1q8b n ILE 31 Cb 0.07 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 1q8b n ILE 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1q8b n LYS 33 N 0.86 0.00 -0.14 0.38 5.02 -0.59 -2.21 118.16 121.48 1q8b n LYS 33 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1q8b n LYS 33 Cb 0.01 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 1q8b n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1q8b h GLU 34 N 0.00 0.91 0.00 1.97 4.39 -1.82 -1.47 114.58 118.56 1q8b h GLU 34 Ca 0.00 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.26 1q8b h GLU 34 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1q8b h GLU 34 CO 0.00 0.98 -0.54 0.74 -1.16 0.00 0.00 179.01 179.03 1q8b h PHE 35 N 0.81 0.00 -0.16 4.33 -1.00 -1.75 -1.41 116.94 117.76 1q8b h PHE 35 Ca 0.13 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.73 1q8b h PHE 35 Cb 0.65 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 1q8b h PHE 35 CO 0.04 0.54 -0.64 0.87 -1.61 0.00 0.00 178.31 177.51 1q8b h LYS 36 N 0.00 0.58 -0.45 1.51 1.79 -1.76 0.17 116.57 118.41 1q8b h LYS 36 Ca -0.01 -0.41 -0.09 0.00 -2.18 0.00 0.00 60.65 57.96 1q8b h LYS 36 Cb 1.00 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1q8b h LYS 36 CO 0.07 1.03 -0.08 0.87 -1.08 0.00 0.00 179.45 180.26 1q8b h LYS 37 N 0.42 0.84 -0.50 3.15 1.57 -1.11 -0.63 116.57 120.31 1q8b h LYS 37 Ca -0.01 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1q8b h LYS 37 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1q8b h LYS 37 CO 0.12 0.94 0.27 1.25 -0.57 0.00 0.00 179.45 181.46 1q8b h LEU 38 N 0.68 0.63 -0.76 2.94 5.85 -1.11 -1.82 115.31 121.72 1q8b h LEU 38 Ca 0.12 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1q8b h LEU 38 Cb 0.61 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1q8b h LEU 38 CO 0.04 0.54 0.48 -0.08 -0.34 0.00 0.00 178.44 179.08 1q8b h GLU 39 N 0.66 0.91 -0.53 1.25 4.81 -0.39 0.31 114.58 121.60 1q8b h GLU 39 Ca 0.18 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1q8b h GLU 39 Cb 0.06 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1q8b h GLU 39 CO -0.03 0.60 0.23 1.49 -0.73 0.00 0.00 179.01 180.58 1q8b h GLU 40 N 0.94 0.77 -0.06 1.92 4.81 -0.69 -2.46 114.58 119.81 1q8b h GLU 40 Ca 0.30 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 59.18 1q8b h GLU 40 Cb 0.01 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1q8b h GLU 40 CO -0.11 0.66 -0.86 0.93 -0.73 0.00 0.00 179.01 178.90 1q8b h GLU 41 N 0.71 0.57 0.00 1.92 4.39 -0.97 -3.27 114.58 117.93 1q8b h GLU 41 Ca 0.18 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 59.28 1q8b h GLU 41 Cb 0.16 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1q8b h GLU 41 CO -0.02 1.15 -0.33 1.79 -1.16 0.00 0.00 179.01 180.45 1q8b h THR 42 N 0.36 0.75 0.00 1.13 1.35 -0.91 -2.33 112.91 113.25 1q8b h THR 42 Ca -0.07 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1q8b h THR 42 Cb 1.48 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1q8b h THR 42 CO 0.16 0.32 0.00 0.78 -0.25 0.00 0.00 175.52 176.53 1q8b h ASN 43 N 0.00 0.00 0.70 5.36 4.21 -1.48 -1.77 115.58 122.59 1q8b h ASN 43 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1q8b h ASN 43 Cb 0.88 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 1q8b h ASN 43 CO 0.04 0.00 -0.60 0.29 -1.29 0.00 0.00 177.43 175.87 1q8b n LYS 44 N -2.43 0.18 -1.94 0.81 5.02 -0.88 -4.87 118.16 114.04 1q8b n LYS 44 Ca 0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1q8b n LYS 44 Cb 0.24 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1q8b n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q8b s GLU 45 N -3.10 4.18 0.19 1.97 2.02 -0.67 -4.91 118.70 118.39 1q8b s GLU 45 Ca 0.08 2.40 -0.12 0.00 0.02 0.00 0.00 54.97 57.35 1q8b s GLU 45 Cb 0.15 -2.99 0.20 0.00 0.10 0.00 0.00 34.13 31.59 1q8b s GLU 45 CO 0.71 -0.40 1.74 1.49 0.02 0.00 0.00 175.26 178.82 1q8b h GLU 46 N 3.11 0.32 0.00 1.61 4.57 -1.90 -2.56 114.58 119.73 1q8b h GLU 46 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1q8b h GLU 46 Cb 1.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1q8b h GLU 46 CO 0.64 0.21 0.00 0.41 -1.18 0.00 0.00 179.01 179.09 1q8b n GLY 47 N -1.27 -0.99 3.60 1.92 0.00 -1.26 -4.80 105.19 102.38 1q8b n GLY 47 Ca 0.06 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1q8b n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8b h ILE 49 N 5.54 1.51 -2.75 0.00 2.04 -1.37 -3.46 117.51 119.02 1q8b h ILE 49 Ca -0.27 -2.35 -0.10 0.00 1.00 0.00 0.00 64.86 63.14 1q8b h ILE 49 Cb 1.12 3.07 -0.20 0.00 -0.74 0.00 0.00 36.82 40.06 1q8b h ILE 49 CO 0.80 0.57 -0.15 0.42 0.00 0.00 0.00 178.15 179.79 1q8b s THR 50 N -2.30 0.04 -0.21 -0.27 -4.23 -0.76 -4.96 115.64 102.95 1q8b s THR 50 Ca -0.20 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.90 1q8b s THR 50 Cb 0.00 -0.71 0.09 0.00 1.34 0.00 0.00 72.50 73.22 1q8b s THR 50 CO 0.70 -0.18 0.46 0.12 -0.54 0.00 0.00 174.62 175.18 1q8b s PHE 51 N -1.19 -0.84 -0.06 3.99 5.36 -1.26 -1.07 117.98 122.91 1q8b s PHE 51 Ca -0.12 1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 57.42 1q8b s PHE 51 Cb -0.04 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 1q8b s PHE 51 CO 0.05 -0.48 0.14 -1.58 -1.46 0.00 0.00 175.22 171.90 1q8b s HIS 52 N 2.36 -0.16 0.00 10.12 2.46 -0.45 -4.88 115.29 124.74 1q8b s HIS 52 Ca -0.04 0.44 0.08 0.00 0.47 0.00 0.00 55.06 56.00 1q8b s HIS 52 Cb -0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.30 1q8b s HIS 52 CO -0.14 -0.13 -0.24 0.00 -2.47 0.00 0.00 174.74 171.77 1q8b s ALA 53 N 0.70 2.00 -0.04 1.58 0.00 -1.26 -1.36 121.76 123.39 1q8b s ALA 53 Ca -0.05 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1q8b s ALA 53 Cb -0.07 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1q8b s ALA 53 CO -0.03 0.48 0.53 1.52 0.00 0.00 0.00 175.76 178.26 1q8b s TYR 54 N -0.63 -0.47 0.23 0.00 -0.85 -1.26 -4.97 117.35 109.41 1q8b s TYR 54 Ca 0.09 0.78 -0.20 0.00 -0.52 0.00 0.00 57.07 57.23 1q8b s TYR 54 Cb -0.09 0.28 -0.08 0.00 0.38 0.00 0.00 41.96 42.45 1q8b s TYR 54 CO -0.00 -0.52 0.74 -1.25 -1.52 0.00 0.00 175.55 173.00 1q8b s PRO 55 N -1.23 4.28 0.00 -3.49 0.04 -1.26 -4.54 135.00 128.80 1q8b s PRO 55 Ca -0.12 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1q8b s PRO 55 Cb -0.02 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1q8b s PRO 55 CO 0.08 0.40 0.00 1.28 0.04 0.00 0.00 177.00 178.79 1q8b n LEU 56 N 0.75 0.00 -4.77 -3.56 7.99 -0.79 -4.95 117.00 111.68 1q8b n LEU 56 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.58 1q8b n LEU 56 Cb 0.51 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.83 1q8b n LEU 56 CO 0.43 -0.52 1.09 -0.62 -1.51 0.00 0.00 177.39 176.26 1q8b n GLU 57 N -0.98 2.33 -0.30 3.23 -0.58 -1.26 -4.85 120.64 118.24 1q8b n GLU 57 Ca 0.00 0.83 0.07 0.00 -0.42 0.00 0.00 57.16 57.64 1q8b n GLU 57 Cb 0.00 -2.65 0.17 0.00 -0.57 0.00 0.00 31.44 28.39 1q8b n GLU 57 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1q8b h PRO 58 N 2.40 0.04 -0.19 3.49 0.11 -1.95 0.11 132.00 136.01 1q8b h PRO 58 Ca -0.51 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.65 1q8b h PRO 58 Cb 1.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1q8b h PRO 58 CO 0.61 0.03 0.19 0.66 -0.21 0.00 0.00 178.00 179.28 1q8b h SER 59 N 0.04 0.00 0.50 -2.05 4.64 -2.01 -1.86 113.55 112.81 1q8b h SER 59 Ca 0.46 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.64 1q8b h SER 59 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1q8b h SER 59 CO -0.82 0.00 -0.60 -0.33 -0.87 0.00 0.00 176.83 174.22 1q8b h GLU 60 N 0.00 0.10 -5.95 4.77 4.39 -1.12 -3.47 114.58 113.30 1q8b h GLU 60 Ca 0.09 -0.07 -0.38 0.00 0.34 0.00 0.00 59.36 59.35 1q8b h GLU 60 Cb 0.47 0.01 0.10 0.00 -0.10 0.00 0.00 28.75 29.24 1q8b h GLU 60 CO -0.00 0.67 -0.86 0.54 -1.16 0.00 0.00 179.01 178.19 1q8b n ARG 61 N -3.85 -3.39 -3.98 2.33 5.12 -0.70 -4.90 116.66 107.29 1q8b n ARG 61 Ca -0.02 0.65 -0.09 0.00 -1.93 0.00 0.00 57.85 56.46 1q8b n ARG 61 Cb 0.60 -5.09 -0.10 0.00 -1.16 0.00 0.00 32.46 26.71 1q8b n ARG 61 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1q8b s LYS 62 N -5.56 0.53 0.00 5.56 1.02 -1.26 -1.79 119.74 118.24 1q8b s LYS 62 Ca 0.24 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1q8b s LYS 62 Cb -0.06 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 1q8b s LYS 62 CO 0.80 -0.12 0.00 -0.89 -0.92 0.00 0.00 175.35 174.23 1q8b n ILE 63 N 0.79 0.00 -3.65 2.17 5.41 -0.34 -1.89 119.36 121.85 1q8b n ILE 63 Ca -0.19 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.56 1q8b n ILE 63 Cb 0.58 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.45 1q8b n ILE 63 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1q8b s LEU 65 N 0.00 -0.33 -0.22 1.39 1.43 0.49 0.17 118.68 121.62 1q8b s LEU 65 Ca 0.00 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1q8b s LEU 65 Cb 0.00 1.48 0.00 0.00 0.03 0.00 0.00 46.19 47.70 1q8b s LEU 65 CO 0.00 -0.08 -0.07 0.26 0.23 0.00 0.00 176.35 176.69 1q8b s TRP 66 N 1.22 2.95 0.01 0.29 0.51 -0.46 -1.64 118.94 121.81 1q8b s TRP 66 Ca -0.09 -1.13 0.02 0.00 -2.12 0.00 0.00 56.10 52.78 1q8b s TRP 66 Cb -0.03 -2.07 -0.01 0.00 -0.81 0.00 0.00 33.47 30.55 1q8b s TRP 66 CO -0.13 -0.61 -0.06 -1.21 -0.51 0.00 0.00 176.95 174.43 1q8b s GLU 67 N 1.43 0.47 -0.06 4.98 2.02 0.72 -1.35 118.70 126.92 1q8b s GLU 67 Ca 0.05 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1q8b s GLU 67 Cb -0.14 -0.41 0.02 0.00 0.10 0.00 0.00 34.13 33.70 1q8b s GLU 67 CO -0.05 0.10 -0.04 0.42 0.02 0.00 0.00 175.26 175.72 1q8b s ILE 68 N -0.41 0.55 0.22 -1.63 1.01 -0.23 -0.45 121.20 120.26 1q8b s ILE 68 Ca -0.01 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1q8b s ILE 68 Cb -0.04 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1q8b s ILE 68 CO -0.00 0.25 -0.17 0.26 0.00 0.00 0.00 174.94 175.28 1q8b s TRP 69 N 1.25 1.92 0.45 3.97 0.52 0.15 -0.98 118.94 126.21 1q8b s TRP 69 Ca -0.06 -0.47 0.14 0.00 0.02 0.00 0.00 56.10 55.72 1q8b s TRP 69 Cb -0.14 -0.89 1.01 0.00 -1.15 0.00 0.00 33.47 32.30 1q8b s TRP 69 CO -0.02 0.46 2.01 0.93 0.02 0.00 0.00 176.95 180.35 1q8b h GLU 70 N 2.66 0.06 -2.14 4.98 4.39 -1.39 0.22 114.58 123.36 1q8b h GLU 70 Ca -0.40 -0.01 0.32 0.00 0.34 0.00 0.00 59.36 59.61 1q8b h GLU 70 Cb 1.23 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 1q8b h GLU 70 CO 0.58 0.19 0.86 0.54 -1.16 0.00 0.00 179.01 180.03 1q8b s ASN 71 N -6.98 0.00 0.35 1.42 2.20 -1.26 -4.45 114.94 106.22 1q8b s ASN 71 Ca -0.05 -0.25 0.05 0.00 -0.94 0.00 0.00 52.86 51.68 1q8b s ASN 71 Cb 0.16 0.19 0.66 0.00 -2.00 0.00 0.00 41.25 40.26 1q8b s ASN 71 CO 0.70 -0.37 1.91 -0.33 -2.94 0.00 0.00 177.10 176.07 1q8b h GLU 72 N 2.00 0.49 -0.24 3.55 5.08 -1.94 -2.76 114.58 120.75 1q8b h GLU 72 Ca -0.23 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1q8b h GLU 72 Cb 1.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1q8b h GLU 72 CO 0.32 0.50 -0.18 0.93 -1.00 0.00 0.00 179.01 179.58 1q8b h GLU 73 N 0.48 0.43 -0.69 2.33 3.07 -2.00 -2.48 114.58 115.72 1q8b h GLU 73 Ca 0.11 -0.13 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1q8b h GLU 73 Cb 0.28 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1q8b h GLU 73 CO 0.01 0.59 0.45 0.00 -1.40 0.00 0.00 179.01 178.66 1q8b h ALA 74 N 1.43 1.70 -0.32 3.43 0.00 -1.84 0.18 119.26 123.85 1q8b h ALA 74 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1q8b h ALA 74 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1q8b h ALA 74 CO 0.03 0.20 0.05 0.28 0.00 0.00 0.00 179.25 179.82 1q8b h VAL 75 N 0.74 1.23 -0.51 0.00 2.07 -1.50 -0.15 116.25 118.13 1q8b h VAL 75 Ca 0.29 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1q8b h VAL 75 Cb 0.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1q8b h VAL 75 CO -0.09 0.27 0.07 0.11 0.02 0.00 0.00 177.57 177.95 1q8b h LYS 76 N 0.35 0.85 -0.98 1.57 1.57 -1.19 -2.55 116.57 116.19 1q8b h LYS 76 Ca 0.10 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1q8b h LYS 76 Cb 0.34 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1q8b h LYS 76 CO 0.01 0.85 0.65 0.82 -0.57 0.00 0.00 179.45 181.20 1q8b h ILE 77 N 0.73 1.24 -0.84 1.86 2.04 -0.53 -2.00 117.51 120.00 1q8b h ILE 77 Ca 0.15 -0.45 0.14 0.00 1.00 0.00 0.00 64.86 65.70 1q8b h ILE 77 Cb 0.41 -0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.21 1q8b h ILE 77 CO 0.01 0.24 0.43 -0.74 0.00 0.00 0.00 178.15 178.10 1q8b h HIS 78 N 1.31 0.76 0.00 1.37 2.76 -0.61 -0.66 115.15 120.08 1q8b h HIS 78 Ca 0.37 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1q8b h HIS 78 Cb -0.13 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.62 1q8b h HIS 78 CO -0.00 0.19 0.00 1.19 -1.30 0.00 0.00 177.93 178.01 1q8b n PHE 79 N -4.86 0.00 0.29 5.26 3.01 -0.76 -2.57 117.46 117.83 1q8b n PHE 79 Ca 0.16 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.73 1q8b n PHE 79 Cb 0.42 -0.03 -0.13 0.00 -0.01 0.00 0.00 39.48 39.72 1q8b n PHE 79 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1q8b n THR 80 N -1.03 0.05 -1.95 4.37 -2.24 -0.27 -4.66 114.28 108.54 1q8b n THR 80 Ca 0.21 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1q8b n THR 80 Cb 0.11 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1q8b n THR 80 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1q8b s LYS 81 N -3.36 3.84 0.28 -0.78 -0.14 -1.06 -4.89 119.74 113.63 1q8b s LYS 81 Ca -0.03 2.25 0.01 0.00 -1.36 0.00 0.00 55.97 56.85 1q8b s LYS 81 Cb 0.14 -2.70 0.42 0.00 -1.68 0.00 0.00 37.83 34.02 1q8b s LYS 81 CO 0.88 -0.63 1.77 -0.22 -0.76 0.00 0.00 175.35 176.39 1q8b h LYS 82 N 2.50 0.60 0.00 1.68 3.64 -1.92 -1.95 116.57 121.12 1q8b h LYS 82 Ca -0.50 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 58.66 1q8b h LYS 82 Cb 1.25 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1q8b h LYS 82 CO 0.62 0.70 -0.20 1.12 -2.27 0.00 0.00 179.45 179.42 1q8b h HIS 83 N 0.55 0.00 0.00 1.91 2.07 -1.93 0.61 115.15 118.37 1q8b h HIS 83 Ca 0.10 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.62 1q8b h HIS 83 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1q8b h HIS 83 CO 0.02 0.20 -0.00 1.15 -3.07 0.00 0.00 177.93 176.23 1q8b h THR 84 N 0.00 1.65 -0.35 6.12 2.02 -1.72 -3.29 112.91 117.35 1q8b h THR 84 Ca -0.00 -2.05 0.01 0.00 0.77 0.00 0.00 66.41 65.13 1q8b h THR 84 Cb 0.41 3.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1q8b h THR 84 CO 0.03 0.52 0.23 0.40 0.37 0.00 0.00 175.52 177.07 1q8b h ILE 85 N -0.90 1.08 -0.69 3.11 2.04 -1.12 -2.07 117.51 118.96 1q8b h ILE 85 Ca -0.00 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1q8b h ILE 85 Cb 0.86 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1q8b h ILE 85 CO 0.00 0.08 0.42 0.44 0.00 0.00 0.00 178.15 179.10 1q8b h ASP 86 N 0.46 0.69 -0.24 1.72 3.45 -0.96 0.60 116.42 122.13 1q8b h ASP 86 Ca 0.13 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.41 1q8b h ASP 86 Cb -0.04 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1q8b h ASP 86 CO -0.03 0.47 -0.53 0.58 -1.57 0.00 0.00 179.24 178.16 1q8b h VAL 87 N 0.82 1.28 -0.64 -1.35 2.07 -1.49 -3.21 116.25 113.74 1q8b h VAL 87 Ca 0.28 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1q8b h VAL 87 Cb 0.05 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1q8b h VAL 87 CO -0.12 0.56 0.39 -0.61 0.02 0.00 0.00 177.57 177.81 1q8b h GLN 88 N 0.64 0.73 0.00 1.57 4.15 -0.77 -1.80 115.11 119.63 1q8b h GLN 88 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1q8b h GLN 88 Cb 1.13 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1q8b h GLN 88 CO 0.12 0.49 0.00 0.87 -1.93 0.00 0.00 178.83 178.37 1q8b h LYS 89 N 0.76 0.00 0.00 1.69 1.57 -0.90 -1.62 116.57 118.07 1q8b h LYS 89 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1q8b h LYS 89 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1q8b h LYS 89 CO -0.11 0.00 -0.04 1.04 -0.57 0.00 0.00 179.45 179.76 1q8b n GLN 90 N -2.60 0.22 -3.88 3.15 6.02 -0.68 -4.95 117.38 114.67 1q8b n GLN 90 Ca -0.01 0.17 -0.25 0.00 -0.01 0.00 0.00 57.00 56.90 1q8b n GLN 90 Cb 0.11 -1.74 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 1q8b n GLN 90 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1q8b n GLU 91 N -2.12 -3.55 0.06 -1.09 1.02 -0.61 -4.88 120.64 109.47 1q8b n GLU 91 Ca 0.06 0.46 -0.01 0.00 -0.02 0.00 0.00 57.16 57.65 1q8b n GLU 91 Cb 0.41 -4.66 -0.06 0.00 -0.02 0.00 0.00 31.44 27.12 1q8b n GLU 91 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1q8b h LEU 92 N -1.85 0.00 -8.73 -4.62 3.38 -1.83 -3.40 115.31 98.26 1q8b h LEU 92 Ca -0.63 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.96 1q8b h LEU 92 Cb 1.37 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.01 1q8b h LEU 92 CO 0.60 0.62 -0.37 0.42 0.09 0.00 0.00 178.44 179.80 1q8b s THR 93 N -2.89 0.00 -0.03 0.22 -4.23 -1.26 -1.17 115.64 106.27 1q8b s THR 93 Ca -0.01 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 1q8b s THR 93 Cb 0.08 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1q8b s THR 93 CO 0.80 0.00 0.40 -1.83 -0.54 0.00 0.00 174.62 173.45 1q8b s GLU 94 N -3.31 0.75 -0.04 3.99 -1.05 -0.79 -4.85 118.70 113.40 1q8b s GLU 94 Ca 0.36 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.84 1q8b s GLU 94 Cb 0.01 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1q8b s GLU 94 CO 0.24 -0.21 1.08 0.08 0.95 0.00 0.00 175.26 177.40 1q8b s VAL 95 N -1.21 4.54 -0.16 1.83 1.01 -1.26 -0.51 120.40 124.64 1q8b s VAL 95 Ca -0.12 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.50 1q8b s VAL 95 Cb -0.04 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 1q8b s VAL 95 CO 0.05 0.05 0.38 -0.08 0.00 0.00 0.00 175.10 175.51 1q8b h GLU 96 N 7.09 0.10 -3.18 2.72 4.81 -1.47 -3.46 114.58 121.19 1q8b h GLU 96 Ca -0.36 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 1q8b h GLU 96 Cb 1.18 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 1q8b h GLU 96 CO 0.83 1.08 -0.19 1.67 -0.73 0.00 0.00 179.01 181.67 1q8b s TRP 97 N -2.40 -0.17 0.09 0.92 1.48 -1.16 -5.03 118.94 112.66 1q8b s TRP 97 Ca -0.25 0.09 -0.02 0.00 -1.06 0.00 0.00 56.10 54.86 1q8b s TRP 97 Cb 0.05 0.14 0.01 0.00 -1.16 0.00 0.00 33.47 32.51 1q8b s TRP 97 CO 0.67 -0.53 0.15 -0.11 -4.06 0.00 0.00 176.95 173.07 1q8b n LEU 98 N 0.58 0.00 -3.59 -4.66 0.00 -1.26 -1.65 117.00 106.42 1q8b n LEU 98 Ca -0.19 -0.65 -0.07 0.00 0.00 0.00 0.00 56.01 55.10 1q8b n LEU 98 Cb 0.59 0.74 -0.04 0.00 0.00 0.00 0.00 43.42 44.71 1q8b n LEU 98 CO 0.21 -0.18 0.91 -0.54 0.00 0.00 0.00 177.39 177.79 1q8b s LYS 100 N -2.12 0.42 -0.28 1.96 1.02 -1.26 -5.02 119.74 114.47 1q8b s LYS 100 Ca 0.06 0.04 -0.23 0.00 0.02 0.00 0.00 55.97 55.86 1q8b s LYS 100 Cb -0.01 0.20 0.09 0.00 -0.52 0.00 0.00 37.83 37.59 1q8b s LYS 100 CO 0.04 -0.14 0.81 0.45 -0.92 0.00 0.00 175.35 175.59 1q8b s SER 101 N -1.32 -0.70 -0.24 2.83 0.15 -0.37 -5.00 113.70 109.06 1q8b s SER 101 Ca 0.03 1.28 -0.12 0.00 0.70 0.00 0.00 55.95 57.84 1q8b s SER 101 Cb -0.01 1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 65.55 1q8b s SER 101 CO -0.03 -0.22 0.23 0.20 1.20 0.00 0.00 173.24 174.63 1q8b s ASN 102 N 0.64 6.17 -0.09 5.45 0.01 -1.26 -0.05 114.94 125.81 1q8b s ASN 102 Ca -0.02 0.18 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 1q8b s ASN 102 Cb -0.05 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1q8b s ASN 102 CO -0.06 -0.01 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.63 1q8b s VAL 103 N 1.34 1.81 -0.95 1.60 1.01 -1.26 -5.00 120.40 118.95 1q8b s VAL 103 Ca 0.10 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1q8b s VAL 103 Cb -0.14 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.71 1q8b s VAL 103 CO 0.07 0.50 0.74 -0.46 0.00 0.00 0.00 175.10 175.95