#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8r h PRO 2 N 0.00 0.24 -0.43 1.61 0.11 -2.13 -2.91 132.00 128.49 2q8r h PRO 2 Ca 0.00 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.84 2q8r h PRO 2 Cb 0.00 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 30.90 2q8r h PRO 2 CO 0.00 0.16 -0.14 0.66 -0.21 0.00 0.00 178.00 178.47 2q8r n TYR 3 N -4.46 1.40 -2.29 0.65 4.01 -1.26 -5.04 117.16 110.18 2q8r n TYR 3 Ca 0.07 -1.79 -0.37 0.00 -0.16 0.00 0.00 57.90 55.65 2q8r n TYR 3 Cb 0.36 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 2q8r n TYR 3 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2q8r s HIS 4 N -3.34 2.90 0.85 -0.72 -3.43 -1.10 -5.02 115.29 105.43 2q8r s HIS 4 Ca 0.47 1.55 -0.11 0.00 -0.80 0.00 0.00 55.06 56.16 2q8r s HIS 4 Cb 0.41 -3.34 0.10 0.00 -1.43 0.00 0.00 32.58 28.32 2q8r s HIS 4 CO -0.00 -1.41 1.09 -1.25 -2.00 0.00 0.00 174.74 171.17 2q8r s PRO 5 N -2.73 1.64 -0.01 -0.38 0.04 -1.26 -5.07 135.00 127.24 2q8r s PRO 5 Ca 0.64 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.56 2q8r s PRO 5 Cb -0.27 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2q8r s PRO 5 CO 0.33 -1.98 -0.25 -1.12 0.04 0.00 0.00 177.00 174.03 2q8r s SER 6 N -3.57 2.96 -0.02 6.66 0.01 -1.26 -5.11 113.70 113.37 2q8r s SER 6 Ca 0.62 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.10 2q8r s SER 6 Cb -0.17 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 2q8r s SER 6 CO 0.56 0.29 1.30 -1.61 0.41 0.00 0.00 173.24 174.20 2q8r s GLU 7 N -0.72 4.32 0.09 12.44 8.01 -1.26 -5.03 118.70 136.56 2q8r s GLU 7 Ca 0.10 1.83 0.09 0.00 0.01 0.00 0.00 54.97 57.00 2q8r s GLU 7 Cb -0.10 -3.54 -0.03 0.00 -4.31 0.00 0.00 34.13 26.15 2q8r s GLU 7 CO -0.00 -0.50 -0.24 0.00 0.01 0.00 0.00 175.26 174.53 2q8r n PHE 10 N 2.46 0.00 -4.06 0.00 3.72 -1.26 -4.55 117.46 113.77 2q8r n PHE 10 Ca -0.14 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.93 2q8r n PHE 10 Cb 0.53 0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.92 2q8r n PHE 10 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2q8r s THR 11 N -1.97 2.32 0.58 4.37 2.01 -1.26 -5.11 115.64 116.58 2q8r s THR 11 Ca 0.00 -1.10 -0.12 0.00 0.31 0.00 0.00 61.69 60.78 2q8r s THR 11 Cb 0.00 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 2q8r s THR 11 CO 0.00 0.33 1.01 -0.31 -0.69 0.00 0.00 174.62 174.96 2q8r s TYR 12 N 1.26 3.58 0.46 4.92 2.02 -1.26 -4.65 117.35 123.67 2q8r s TYR 12 Ca 0.01 1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 57.79 2q8r s TYR 12 Cb -0.15 -2.72 -0.09 0.00 -0.40 0.00 0.00 41.96 38.59 2q8r s TYR 12 CO -0.09 -0.58 1.00 -2.37 -1.57 0.00 0.00 175.55 171.94 2q8r n THR 13 N -2.41 2.64 0.19 -0.71 5.66 -0.30 -4.91 114.28 114.44 2q8r n THR 13 Ca 0.06 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2q8r n THR 13 Cb 0.54 -1.17 0.23 0.00 -1.55 0.00 0.00 70.33 68.38 2q8r n THR 13 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2q8r n THR 14 N -0.72 0.58 -3.98 1.09 -2.24 -1.26 -4.94 114.28 102.82 2q8r n THR 14 Ca 0.10 -0.79 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 2q8r n THR 14 Cb 0.41 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 2q8r n THR 14 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2q8r s TYR 15 N -1.39 0.27 -0.11 4.78 -0.85 -1.26 -5.12 117.35 113.67 2q8r s TYR 15 Ca 0.40 -0.47 -0.29 0.00 -0.52 0.00 0.00 57.07 56.18 2q8r s TYR 15 Cb 0.23 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 2q8r s TYR 15 CO 0.31 -0.16 1.39 0.21 -1.52 0.00 0.00 175.55 175.78 2q8r s LYS 16 N -1.30 4.23 0.01 -3.49 2.20 -1.26 -4.97 119.74 115.16 2q8r s LYS 16 Ca -0.14 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.01 2q8r s LYS 16 Cb -0.09 -3.81 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 2q8r s LYS 16 CO -0.01 -0.73 1.55 0.42 -0.36 0.00 0.00 175.35 176.22 2q8r s ILE 17 N 3.52 3.43 0.17 5.43 1.01 -1.26 -4.94 121.20 128.56 2q8r s ILE 17 Ca 0.61 0.79 -0.33 0.00 0.00 0.00 0.00 60.65 61.71 2q8r s ILE 17 Cb -0.26 -3.51 -0.14 0.00 0.01 0.00 0.00 42.46 38.56 2q8r s ILE 17 CO 0.20 -0.02 1.51 -2.65 0.00 0.00 0.00 174.94 173.99 2q8r n PRO 18 N 5.83 2.03 -0.31 2.79 -0.02 -1.26 -4.88 135.00 139.18 2q8r n PRO 18 Ca 0.15 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.39 2q8r n PRO 18 Cb 0.42 -2.46 0.18 0.00 -0.02 0.00 0.00 33.50 31.62 2q8r n PRO 18 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2q8r h ARG 19 N 5.37 0.82 0.00 -0.52 9.65 -1.98 -2.09 114.38 125.64 2q8r h ARG 19 Ca -0.45 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2q8r h ARG 19 Cb 1.27 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2q8r h ARG 19 CO 0.85 0.55 0.00 -0.56 2.80 0.00 0.00 179.97 183.60 2q8r h GLN 20 N 0.85 0.00 0.00 0.20 3.07 -2.04 -2.07 115.11 115.13 2q8r h GLN 20 Ca 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.15 2q8r h GLN 20 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 2q8r h GLN 20 CO -0.24 0.00 -0.02 -0.09 0.09 0.00 0.00 178.83 178.57 2q8r h ARG 21 N 0.00 0.00 -5.76 0.06 2.43 -1.75 -3.46 114.38 105.90 2q8r h ARG 21 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2q8r h ARG 21 Cb 0.17 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 2q8r h ARG 21 CO 0.00 0.02 -0.19 0.42 -1.51 0.00 0.00 179.97 178.71 2q8r s ILE 22 N -3.36 5.17 -0.08 1.20 1.01 -0.78 -1.08 121.20 123.28 2q8r s ILE 22 Ca 0.05 0.86 0.10 0.00 0.00 0.00 0.00 60.65 61.66 2q8r s ILE 22 Cb 0.06 -3.76 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 2q8r s ILE 22 CO 0.63 0.40 0.11 0.23 0.00 0.00 0.00 174.94 176.31 2q8r n MET 23 N 3.20 1.60 -3.82 2.79 2.81 0.81 -4.86 117.12 119.66 2q8r n MET 23 Ca -0.10 -0.04 -0.06 0.00 -1.81 0.00 0.00 57.70 55.70 2q8r n MET 23 Cb 0.52 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2q8r n MET 23 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2q8r s ASP 24 N -4.01 -0.10 0.14 7.83 2.15 -1.07 -5.02 116.67 116.60 2q8r s ASP 24 Ca -0.05 -0.75 -0.15 0.00 0.43 0.00 0.00 52.55 52.03 2q8r s ASP 24 Cb 0.05 0.66 0.03 0.00 -0.30 0.00 0.00 42.92 43.35 2q8r s ASP 24 CO 0.46 -1.27 0.40 -0.72 -0.17 0.00 0.00 175.17 173.87 2q8r s TYR 25 N -2.86 -0.09 0.10 -5.34 -0.85 -1.26 -0.86 117.35 106.19 2q8r s TYR 25 Ca 0.15 -0.25 -0.06 0.00 -0.52 0.00 0.00 57.07 56.40 2q8r s TYR 25 Cb -0.04 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 2q8r s TYR 25 CO 0.07 -0.75 0.13 1.52 -1.52 0.00 0.00 175.55 175.00 2q8r s TYR 26 N -3.84 0.41 -0.11 -3.49 -0.85 -0.60 -4.98 117.35 103.88 2q8r s TYR 26 Ca 0.06 -0.84 -0.14 0.00 -0.52 0.00 0.00 57.07 55.63 2q8r s TYR 26 Cb 0.02 -0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.10 2q8r s TYR 26 CO -0.08 -0.53 0.34 -2.00 -1.52 0.00 0.00 175.55 171.75 2q8r s GLU 27 N -3.93 4.13 0.55 -3.49 2.12 -1.26 -0.84 118.70 115.98 2q8r s GLU 27 Ca 0.11 0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.47 2q8r s GLU 27 Cb 0.06 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 2q8r s GLU 27 CO -0.07 0.37 1.10 0.95 -0.54 0.00 0.00 175.26 177.08 2q8r s THR 28 N 0.02 3.38 0.10 -1.70 -4.23 -0.39 -4.93 115.64 107.88 2q8r s THR 28 Ca 0.20 0.81 -0.36 0.00 -1.18 0.00 0.00 61.69 61.15 2q8r s THR 28 Cb -0.14 -3.31 -0.17 0.00 1.34 0.00 0.00 72.50 70.22 2q8r s THR 28 CO 0.07 -0.23 1.32 -3.20 -0.54 0.00 0.00 174.62 172.04 2q8r n ASN 29 N -1.44 1.60 0.34 3.99 2.85 -1.26 -4.75 115.26 116.58 2q8r n ASN 29 Ca 0.11 1.12 0.20 0.00 -0.11 0.00 0.00 54.58 55.90 2q8r n ASN 29 Cb 0.52 -1.19 1.07 0.00 1.24 0.00 0.00 39.78 41.41 2q8r n ASN 29 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2q8r h SER 30 N 4.41 0.00 0.93 1.20 4.64 -1.95 -1.25 113.55 121.53 2q8r h SER 30 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2q8r h SER 30 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2q8r h SER 30 CO 0.77 0.00 -0.04 1.56 -0.87 0.00 0.00 176.83 178.24 2q8r h GLN 31 N 0.00 0.00 -7.15 4.77 4.20 -1.96 -3.44 115.11 111.53 2q8r h GLN 31 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2q8r h GLN 31 Cb 0.24 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.20 2q8r h GLN 31 CO 0.00 0.04 0.40 0.00 -0.67 0.00 0.00 178.83 178.60 2q8r h SER 33 N -0.30 0.00 -4.11 0.00 4.64 -1.88 -3.44 113.55 108.46 2q8r h SER 33 Ca -0.48 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.21 2q8r h SER 33 Cb 1.32 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.18 2q8r h SER 33 CO 0.49 0.30 -0.85 -0.54 -0.87 0.00 0.00 176.83 175.36 2q8r s LYS 34 N -3.77 1.34 0.68 4.77 1.02 -1.26 -5.14 119.74 117.37 2q8r s LYS 34 Ca -0.01 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 54.65 2q8r s LYS 34 Cb 0.11 -1.66 0.01 0.00 -0.52 0.00 0.00 37.83 35.78 2q8r s LYS 34 CO 0.66 0.40 1.10 -2.14 -0.92 0.00 0.00 175.35 174.46 2q8r s PRO 35 N -1.79 2.70 -0.27 -1.68 0.02 -1.26 -4.69 135.00 128.02 2q8r s PRO 35 Ca 0.10 1.33 -0.25 0.00 0.02 0.00 0.00 61.00 62.20 2q8r s PRO 35 Cb -0.10 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.56 2q8r s PRO 35 CO 0.04 -1.32 0.79 0.20 -0.33 0.00 0.00 177.00 176.38 2q8r s GLY 36 N -2.78 -0.46 -0.18 0.52 0.00 -1.26 -4.76 107.32 98.39 2q8r s GLY 36 Ca 0.65 2.19 -0.02 0.00 0.00 0.00 0.00 44.72 47.55 2q8r s GLY 36 CO 0.45 1.80 -0.10 -0.42 0.00 0.00 0.00 173.10 174.82 2q8r s ILE 37 N 0.40 3.01 -0.31 0.90 -1.09 -0.74 -1.26 121.20 122.11 2q8r s ILE 37 Ca 0.00 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 2q8r s ILE 37 Cb -0.05 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2q8r s ILE 37 CO -0.01 0.48 0.20 -0.69 -1.23 0.00 0.00 174.94 173.69 2q8r s VAL 38 N 1.10 5.22 0.05 2.92 1.01 -0.02 -0.30 120.40 130.38 2q8r s VAL 38 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2q8r s VAL 38 Cb -0.15 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2q8r s VAL 38 CO -0.02 0.14 0.54 -0.36 0.00 0.00 0.00 175.10 175.39 2q8r s PHE 39 N 1.73 3.77 -0.24 5.22 0.08 -0.41 -1.55 117.98 126.58 2q8r s PHE 39 Ca 0.06 1.20 -0.06 0.00 0.12 0.00 0.00 56.93 58.25 2q8r s PHE 39 Cb -0.17 -2.47 -0.02 0.00 -0.57 0.00 0.00 43.02 39.79 2q8r s PHE 39 CO 0.10 0.56 0.03 0.42 -0.10 0.00 0.00 175.22 176.24 2q8r s ILE 40 N -0.96 4.05 0.60 0.64 1.01 -0.04 -0.38 121.20 126.11 2q8r s ILE 40 Ca 0.28 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2q8r s ILE 40 Cb -0.19 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2q8r s ILE 40 CO 0.17 0.37 0.91 0.42 0.00 0.00 0.00 174.94 176.81 2q8r s THR 41 N 1.51 3.52 0.55 2.92 -4.23 -0.07 -0.13 115.64 119.70 2q8r s THR 41 Ca 0.06 -0.03 0.23 0.00 -1.18 0.00 0.00 61.69 60.77 2q8r s THR 41 Cb -0.15 -3.41 0.32 0.00 1.34 0.00 0.00 72.50 70.61 2q8r s THR 41 CO 0.02 -0.42 2.15 0.11 -0.54 0.00 0.00 174.62 175.93 2q8r h LYS 42 N -0.21 0.00 -0.31 3.99 1.57 -1.43 0.64 116.57 120.81 2q8r h LYS 42 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2q8r h LYS 42 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2q8r h LYS 42 CO 0.61 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 177.36 2q8r n ARG 43 N -4.22 1.81 -1.03 3.15 3.00 -1.26 -4.92 116.66 113.18 2q8r n ARG 43 Ca -0.00 -1.25 -0.01 0.00 -0.00 0.00 0.00 57.85 56.58 2q8r n ARG 43 Cb 0.20 -1.31 -0.00 0.00 0.00 0.00 0.00 32.46 31.34 2q8r n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2q8r n GLY 44 N 1.09 0.48 3.81 5.14 0.00 0.22 -5.03 105.19 110.90 2q8r n GLY 44 Ca 0.13 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2q8r n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q8r s HIS 45 N -2.04 3.79 -0.16 1.61 3.76 -1.26 -4.86 115.29 116.14 2q8r s HIS 45 Ca 0.00 1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 56.10 2q8r s HIS 45 Cb 0.00 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 2q8r s HIS 45 CO 0.00 0.58 0.05 -1.12 -0.85 0.00 0.00 174.74 173.40 2q8r s SER 46 N -1.15 5.53 -0.16 1.40 0.01 -1.26 -0.90 113.70 117.17 2q8r s SER 46 Ca 0.29 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2q8r s SER 46 Cb -0.19 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.19 2q8r s SER 46 CO 0.19 0.22 -0.09 -0.69 0.41 0.00 0.00 173.24 173.28 2q8r s VAL 47 N 0.09 1.34 0.22 3.43 1.01 0.49 -4.96 120.40 122.02 2q8r s VAL 47 Ca 0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2q8r s VAL 47 Cb -0.12 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 2q8r s VAL 47 CO 0.01 0.26 1.26 0.00 0.00 0.00 0.00 175.10 176.63 2q8r s THR 49 N -0.23 0.58 -0.32 0.00 -4.23 0.59 -1.15 115.64 110.87 2q8r s THR 49 Ca 0.53 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 2q8r s THR 49 Cb -0.35 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2q8r s THR 49 CO 0.40 -0.69 0.60 0.21 -0.54 0.00 0.00 174.62 174.60 2q8r s ASN 50 N -3.08 6.44 0.65 3.99 3.84 -1.26 -1.79 114.94 123.73 2q8r s ASN 50 Ca 0.17 0.29 0.39 0.00 0.21 0.00 0.00 52.86 53.92 2q8r s ASN 50 Cb 0.06 -2.32 2.15 0.00 -0.55 0.00 0.00 41.25 40.59 2q8r s ASN 50 CO -0.01 -0.49 2.27 -0.65 -2.79 0.00 0.00 177.10 175.43 2q8r h PRO 51 N 8.29 0.00 0.00 0.43 0.11 -1.90 -1.17 132.00 137.75 2q8r h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2q8r h PRO 51 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2q8r h PRO 51 CO 0.80 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.25 2q8r h SER 52 N 0.00 0.00 -3.01 -2.05 4.64 -1.98 -3.41 113.55 107.74 2q8r h SER 52 Ca 0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 2q8r h SER 52 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2q8r h SER 52 CO -0.00 0.00 0.74 -1.81 -0.87 0.00 0.00 176.83 174.89 2q8r s ASP 53 N -4.66 6.94 0.25 4.97 1.01 -0.45 -4.94 116.67 119.79 2q8r s ASP 53 Ca 0.04 2.03 -0.04 0.00 0.71 0.00 0.00 52.55 55.29 2q8r s ASP 53 Cb 0.09 -2.56 0.47 0.00 1.01 0.00 0.00 42.92 41.93 2q8r s ASP 53 CO 0.46 -0.64 1.71 0.11 0.21 0.00 0.00 175.17 177.02 2q8r h LYS 54 N 7.48 0.35 -0.40 8.23 1.57 -1.89 -1.64 116.57 130.28 2q8r h LYS 54 Ca -0.38 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2q8r h LYS 54 Cb 1.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2q8r h LYS 54 CO 0.88 0.23 0.14 0.11 -0.57 0.00 0.00 179.45 180.24 2q8r h TRP 55 N 0.36 0.56 -0.03 -1.35 5.08 -1.96 0.48 115.95 119.10 2q8r h TRP 55 Ca 0.42 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.36 2q8r h TRP 55 Cb 0.68 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2q8r h TRP 55 CO -0.20 0.46 0.01 0.28 -1.28 0.00 0.00 178.44 177.71 2q8r h VAL 56 N 0.56 1.16 -0.71 0.12 2.07 -1.63 -0.99 116.25 116.83 2q8r h VAL 56 Ca 0.14 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2q8r h VAL 56 Cb 0.15 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2q8r h VAL 56 CO -0.01 0.13 0.28 1.56 0.02 0.00 0.00 177.57 179.55 2q8r h GLN 57 N -0.14 1.05 -0.65 1.57 1.08 -1.01 -1.71 115.11 115.29 2q8r h GLN 57 Ca 0.01 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2q8r h GLN 57 Cb 0.20 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2q8r h GLN 57 CO -0.00 0.85 0.30 -0.44 -0.95 0.00 0.00 178.83 178.60 2q8r h ASP 58 N 1.03 0.87 -0.22 1.46 3.32 -0.80 -1.72 116.42 120.35 2q8r h ASP 58 Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2q8r h ASP 58 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2q8r h ASP 58 CO -0.02 0.77 0.08 1.88 -1.72 0.00 0.00 179.24 180.23 2q8r h TYR 59 N 0.91 0.33 -0.45 4.55 -1.99 -0.89 -2.01 116.97 117.42 2q8r h TYR 59 Ca 0.22 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.97 2q8r h TYR 59 Cb 0.14 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 2q8r h TYR 59 CO 0.01 0.38 0.21 0.82 -0.00 0.00 0.00 178.16 179.57 2q8r h ILE 60 N 0.19 0.93 -0.42 -2.88 2.04 -1.15 -0.53 117.51 115.69 2q8r h ILE 60 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2q8r h ILE 60 Cb 0.19 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2q8r h ILE 60 CO -0.00 0.08 0.27 0.50 0.00 0.00 0.00 178.15 178.99 2q8r h LYS 61 N 0.41 0.55 -0.74 2.37 3.64 -1.21 -2.44 116.57 119.17 2q8r h LYS 61 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2q8r h LYS 61 Cb 0.14 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2q8r h LYS 61 CO -0.17 0.38 0.47 0.22 -2.27 0.00 0.00 179.45 178.08 2q8r h ASP 62 N 0.56 0.86 0.00 4.20 3.58 -0.91 -3.52 116.42 121.19 2q8r h ASP 62 Ca 0.15 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2q8r h ASP 62 Cb -0.05 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.79 2q8r h ASP 62 CO -0.03 0.64 0.00 0.23 -2.88 0.00 0.00 179.24 177.19