#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8r n PRO 2 N 0.00 0.04 -0.23 1.61 -0.04 -1.26 -2.81 135.00 132.31 2q8r n PRO 2 Ca 0.00 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2q8r n PRO 2 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 2q8r n PRO 2 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2q8r n TYR 3 N -1.44 0.42 -2.40 0.54 4.01 -1.26 -5.03 117.16 112.00 2q8r n TYR 3 Ca 0.03 -0.92 -0.37 0.00 -0.16 0.00 0.00 57.90 56.48 2q8r n TYR 3 Cb 0.11 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.76 3.07 0.82 -0.72 -3.43 -1.12 -5.04 115.29 106.11 2q8r s HIS 4 Ca 0.35 1.59 -0.12 0.00 -0.80 0.00 0.00 55.06 56.08 2q8r s HIS 4 Cb 0.29 -3.25 0.08 0.00 -1.43 0.00 0.00 32.58 28.28 2q8r s HIS 4 CO 0.06 -1.07 1.10 -1.25 -2.00 0.00 0.00 174.74 171.58 2q8r s PRO 5 N -2.61 1.90 0.07 -0.38 0.04 -1.26 -5.04 135.00 127.73 2q8r s PRO 5 Ca 0.61 0.64 0.09 0.00 0.04 0.00 0.00 61.00 62.38 2q8r s PRO 5 Cb -0.25 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2q8r s PRO 5 CO 0.31 -1.75 -0.26 -1.12 0.04 0.00 0.00 177.00 174.23 2q8r s SER 6 N -3.85 3.08 0.04 6.66 0.01 -1.26 -5.11 113.70 113.27 2q8r s SER 6 Ca 0.61 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 2q8r s SER 6 Cb -0.15 -0.26 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 2q8r s SER 6 CO 0.54 0.22 1.35 -1.61 0.41 0.00 0.00 173.24 174.16 2q8r s GLU 7 N -1.43 4.32 0.09 12.44 8.01 -1.26 -5.03 118.70 135.84 2q8r s GLU 7 Ca 0.11 1.94 0.08 0.00 0.01 0.00 0.00 54.97 57.11 2q8r s GLU 7 Cb -0.10 -3.45 -0.03 0.00 -4.31 0.00 0.00 34.13 26.24 2q8r s GLU 7 CO 0.03 -0.48 -0.19 0.00 0.01 0.00 0.00 175.26 174.63 2q8r n PHE 10 N 2.72 0.00 -3.76 0.00 3.72 -1.26 -4.58 117.46 114.30 2q8r n PHE 10 Ca -0.16 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.86 2q8r n PHE 10 Cb 0.53 0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.84 3.74 0.52 4.37 2.01 -1.26 -5.10 115.64 118.07 2q8r s THR 11 Ca 0.00 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 60.67 2q8r s THR 11 Cb 0.00 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 2q8r s THR 11 CO 0.00 -0.18 1.01 -0.31 -0.69 0.00 0.00 174.62 174.45 2q8r s TYR 12 N 1.39 3.20 0.56 4.92 2.02 -1.26 -4.61 117.35 123.57 2q8r s TYR 12 Ca -0.02 1.53 -0.19 0.00 -0.37 0.00 0.00 57.07 58.02 2q8r s TYR 12 Cb -0.20 -2.92 -0.07 0.00 -0.40 0.00 0.00 41.96 38.37 2q8r s TYR 12 CO 0.03 -0.63 0.83 -2.37 -1.57 0.00 0.00 175.55 171.83 2q8r n THR 13 N -1.42 3.04 0.34 -0.71 5.66 0.04 -4.93 114.28 116.32 2q8r n THR 13 Ca 0.08 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.68 2q8r n THR 13 Cb 0.53 -1.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.48 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 -1.52 0.42 -4.11 1.09 -2.24 -1.26 -4.97 114.28 101.69 2q8r n THR 14 Ca 0.12 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 2q8r n THR 14 Cb 0.46 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.37 0.83 -0.23 4.78 -0.85 -1.26 -5.12 117.35 114.13 2q8r s TYR 15 Ca 0.31 -0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 2q8r s TYR 15 Cb 0.19 -0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.03 2q8r s TYR 15 CO 0.26 -0.07 1.47 0.21 -1.52 0.00 0.00 175.55 175.90 2q8r s LYS 16 N -2.29 3.92 0.08 -3.49 2.20 -1.26 -4.97 119.74 113.94 2q8r s LYS 16 Ca -0.02 1.57 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 2q8r s LYS 16 Cb -0.05 -3.95 -0.09 0.00 -1.51 0.00 0.00 37.83 32.23 2q8r s LYS 16 CO -0.01 -1.13 1.74 0.42 -0.36 0.00 0.00 175.35 176.02 2q8r s ILE 17 N 4.62 2.87 0.14 5.43 1.01 -1.26 -4.91 121.20 129.09 2q8r s ILE 17 Ca 0.64 0.30 -0.34 0.00 0.00 0.00 0.00 60.65 61.26 2q8r s ILE 17 Cb -0.22 -3.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.92 2q8r s ILE 17 CO 0.25 -0.00 1.63 -2.65 0.00 0.00 0.00 174.94 174.17 2q8r n PRO 18 N 5.84 2.22 -0.16 2.79 -0.02 -1.26 -4.83 135.00 139.58 2q8r n PRO 18 Ca 0.17 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.55 2q8r n PRO 18 Cb 0.40 -2.59 0.42 0.00 -0.02 0.00 0.00 33.50 31.71 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 6.44 0.58 -0.02 -0.52 9.65 -1.98 -2.01 114.38 126.52 2q8r h ARG 19 Ca -0.45 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2q8r h ARG 19 Cb 1.25 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2q8r h ARG 19 CO 0.90 0.38 0.06 -0.56 2.80 0.00 0.00 179.97 183.55 2q8r h GLN 20 N 0.60 0.00 0.00 0.20 3.07 -2.03 -1.75 115.11 115.20 2q8r h GLN 20 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 2q8r h GLN 20 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2q8r h GLN 20 CO -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 178.83 178.70 2q8r h ARG 21 N 0.00 0.00 -5.69 0.06 3.08 -1.73 -3.47 114.38 106.63 2q8r h ARG 21 Ca 0.01 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.47 2q8r h ARG 21 Cb 0.13 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.09 2q8r h ARG 21 CO -0.00 0.00 0.02 0.42 -1.07 0.00 0.00 179.97 179.34 2q8r s ILE 22 N -3.19 5.08 -0.17 2.04 1.01 -0.66 -0.46 121.20 124.85 2q8r s ILE 22 Ca 0.07 1.10 0.16 0.00 0.00 0.00 0.00 60.65 61.98 2q8r s ILE 22 Cb 0.08 -3.90 -0.22 0.00 0.01 0.00 0.00 42.46 38.43 2q8r s ILE 22 CO 0.66 0.19 0.06 0.23 0.00 0.00 0.00 174.94 176.09 2q8r n MET 23 N 4.53 1.13 -3.89 2.79 2.81 0.14 -4.89 117.12 119.73 2q8r n MET 23 Ca -0.03 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.82 2q8r n MET 23 Cb 0.50 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.58 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 -5.15 0.01 0.18 7.83 2.15 -1.12 -5.02 116.67 115.55 2q8r s ASP 24 Ca -0.09 -0.67 -0.13 0.00 0.43 0.00 0.00 52.55 52.09 2q8r s ASP 24 Cb 0.05 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2q8r s ASP 24 CO 0.72 -0.99 0.40 -0.72 -0.17 0.00 0.00 175.17 174.41 2q8r s TYR 25 N -2.15 0.12 0.00 -5.34 -0.85 -1.26 -1.05 117.35 106.82 2q8r s TYR 25 Ca 0.22 -0.48 -0.12 0.00 -0.52 0.00 0.00 57.07 56.17 2q8r s TYR 25 Cb -0.03 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.50 2q8r s TYR 25 CO 0.05 -0.81 0.25 1.52 -1.52 0.00 0.00 175.55 175.04 2q8r s TYR 26 N -3.91 -0.09 0.01 -3.49 -0.85 -0.12 -4.97 117.35 103.93 2q8r s TYR 26 Ca 0.13 0.07 -0.20 0.00 -0.52 0.00 0.00 57.07 56.54 2q8r s TYR 26 Cb 0.01 0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.34 2q8r s TYR 26 CO -0.02 -0.38 0.59 -2.00 -1.52 0.00 0.00 175.55 172.23 2q8r s GLU 27 N -1.60 4.30 0.71 -3.49 2.12 -1.26 -0.49 118.70 118.98 2q8r s GLU 27 Ca -0.12 0.74 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 2q8r s GLU 27 Cb -0.05 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.04 2q8r s GLU 27 CO 0.02 0.43 1.08 0.95 -0.54 0.00 0.00 175.26 177.20 2q8r s THR 28 N -0.40 3.55 -0.04 -1.70 -4.23 -0.74 -4.92 115.64 107.16 2q8r s THR 28 Ca 0.31 0.57 -0.39 0.00 -1.18 0.00 0.00 61.69 61.00 2q8r s THR 28 Cb -0.19 -3.13 -0.17 0.00 1.34 0.00 0.00 72.50 70.35 2q8r s THR 28 CO 0.18 -0.59 1.39 -3.20 -0.54 0.00 0.00 174.62 171.86 2q8r n ASN 29 N -3.01 1.45 0.07 3.99 2.85 -1.26 -4.81 115.26 114.54 2q8r n ASN 29 Ca 0.09 1.12 0.06 0.00 -0.11 0.00 0.00 54.58 55.74 2q8r n ASN 29 Cb 0.53 -1.11 0.31 0.00 1.24 0.00 0.00 39.78 40.75 2q8r n ASN 29 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2q8r n SER 30 N 3.00 0.28 0.13 1.20 3.41 -1.26 -1.25 113.62 119.13 2q8r n SER 30 Ca 0.21 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 2q8r n SER 30 Cb 0.14 -0.66 0.44 0.00 -0.26 0.00 0.00 64.21 63.88 2q8r n SER 30 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2q8r h GLN 31 N 0.00 0.00 -6.93 4.33 4.20 -1.96 -3.45 115.11 111.29 2q8r h GLN 31 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2q8r h GLN 31 Cb 0.07 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.01 2q8r h GLN 31 CO 0.00 0.00 0.25 0.00 -0.67 0.00 0.00 178.83 178.41 2q8r h SER 33 N 0.48 0.00 -4.28 0.00 4.64 -1.89 -3.43 113.55 109.07 2q8r h SER 33 Ca -0.49 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.29 2q8r h SER 33 Cb 1.36 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.20 2q8r h SER 33 CO 0.51 0.17 -0.83 -0.54 -0.87 0.00 0.00 176.83 175.28 2q8r s LYS 34 N -3.88 1.22 0.54 4.77 1.02 -1.26 -5.13 119.74 117.02 2q8r s LYS 34 Ca -0.01 -0.94 -0.21 0.00 0.02 0.00 0.00 55.97 54.84 2q8r s LYS 34 Cb 0.11 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 2q8r s LYS 34 CO 0.61 0.33 1.27 -2.14 -0.92 0.00 0.00 175.35 174.50 2q8r s PRO 35 N -1.31 3.21 -0.20 -1.68 0.02 -1.26 -4.67 135.00 129.11 2q8r s PRO 35 Ca 0.06 2.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 2q8r s PRO 35 Cb -0.09 -2.19 0.05 0.00 0.02 0.00 0.00 34.50 32.30 2q8r s PRO 35 CO 0.02 -1.06 0.52 0.20 -0.33 0.00 0.00 177.00 176.35 2q8r s GLY 36 N -1.24 -0.40 -0.19 0.52 0.00 -1.26 -4.69 107.32 100.06 2q8r s GLY 36 Ca 0.72 1.51 -0.02 0.00 0.00 0.00 0.00 44.72 46.93 2q8r s GLY 36 CO 0.40 1.34 -0.10 -0.42 0.00 0.00 0.00 173.10 174.32 2q8r s ILE 37 N 0.40 3.01 -0.28 0.90 -1.09 -0.50 -1.79 121.20 121.85 2q8r s ILE 37 Ca -0.01 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.66 2q8r s ILE 37 Cb -0.04 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2q8r s ILE 37 CO -0.01 0.47 0.22 -0.69 -1.23 0.00 0.00 174.94 173.70 2q8r s VAL 38 N 1.14 5.29 -0.02 2.92 1.01 0.35 -0.56 120.40 130.54 2q8r s VAL 38 Ca 0.01 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2q8r s VAL 38 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2q8r s VAL 38 CO -0.03 0.22 0.48 -0.36 0.00 0.00 0.00 175.10 175.41 2q8r s PHE 39 N 1.80 3.68 -0.24 5.22 0.08 -0.54 -0.94 117.98 127.03 2q8r s PHE 39 Ca 0.08 1.05 -0.09 0.00 0.12 0.00 0.00 56.93 58.10 2q8r s PHE 39 Cb -0.16 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2q8r s PHE 39 CO 0.11 0.47 0.11 0.42 -0.10 0.00 0.00 175.22 176.23 2q8r s ILE 40 N -0.53 4.77 0.47 0.64 1.01 -0.22 -0.66 121.20 126.68 2q8r s ILE 40 Ca 0.26 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.92 2q8r s ILE 40 Cb -0.17 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2q8r s ILE 40 CO 0.14 0.34 0.67 0.42 0.00 0.00 0.00 174.94 176.51 2q8r s THR 41 N 1.33 3.28 0.40 2.92 -4.23 -0.07 0.23 115.64 119.50 2q8r s THR 41 Ca 0.06 -0.73 0.12 0.00 -1.18 0.00 0.00 61.69 59.96 2q8r s THR 41 Cb -0.15 -3.18 0.33 0.00 1.34 0.00 0.00 72.50 70.84 2q8r s THR 41 CO 0.05 -0.11 1.93 0.50 -0.54 0.00 0.00 174.62 176.45 2q8r h LYS 42 N 0.38 0.51 -0.49 3.99 1.63 -1.10 -1.37 116.57 120.12 2q8r h LYS 42 Ca -0.43 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2q8r h LYS 42 Cb 1.28 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2q8r h LYS 42 CO 0.52 0.34 0.00 -2.13 -3.45 0.00 0.00 179.45 174.73 2q8r n ARG 43 N -4.49 2.21 -1.64 1.90 3.00 -1.26 -4.90 116.66 111.47 2q8r n ARG 43 Ca 0.13 -1.55 -0.06 0.00 -0.00 0.00 0.00 57.85 56.37 2q8r n ARG 43 Cb 0.43 -1.45 -0.02 0.00 0.00 0.00 0.00 32.46 31.43 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 1.00 0.50 3.84 5.14 0.00 -0.52 -5.04 105.19 110.11 2q8r n GLY 44 Ca 0.14 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.28 3.72 -0.14 1.61 3.76 -1.26 -4.91 115.29 115.79 2q8r s HIS 45 Ca 0.00 0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 55.84 2q8r s HIS 45 Cb 0.00 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2q8r s HIS 45 CO 0.00 0.64 0.01 -1.12 -0.85 0.00 0.00 174.74 173.42 2q8r s SER 46 N -1.04 5.21 -0.16 1.40 0.01 -1.26 -0.89 113.70 116.97 2q8r s SER 46 Ca 0.23 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2q8r s SER 46 Cb -0.16 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.34 2q8r s SER 46 CO 0.13 0.23 -0.10 -0.69 0.41 0.00 0.00 173.24 173.22 2q8r s VAL 47 N -0.00 1.40 0.19 3.43 1.01 0.17 -4.96 120.40 121.63 2q8r s VAL 47 Ca 0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2q8r s VAL 47 Cb -0.13 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.74 2q8r s VAL 47 CO 0.02 0.28 1.14 0.00 0.00 0.00 0.00 175.10 176.54 2q8r s THR 49 N -0.26 0.75 -0.36 0.00 -4.23 0.27 -0.78 115.64 111.04 2q8r s THR 49 Ca 0.50 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 2q8r s THR 49 Cb -0.31 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2q8r s THR 49 CO 0.36 -0.75 0.63 0.21 -0.54 0.00 0.00 174.62 174.54 2q8r s ASN 50 N -2.76 6.41 0.21 3.99 3.84 -1.26 -1.41 114.94 123.96 2q8r s ASN 50 Ca 0.08 0.09 0.15 0.00 0.21 0.00 0.00 52.86 53.38 2q8r s ASN 50 Cb 0.02 -2.32 0.78 0.00 -0.55 0.00 0.00 41.25 39.18 2q8r s ASN 50 CO -0.03 -0.61 1.45 -0.81 -2.79 0.00 0.00 177.10 174.31 2q8r n PRO 51 N 6.05 0.09 0.00 0.43 -0.04 -1.26 -1.00 135.00 139.27 2q8r n PRO 51 Ca -0.01 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 2q8r n PRO 51 Cb 0.48 -1.80 0.68 0.00 -0.04 0.00 0.00 33.50 32.83 2q8r n PRO 51 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2q8r n SER 52 N -2.00 0.19 -4.71 3.54 3.41 -1.26 -4.64 113.62 108.15 2q8r n SER 52 Ca -0.01 -0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 2q8r n SER 52 Cb 0.03 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 2q8r n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2q8r s ASP 53 N -2.56 7.37 0.21 4.04 1.01 -0.17 -4.97 116.67 121.60 2q8r s ASP 53 Ca 0.28 1.66 -0.10 0.00 0.71 0.00 0.00 52.55 55.10 2q8r s ASP 53 Cb 0.20 -2.57 0.25 0.00 1.01 0.00 0.00 42.92 41.81 2q8r s ASP 53 CO 0.48 -0.26 1.78 0.50 0.21 0.00 0.00 175.17 177.88 2q8r h LYS 54 N 6.79 0.55 -0.53 8.23 3.64 -1.88 -2.48 116.57 130.88 2q8r h LYS 54 Ca -0.41 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2q8r h LYS 54 Cb 1.22 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2q8r h LYS 54 CO 0.75 0.36 0.35 0.11 -2.27 0.00 0.00 179.45 178.75 2q8r h TRP 55 N 0.56 0.66 -0.25 1.91 5.08 -1.96 0.97 115.95 122.93 2q8r h TRP 55 Ca 0.30 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.27 2q8r h TRP 55 Cb 0.26 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.19 2q8r h TRP 55 CO -0.11 0.41 0.09 0.28 -1.28 0.00 0.00 178.44 177.83 2q8r h VAL 56 N 0.71 1.18 -0.36 0.12 2.07 -1.77 -0.13 116.25 118.06 2q8r h VAL 56 Ca 0.20 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 2q8r h VAL 56 Cb -0.06 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2q8r h VAL 56 CO -0.04 0.18 -0.23 1.56 0.02 0.00 0.00 177.57 179.05 2q8r h GLN 57 N 0.24 0.72 -0.46 1.57 1.08 -1.09 -1.48 115.11 115.69 2q8r h GLN 57 Ca 0.08 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 2q8r h GLN 57 Cb 0.19 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2q8r h GLN 57 CO -0.01 0.89 0.26 -0.44 -0.95 0.00 0.00 178.83 178.58 2q8r h ASP 58 N 0.63 0.57 -0.05 1.46 3.32 -0.70 -0.36 116.42 121.29 2q8r h ASP 58 Ca 0.09 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2q8r h ASP 58 Cb 0.73 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2q8r h ASP 58 CO 0.06 0.49 -0.07 1.88 -1.72 0.00 0.00 179.24 179.87 2q8r h TYR 59 N 0.61 -0.18 -0.28 4.55 -1.99 -0.76 -1.90 116.97 117.02 2q8r h TYR 59 Ca 0.16 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.94 2q8r h TYR 59 Cb 0.04 0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.82 2q8r h TYR 59 CO -0.02 -0.11 0.07 0.82 -0.00 0.00 0.00 178.16 178.91 2q8r h ILE 60 N -0.10 0.88 -0.44 -2.88 2.04 -1.04 -0.87 117.51 115.10 2q8r h ILE 60 Ca 0.05 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2q8r h ILE 60 Cb 0.17 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 2q8r h ILE 60 CO -0.11 0.03 -0.22 0.11 0.00 0.00 0.00 178.15 177.96 2q8r h LYS 61 N 0.18 -0.13 -0.24 2.37 1.57 -0.93 -2.60 116.57 116.78 2q8r h LYS 61 Ca 0.13 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2q8r h LYS 61 Cb 0.13 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2q8r h LYS 61 CO -0.16 -0.09 -0.20 -0.44 -0.57 0.00 0.00 179.45 177.99 2q8r h ASP 62 N -0.13 0.43 0.00 0.86 3.32 -0.84 -3.51 116.42 116.54 2q8r h ASP 62 Ca 0.21 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2q8r h ASP 62 Cb 0.46 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2q8r h ASP 62 CO -0.52 0.64 0.00 0.23 -1.72 0.00 0.00 179.24 177.87