#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 -0.51 1.61 -0.04 -1.26 -3.29 135.00 131.56 2q8r n PRO 2 Ca 0.00 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 2q8r n PRO 2 Cb 0.00 -1.57 0.31 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.65 1.22 -2.07 0.54 4.01 -1.26 -4.98 117.16 112.97 2q8r n TYR 3 Ca 0.04 -0.62 -0.35 0.00 -0.16 0.00 0.00 57.90 56.82 2q8r n TYR 3 Cb 0.23 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.76 2.57 0.86 -0.72 -3.43 -1.21 -5.01 115.29 106.59 2q8r s HIS 4 Ca 0.46 1.54 -0.12 0.00 -0.80 0.00 0.00 55.06 56.14 2q8r s HIS 4 Cb 0.29 -3.32 0.11 0.00 -1.43 0.00 0.00 32.58 28.23 2q8r s HIS 4 CO 0.22 -1.79 1.10 -1.25 -2.00 0.00 0.00 174.74 171.02 2q8r s PRO 5 N -3.48 1.54 0.03 -0.38 0.04 -1.26 -5.07 135.00 126.41 2q8r s PRO 5 Ca 0.73 0.71 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2q8r s PRO 5 Cb -0.25 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2q8r s PRO 5 CO 0.32 -2.02 -0.25 -1.12 0.04 0.00 0.00 177.00 173.97 2q8r s SER 6 N -3.64 3.03 0.07 6.66 0.01 -1.26 -5.11 113.70 113.46 2q8r s SER 6 Ca 0.62 -0.54 -0.31 0.00 1.31 0.00 0.00 55.95 57.03 2q8r s SER 6 Cb -0.16 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.71 2q8r s SER 6 CO 0.56 0.26 1.37 -1.61 0.41 0.00 0.00 173.24 174.23 2q8r s GLU 7 N -1.04 4.32 0.13 12.44 8.01 -1.26 -5.02 118.70 136.28 2q8r s GLU 7 Ca 0.11 2.00 0.08 0.00 0.01 0.00 0.00 54.97 57.16 2q8r s GLU 7 Cb -0.10 -3.39 -0.04 0.00 -4.31 0.00 0.00 34.13 26.30 2q8r s GLU 7 CO 0.01 -0.47 -0.18 0.00 0.01 0.00 0.00 175.26 174.64 2q8r n PHE 10 N 3.30 0.00 -4.14 0.00 3.72 -1.26 -4.64 117.46 114.45 2q8r n PHE 10 Ca -0.17 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.07 2q8r n PHE 10 Cb 0.53 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.38 2q8r n PHE 10 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2q8r s THR 11 N -2.46 0.86 0.03 4.37 -4.23 -1.26 -5.12 115.64 107.83 2q8r s THR 11 Ca -0.06 -1.16 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 2q8r s THR 11 Cb 0.05 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 2q8r s THR 11 CO 0.54 -0.26 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.02 2q8r s TYR 12 N -1.25 2.97 0.56 3.99 2.02 -1.26 -4.72 117.35 119.66 2q8r s TYR 12 Ca -0.05 0.00 -0.20 0.00 -0.37 0.00 0.00 57.07 56.45 2q8r s TYR 12 Cb -0.10 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 2q8r s TYR 12 CO 0.01 0.43 1.23 -0.08 -1.57 0.00 0.00 175.55 175.58 2q8r s THR 13 N -1.12 2.60 -2.61 -0.71 -1.32 -0.46 -4.93 115.64 107.09 2q8r s THR 13 Ca 0.20 0.40 0.22 0.00 -1.21 0.00 0.00 61.69 61.31 2q8r s THR 13 Cb -0.11 -3.18 0.13 0.00 -1.51 0.00 0.00 72.50 67.82 2q8r s THR 13 CO 0.11 -0.05 1.18 0.35 -2.21 0.00 0.00 174.62 174.00 2q8r n THR 14 N -1.26 0.00 -3.40 5.08 -2.24 -1.26 -4.66 114.28 106.54 2q8r n THR 14 Ca 0.12 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 2q8r n THR 14 Cb 0.48 1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 70.03 2q8r n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2q8r s TYR 15 N -2.03 3.21 -0.07 4.78 2.02 -1.26 -5.03 117.35 118.97 2q8r s TYR 15 Ca 0.24 0.01 -0.33 0.00 -0.37 0.00 0.00 57.07 56.62 2q8r s TYR 15 Cb 0.19 -2.67 -0.11 0.00 -0.40 0.00 0.00 41.96 38.97 2q8r s TYR 15 CO 0.36 -0.42 1.93 1.17 -1.57 0.00 0.00 175.55 177.02 2q8r n LYS 16 N 5.38 2.34 -2.39 -0.62 4.81 -1.26 -4.91 118.16 121.51 2q8r n LYS 16 Ca -0.09 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 2q8r n LYS 16 Cb 0.49 -2.77 -0.03 0.00 0.02 0.00 0.00 35.03 32.75 2q8r n LYS 16 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2q8r s ILE 17 N 4.48 4.02 0.01 3.15 1.01 -1.26 -4.94 121.20 127.67 2q8r s ILE 17 Ca 0.93 1.41 -0.36 0.00 0.00 0.00 0.00 60.65 62.63 2q8r s ILE 17 Cb -0.61 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 37.80 2q8r s ILE 17 CO 0.48 0.05 1.53 -2.65 0.00 0.00 0.00 174.94 174.36 2q8r n PRO 18 N 4.59 1.49 -0.19 2.79 -0.02 -1.26 -4.83 135.00 137.56 2q8r n PRO 18 Ca 0.10 0.54 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 2q8r n PRO 18 Cb 0.46 -2.24 0.34 0.00 -0.02 0.00 0.00 33.50 32.03 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 5.88 0.76 -0.77 -0.52 9.65 -1.97 -1.37 114.38 126.05 2q8r h ARG 19 Ca -0.47 -0.05 0.21 0.00 -1.10 0.00 0.00 59.98 58.58 2q8r h ARG 19 Cb 1.31 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 2q8r h ARG 19 CO 0.86 0.51 0.55 0.37 2.80 0.00 0.00 179.97 185.05 2q8r h GLN 20 N 0.79 0.05 0.00 0.20 4.15 -2.04 -0.92 115.11 117.35 2q8r h GLN 20 Ca 0.32 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2q8r h GLN 20 Cb 0.23 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2q8r h GLN 20 CO -0.10 0.04 0.00 0.00 -1.93 0.00 0.00 178.83 176.83 2q8r h ARG 21 N 0.06 0.00 -6.03 1.69 3.08 -1.61 -3.47 114.38 108.10 2q8r h ARG 21 Ca 0.37 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.85 2q8r h ARG 21 Cb 1.39 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.39 2q8r h ARG 21 CO -0.03 0.00 0.28 0.42 -1.07 0.00 0.00 179.97 179.57 2q8r s ILE 22 N -3.20 4.94 -0.10 2.04 1.01 -0.35 -0.60 121.20 124.94 2q8r s ILE 22 Ca 0.08 1.62 0.14 0.00 0.00 0.00 0.00 60.65 62.49 2q8r s ILE 22 Cb 0.06 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.20 2q8r s ILE 22 CO 0.66 0.12 0.17 0.23 0.00 0.00 0.00 174.94 176.12 2q8r n MET 23 N 4.55 1.13 -3.81 2.79 2.81 0.88 -4.89 117.12 120.56 2q8r n MET 23 Ca 0.03 -0.06 -0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2q8r n MET 23 Cb 0.50 -1.38 0.01 0.00 -0.71 0.00 0.00 33.22 31.63 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 -4.43 -0.04 0.12 7.83 -1.08 -1.12 -5.00 116.67 112.95 2q8r s ASP 24 Ca -0.07 -0.36 -0.12 0.00 -0.52 0.00 0.00 52.55 51.48 2q8r s ASP 24 Cb 0.07 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.85 2q8r s ASP 24 CO 0.63 -0.61 0.31 -0.72 0.52 0.00 0.00 175.17 175.31 2q8r s TYR 25 N -2.39 0.05 0.07 -5.34 -0.85 -1.26 -0.95 117.35 106.68 2q8r s TYR 25 Ca 0.20 -0.42 -0.06 0.00 -0.52 0.00 0.00 57.07 56.26 2q8r s TYR 25 Cb 0.00 0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 2q8r s TYR 25 CO 0.01 -0.66 0.12 1.52 -1.52 0.00 0.00 175.55 175.01 2q8r s TYR 26 N -3.86 0.25 -0.03 -3.49 -0.85 -0.46 -4.98 117.35 103.92 2q8r s TYR 26 Ca 0.07 -0.69 -0.13 0.00 -0.52 0.00 0.00 57.07 55.80 2q8r s TYR 26 Cb 0.03 -0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 2q8r s TYR 26 CO -0.09 -0.47 0.35 -1.21 -1.52 0.00 0.00 175.55 172.62 2q8r s GLU 27 N -3.67 3.84 0.60 -3.49 2.02 -1.26 -0.94 118.70 115.81 2q8r s GLU 27 Ca 0.04 0.30 -0.15 0.00 0.02 0.00 0.00 54.97 55.18 2q8r s GLU 27 Cb 0.05 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 2q8r s GLU 27 CO -0.10 0.68 1.04 0.95 0.02 0.00 0.00 175.26 177.86 2q8r s THR 28 N -0.98 4.10 0.32 3.63 -4.23 -0.59 -4.96 115.64 112.92 2q8r s THR 28 Ca 0.22 0.91 -0.27 0.00 -1.18 0.00 0.00 61.69 61.36 2q8r s THR 28 Cb -0.16 -3.51 -0.13 0.00 1.34 0.00 0.00 72.50 70.05 2q8r s THR 28 CO 0.11 -0.67 1.07 -3.20 -0.54 0.00 0.00 174.62 171.39 2q8r n ASN 29 N -2.20 1.60 0.20 3.99 2.85 -1.26 -4.81 115.26 115.63 2q8r n ASN 29 Ca 0.08 1.16 0.18 0.00 -0.11 0.00 0.00 54.58 55.89 2q8r n ASN 29 Cb 0.53 -1.34 0.81 0.00 1.24 0.00 0.00 39.78 41.03 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 2.04 0.00 1.06 1.20 4.64 -1.98 -2.14 113.55 118.37 2q8r h SER 30 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2q8r h SER 30 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2q8r h SER 30 CO 0.60 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.52 2q8r n GLN 31 N -3.51 0.06 -1.81 4.77 6.02 -1.26 -4.86 117.38 116.79 2q8r n GLN 31 Ca 0.03 0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.69 2q8r n GLN 31 Cb 0.44 -1.56 0.05 0.00 1.02 0.00 0.00 30.24 30.19 2q8r n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2q8r h SER 33 N 1.00 0.25 -4.79 0.00 4.64 -1.90 -3.43 113.55 109.32 2q8r h SER 33 Ca -0.51 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.55 2q8r h SER 33 Cb 1.31 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 2q8r h SER 33 CO 0.55 0.40 -0.70 -1.59 -0.87 0.00 0.00 176.83 174.62 2q8r s LYS 34 N -4.75 0.68 0.67 4.77 -2.85 -1.26 -5.16 119.74 111.83 2q8r s LYS 34 Ca -0.06 -1.12 -0.11 0.00 -1.00 0.00 0.00 55.97 53.69 2q8r s LYS 34 Cb 0.15 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.79 2q8r s LYS 34 CO 0.73 -0.02 1.05 -1.25 0.10 0.00 0.00 175.35 175.96 2q8r s PRO 35 N -3.12 3.17 -0.10 1.78 0.04 -1.26 -4.65 135.00 130.86 2q8r s PRO 35 Ca 0.03 0.90 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 2q8r s PRO 35 Cb 0.01 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2q8r s PRO 35 CO -0.04 -0.91 0.52 0.20 0.04 0.00 0.00 177.00 176.80 2q8r s GLY 36 N -3.89 -0.39 -0.25 0.56 0.00 -1.26 -4.68 107.32 97.41 2q8r s GLY 36 Ca 0.57 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 46.35 2q8r s GLY 36 CO 0.54 0.86 0.05 -0.42 0.00 0.00 0.00 173.10 174.14 2q8r s ILE 37 N -0.64 4.12 -0.29 0.90 -1.09 -0.86 -1.54 121.20 121.79 2q8r s ILE 37 Ca -0.07 -0.29 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 2q8r s ILE 37 Cb -0.03 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2q8r s ILE 37 CO 0.05 0.32 0.20 -0.69 -1.23 0.00 0.00 174.94 173.58 2q8r s VAL 38 N 1.58 5.28 0.07 2.92 1.01 -0.11 -0.52 120.40 130.63 2q8r s VAL 38 Ca 0.06 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 2q8r s VAL 38 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2q8r s VAL 38 CO 0.02 0.21 0.49 -0.36 0.00 0.00 0.00 175.10 175.46 2q8r s PHE 39 N 1.75 3.70 -0.18 5.22 0.08 -0.37 -1.36 117.98 126.83 2q8r s PHE 39 Ca 0.07 1.06 -0.05 0.00 0.12 0.00 0.00 56.93 58.14 2q8r s PHE 39 Cb -0.16 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 2q8r s PHE 39 CO 0.11 0.56 -0.01 0.42 -0.10 0.00 0.00 175.22 176.20 2q8r s ILE 40 N -1.22 4.05 0.39 0.64 1.01 -0.13 -0.65 121.20 125.30 2q8r s ILE 40 Ca 0.30 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.73 2q8r s ILE 40 Cb -0.17 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2q8r s ILE 40 CO 0.17 0.47 0.47 0.42 0.00 0.00 0.00 174.94 176.46 2q8r s THR 41 N 0.58 3.21 0.36 2.92 -4.23 -0.04 -0.09 115.64 118.36 2q8r s THR 41 Ca -0.01 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2q8r s THR 41 Cb -0.14 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.84 2q8r s THR 41 CO 0.02 -0.05 2.01 0.50 -0.54 0.00 0.00 174.62 176.55 2q8r h LYS 42 N 0.86 0.73 -0.02 3.99 3.64 -1.20 -0.42 116.57 124.14 2q8r h LYS 42 Ca -0.42 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2q8r h LYS 42 Cb 1.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2q8r h LYS 42 CO 0.51 0.50 0.00 0.54 -2.27 0.00 0.00 179.45 178.74 2q8r n ARG 43 N -4.43 1.14 -0.32 1.90 1.74 -1.26 -4.90 116.66 110.53 2q8r n ARG 43 Ca 0.05 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2q8r n ARG 43 Cb 0.07 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2q8r n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2q8r n GLY 44 N 0.91 0.82 3.93 -0.13 0.00 -0.17 -5.08 105.19 105.47 2q8r n GLY 44 Ca 0.17 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.48 -0.16 1.61 3.76 -1.25 -4.83 115.29 115.90 2q8r s HIS 45 Ca 0.00 0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 2q8r s HIS 45 Cb 0.00 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 2q8r s HIS 45 CO 0.00 0.27 -0.12 -1.12 -0.85 0.00 0.00 174.74 172.91 2q8r s SER 46 N -3.42 3.88 -0.17 1.40 0.01 -1.26 -0.86 113.70 113.27 2q8r s SER 46 Ca 0.40 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2q8r s SER 46 Cb -0.10 -1.61 0.03 0.00 0.21 0.00 0.00 66.02 64.54 2q8r s SER 46 CO 0.31 0.08 -0.12 -0.69 0.41 0.00 0.00 173.24 173.23 2q8r s VAL 47 N 0.87 1.61 0.10 3.43 1.01 0.18 -4.94 120.40 122.65 2q8r s VAL 47 Ca -0.03 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 2q8r s VAL 47 Cb -0.15 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2q8r s VAL 47 CO -0.00 0.31 1.29 0.00 0.00 0.00 0.00 175.10 176.70 2q8r s THR 49 N 1.01 1.00 -0.29 0.00 -4.23 0.32 -1.36 115.64 112.10 2q8r s THR 49 Ca 0.61 -1.87 -0.27 0.00 -1.18 0.00 0.00 61.69 58.98 2q8r s THR 49 Cb -0.33 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 71.89 2q8r s THR 49 CO 0.30 -0.69 0.99 0.21 -0.54 0.00 0.00 174.62 174.89 2q8r s ASN 50 N -2.85 6.91 0.65 3.99 3.84 -1.26 -2.03 114.94 124.19 2q8r s ASN 50 Ca 0.11 1.06 0.37 0.00 0.21 0.00 0.00 52.86 54.61 2q8r s ASN 50 Cb 0.01 -2.51 2.02 0.00 -0.55 0.00 0.00 41.25 40.23 2q8r s ASN 50 CO -0.01 -0.74 2.19 -0.65 -2.79 0.00 0.00 177.10 175.10 2q8r h PRO 51 N 7.89 0.00 0.00 0.43 0.11 -1.92 -1.31 132.00 137.20 2q8r h PRO 51 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2q8r h PRO 51 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2q8r h PRO 51 CO 0.97 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.49 2q8r n SER 52 N -3.22 0.33 -4.73 -2.05 3.41 -1.26 -4.56 113.62 101.55 2q8r n SER 52 Ca -0.02 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.53 2q8r n SER 52 Cb 0.21 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 -3.46 6.85 0.24 4.04 1.01 -0.50 -4.92 116.67 119.94 2q8r s ASP 53 Ca 0.12 2.38 -0.07 0.00 0.71 0.00 0.00 52.55 55.70 2q8r s ASP 53 Cb 0.17 -2.60 0.25 0.00 1.01 0.00 0.00 42.92 41.75 2q8r s ASP 53 CO 0.59 -0.59 1.92 0.50 0.21 0.00 0.00 175.17 177.80 2q8r h LYS 54 N 5.98 1.27 -0.35 8.23 3.64 -1.89 -2.15 116.57 131.30 2q8r h LYS 54 Ca -0.44 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 2q8r h LYS 54 Cb 1.21 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2q8r h LYS 54 CO 0.81 0.84 0.07 0.11 -2.27 0.00 0.00 179.45 179.01 2q8r h TRP 55 N 1.31 0.51 -0.20 1.91 5.08 -1.96 0.39 115.95 122.99 2q8r h TRP 55 Ca 0.36 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.28 2q8r h TRP 55 Cb -0.14 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 25.85 2q8r h TRP 55 CO -0.00 0.46 0.05 0.28 -1.28 0.00 0.00 178.44 177.95 2q8r h VAL 56 N 0.50 1.21 -0.78 0.12 2.07 -1.72 -1.91 116.25 115.75 2q8r h VAL 56 Ca 0.12 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2q8r h VAL 56 Cb 0.22 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2q8r h VAL 56 CO -0.00 0.21 0.48 1.56 0.02 0.00 0.00 177.57 179.84 2q8r h GLN 57 N 0.14 1.04 -0.58 1.57 4.20 -1.00 -1.89 115.11 118.59 2q8r h GLN 57 Ca 0.06 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2q8r h GLN 57 Cb 0.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2q8r h GLN 57 CO 0.00 0.72 0.03 -0.44 -0.67 0.00 0.00 178.83 178.48 2q8r h ASP 58 N 1.06 0.96 0.14 1.46 3.32 -0.75 -1.44 116.42 121.16 2q8r h ASP 58 Ca 0.28 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2q8r h ASP 58 Cb -0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.23 2q8r h ASP 58 CO -0.06 0.99 -0.07 1.88 -1.72 0.00 0.00 179.24 180.27 2q8r h TYR 59 N 0.92 -0.18 0.00 4.55 0.05 -1.07 -3.24 116.97 118.00 2q8r h TYR 59 Ca 0.17 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 2q8r h TYR 59 Cb 0.49 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2q8r h TYR 59 CO 0.03 0.12 -0.35 -0.84 -1.05 0.00 0.00 178.16 176.07 2q8r h ILE 60 N -0.48 1.22 -0.74 -2.88 3.07 -1.22 -2.88 117.51 113.60 2q8r h ILE 60 Ca -0.02 -1.23 0.13 0.00 1.55 0.00 0.00 64.86 65.29 2q8r h ILE 60 Cb 0.38 1.67 -0.09 0.00 -0.27 0.00 0.00 36.82 38.51 2q8r h ILE 60 CO 0.03 0.35 0.31 0.50 -1.05 0.00 0.00 178.15 178.29 2q8r h LYS 61 N 0.00 0.46 -0.63 0.16 3.64 -1.28 -2.17 116.57 116.75 2q8r h LYS 61 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2q8r h LYS 61 Cb 0.64 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2q8r h LYS 61 CO 0.05 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 177.28 2q8r n ASP 62 N -4.97 4.85 -0.83 4.20 8.00 -1.10 -5.13 116.55 121.58 2q8r n ASP 62 Ca 0.13 -2.51 0.10 0.00 0.71 0.00 0.00 54.79 53.23 2q8r n ASP 62 Cb 0.38 -0.59 0.09 0.00 -0.02 0.00 0.00 41.12 40.98 2q8r n ASP 62 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04