#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh8 n GLY 2 N 0.00 0.94 3.92 3.17 0.00 0.85 -4.36 105.19 109.71 1gh8 n GLY 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gh8 s ASP 3 N 0.00 6.42 -0.36 1.61 -4.77 0.60 -4.46 116.67 115.71 1gh8 s ASP 3 Ca 0.00 0.52 -0.15 0.00 -3.30 0.00 0.00 52.55 49.63 1gh8 s ASP 3 Cb 0.00 -2.06 -0.01 0.00 -1.09 0.00 0.00 42.92 39.76 1gh8 s ASP 3 CO 0.00 -0.08 0.32 -0.69 0.70 0.00 0.00 175.17 175.42 1gh8 s VAL 4 N -1.92 5.21 -0.31 2.11 1.01 0.88 -1.73 120.40 125.65 1gh8 s VAL 4 Ca 0.40 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1gh8 s VAL 4 Cb -0.11 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 1gh8 s VAL 4 CO 0.29 -0.13 0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1gh8 s VAL 5 N 1.88 4.53 0.49 2.92 1.01 0.13 -1.04 120.40 130.33 1gh8 s VAL 5 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1gh8 s VAL 5 Cb -0.17 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1gh8 s VAL 5 CO 0.11 0.05 0.71 0.00 0.00 0.00 0.00 175.10 175.97 1gh8 s ALA 6 N 1.60 3.79 -0.04 5.51 0.00 -0.80 0.92 121.76 132.74 1gh8 s ALA 6 Ca 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 1gh8 s ALA 6 Cb -0.17 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1gh8 s ALA 6 CO 0.06 -0.51 0.08 0.99 0.00 0.00 0.00 175.76 176.39 1gh8 s THR 7 N -2.63 -0.02 -0.28 0.00 2.01 -0.42 -0.70 115.64 113.60 1gh8 s THR 7 Ca 0.51 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1gh8 s THR 7 Cb -0.10 -0.14 0.08 0.00 0.01 0.00 0.00 72.50 72.35 1gh8 s THR 7 CO 0.38 0.03 0.00 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 0.42 1.58 -0.65 1.82 -1.09 -0.42 -3.07 121.20 119.79 1gh8 s ILE 8 Ca -0.03 -1.53 -0.17 0.00 -2.23 0.00 0.00 60.65 56.69 1gh8 s ILE 8 Cb -0.05 -1.99 0.14 0.00 -1.58 0.00 0.00 42.46 38.99 1gh8 s ILE 8 CO -0.02 -0.34 0.68 -0.54 -1.23 0.00 0.00 174.94 173.50 1gh8 s LYS 9 N 1.32 3.20 -0.06 2.79 -0.14 -1.21 -0.20 119.74 125.43 1gh8 s LYS 9 Ca 0.01 -1.75 -0.15 0.00 -1.36 0.00 0.00 55.97 52.72 1gh8 s LYS 9 Cb -0.19 -4.37 -0.05 0.00 -1.68 0.00 0.00 37.83 31.55 1gh8 s LYS 9 CO -0.11 -1.43 0.38 0.14 -0.76 0.00 0.00 175.35 173.58 1gh8 s VAL 10 N 1.73 5.14 -0.12 3.17 -7.23 -0.76 0.29 120.40 122.62 1gh8 s VAL 10 Ca 0.12 0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 61.00 1gh8 s VAL 10 Cb -0.22 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.09 1gh8 s VAL 10 CO 0.00 0.50 0.26 -0.32 -0.31 0.00 0.00 175.10 175.23 1gh8 s MET 11 N -0.45 0.17 -0.10 4.82 0.00 -1.14 -1.06 119.30 121.55 1gh8 s MET 11 Ca 0.22 0.69 -0.30 0.00 0.00 0.00 0.00 55.69 56.30 1gh8 s MET 11 Cb -0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 34.83 34.59 1gh8 s MET 11 CO 0.10 -0.25 1.30 -2.14 0.00 0.00 0.00 175.02 174.04 1gh8 s PRO 12 N 2.06 4.27 0.47 4.11 0.02 -1.26 -2.19 135.00 142.48 1gh8 s PRO 12 Ca -0.02 1.76 0.16 0.00 0.02 0.00 0.00 61.00 62.91 1gh8 s PRO 12 Cb -0.11 -3.70 1.14 0.00 0.02 0.00 0.00 34.50 31.85 1gh8 s PRO 12 CO -0.09 -0.63 2.04 0.93 -0.33 0.00 0.00 177.00 178.92 1gh8 h GLU 13 N 8.06 0.24 -7.13 5.54 4.39 -1.28 -3.43 114.58 120.97 1gh8 h GLU 13 Ca -0.31 -0.01 -0.47 0.00 0.34 0.00 0.00 59.36 58.90 1gh8 h GLU 13 Cb 1.14 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1gh8 h GLU 13 CO 0.93 0.16 0.37 -1.12 -1.16 0.00 0.00 179.01 178.19 1gh8 s SER 14 N -6.51 6.43 0.00 1.42 0.01 -1.26 -4.92 113.70 108.86 1gh8 s SER 14 Ca -0.07 1.75 0.12 0.00 1.31 0.00 0.00 55.95 59.06 1gh8 s SER 14 Cb 0.19 -2.53 0.64 0.00 0.21 0.00 0.00 66.02 64.52 1gh8 s SER 14 CO 0.72 -0.72 1.22 -0.81 0.41 0.00 0.00 173.24 174.06 1gh8 n PRO 15 N -1.31 0.26 -1.21 12.44 -0.04 -1.26 -3.17 135.00 140.71 1gh8 n PRO 15 Ca 0.08 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 1gh8 n PRO 15 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1gh8 n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gh8 n ASP 16 N -1.16 6.69 -4.13 3.54 9.92 -1.26 -4.88 116.55 125.27 1gh8 n ASP 16 Ca 0.07 -3.25 -0.32 0.00 -0.53 0.00 0.00 54.79 50.77 1gh8 n ASP 16 Cb 0.07 -1.11 -0.09 0.00 -0.64 0.00 0.00 41.12 39.35 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1gh8 n VAL 17 N 0.33 0.99 -2.08 2.53 0.31 -1.19 -4.85 118.33 114.37 1gh8 n VAL 17 Ca 0.42 -0.96 -0.28 0.00 -0.01 0.00 0.00 64.34 63.52 1gh8 n VAL 17 Cb 0.56 -2.12 -0.05 0.00 -0.91 0.00 0.00 33.84 31.32 1gh8 n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1gh8 s ASP 18 N 6.79 5.21 0.24 4.52 1.11 -1.26 -4.79 116.67 128.49 1gh8 s ASP 18 Ca 0.70 -0.83 -0.05 0.00 0.18 0.00 0.00 52.55 52.55 1gh8 s ASP 18 Cb 0.05 -2.56 0.26 0.00 1.07 0.00 0.00 42.92 41.74 1gh8 s ASP 18 CO 0.19 -2.71 1.77 0.17 1.18 0.00 0.00 175.17 175.78 1gh8 h LEU 19 N 17.57 0.92 -0.56 1.23 -0.00 -1.90 0.29 115.31 132.87 1gh8 h LEU 19 Ca 0.12 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.88 57.66 1gh8 h LEU 19 Cb 1.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1gh8 h LEU 19 CO 1.22 0.90 -0.50 -0.08 -0.00 0.00 0.00 178.44 179.98 1gh8 h GLU 20 N 0.94 0.57 -0.30 0.17 4.81 -1.99 0.42 114.58 119.20 1gh8 h GLU 20 Ca 0.20 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 1gh8 h GLU 20 Cb 0.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1gh8 h GLU 20 CO 0.00 0.94 -0.40 0.00 -0.73 0.00 0.00 179.01 178.82 1gh8 h ALA 21 N 1.00 0.74 -0.01 2.92 0.00 -1.90 -2.53 119.26 119.48 1gh8 h ALA 21 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1gh8 h ALA 21 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1gh8 h ALA 21 CO 0.10 0.66 -0.32 1.25 0.00 0.00 0.00 179.25 180.94 1gh8 h LEU 22 N 0.59 0.02 -0.54 0.00 5.85 0.06 -2.87 115.31 118.42 1gh8 h LEU 22 Ca 0.05 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1gh8 h LEU 22 Cb 0.94 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1gh8 h LEU 22 CO 0.09 0.34 0.18 0.11 -0.34 0.00 0.00 178.44 178.82 1gh8 h LYS 23 N 0.02 0.35 -0.30 1.25 6.56 0.28 0.71 116.57 125.43 1gh8 h LYS 23 Ca 0.00 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1gh8 h LYS 23 Cb 0.57 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 1gh8 h LYS 23 CO 0.04 0.23 -0.06 0.87 -2.06 0.00 0.00 179.45 178.48 1gh8 h LYS 24 N 0.36 0.58 0.00 3.15 1.57 -1.50 -2.78 116.57 117.94 1gh8 h LYS 24 Ca 0.26 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1gh8 h LYS 24 Cb 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1gh8 h LYS 24 CO -0.28 0.75 -0.15 0.93 -0.57 0.00 0.00 179.45 180.13 1gh8 h GLU 25 N 0.35 0.00 -0.03 3.15 5.08 -1.19 -2.92 114.58 119.01 1gh8 h GLU 25 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 25 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gh8 h GLU 25 CO 0.03 0.15 0.02 0.82 -1.00 0.00 0.00 179.01 179.03 1gh8 h ILE 26 N 0.00 1.03 -0.20 3.13 2.04 0.70 -1.18 117.51 123.02 1gh8 h ILE 26 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1gh8 h ILE 26 Cb 0.38 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1gh8 h ILE 26 CO 0.02 0.02 -0.03 1.56 0.00 0.00 0.00 178.15 179.73 1gh8 h GLN 27 N 0.02 0.30 0.00 2.37 1.08 -1.49 -1.06 115.11 116.33 1gh8 h GLN 27 Ca 0.01 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1gh8 h GLN 27 Cb 0.02 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1gh8 h GLN 27 CO -0.00 0.35 -0.30 0.93 -0.95 0.00 0.00 178.83 178.86 1gh8 h GLU 28 N 0.29 0.00 0.00 1.46 5.08 -1.44 -3.05 114.58 116.92 1gh8 h GLU 28 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1gh8 h GLU 28 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1gh8 h GLU 28 CO 0.01 0.30 -0.81 2.89 -1.00 0.00 0.00 179.01 180.40 1gh8 n ARG 29 N -3.33 0.22 -1.77 2.33 1.85 -0.48 -4.93 116.66 110.54 1gh8 n ARG 29 Ca 0.01 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.47 1gh8 n ARG 29 Cb 0.53 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 1gh8 n ARG 29 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1gh8 n ILE 30 N -1.89 2.05 -1.52 8.89 2.08 -0.49 -4.71 119.36 123.78 1gh8 n ILE 30 Ca 0.03 -0.50 -0.51 0.00 0.56 0.00 0.00 62.75 62.33 1gh8 n ILE 30 Cb 0.41 -1.94 -0.07 0.00 -0.75 0.00 0.00 39.64 37.29 1gh8 n ILE 30 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1gh8 n PRO 31 N 0.41 1.27 0.00 0.38 -0.04 -1.26 -4.74 135.00 131.01 1gh8 n PRO 31 Ca 0.02 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1gh8 n PRO 31 Cb 0.39 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1gh8 n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gh8 n GLU 32 N 7.64 0.00 0.08 0.54 1.02 -1.26 -2.03 120.64 126.62 1gh8 n GLU 32 Ca 0.36 0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 57.37 1gh8 n GLU 32 Cb 0.23 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1gh8 h GLY 33 N 0.00 0.32 0.00 0.62 0.00 -1.79 -3.47 103.07 98.75 1gh8 h GLY 33 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1gh8 h GLY 33 CO 0.00 0.71 0.00 2.41 0.00 0.00 0.00 176.54 179.66 1gh8 n THR 34 N -3.49 0.00 -4.27 4.70 -1.04 -0.86 -4.73 114.28 104.59 1gh8 n THR 34 Ca -0.15 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 1gh8 n THR 34 Cb 1.04 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.45 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1gh8 s GLU 35 N 4.11 1.23 1.10 -2.82 2.02 -1.26 -4.89 118.70 118.20 1gh8 s GLU 35 Ca 0.00 -1.63 -0.19 0.00 0.02 0.00 0.00 54.97 53.17 1gh8 s GLU 35 Cb 0.00 -0.22 0.26 0.00 0.10 0.00 0.00 34.13 34.28 1gh8 s GLU 35 CO 0.00 -0.22 1.23 1.47 0.02 0.00 0.00 175.26 177.77 1gh8 n LEU 36 N -0.33 0.00 0.00 1.80 -0.00 -1.26 -1.87 117.00 115.34 1gh8 n LEU 36 Ca -0.03 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.64 1gh8 n LEU 36 Cb 0.65 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1gh8 n LEU 36 CO 0.35 -1.79 0.00 1.57 -0.00 0.00 0.00 177.39 177.52 1gh8 n HIS 37 N -4.33 0.00 -3.64 1.47 -0.00 0.19 -3.17 115.22 105.74 1gh8 n HIS 37 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.83 1gh8 n HIS 37 Cb 0.59 0.11 -0.07 0.00 -0.00 0.00 0.00 29.99 30.62 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1gh8 s LYS 38 N -0.42 0.53 0.33 1.57 2.47 -1.24 -4.96 119.74 118.02 1gh8 s LYS 38 Ca 0.00 0.87 -0.05 0.00 -1.56 0.00 0.00 55.97 55.23 1gh8 s LYS 38 Cb 0.00 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.46 1gh8 s LYS 38 CO 0.00 -0.10 0.60 0.42 0.16 0.00 0.00 175.35 176.43 1gh8 s ILE 39 N 1.25 5.00 -0.12 5.43 1.01 -1.26 -2.18 121.20 130.33 1gh8 s ILE 39 Ca -0.07 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1gh8 s ILE 39 Cb -0.04 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1gh8 s ILE 39 CO -0.15 -0.43 -0.22 -1.81 0.00 0.00 0.00 174.94 172.34 1gh8 s ASP 40 N -3.37 3.05 -1.31 3.58 1.01 -0.18 -4.85 116.67 114.59 1gh8 s ASP 40 Ca 0.44 -0.58 -0.11 0.00 0.71 0.00 0.00 52.55 53.02 1gh8 s ASP 40 Cb -0.10 -1.41 0.14 0.00 1.01 0.00 0.00 42.92 42.56 1gh8 s ASP 40 CO 0.32 0.10 1.90 -0.62 0.21 0.00 0.00 175.17 177.08 1gh8 n GLU 41 N 3.90 3.44 -3.78 8.23 1.02 -1.26 -0.85 120.64 131.33 1gh8 n GLU 41 Ca -0.20 -3.38 -0.36 0.00 -0.02 0.00 0.00 57.16 53.21 1gh8 n GLU 41 Cb 0.52 -3.02 -0.07 0.00 -0.02 0.00 0.00 31.44 28.85 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1gh8 s GLU 42 N 1.14 3.88 0.44 3.49 2.02 -0.42 -4.94 118.70 124.32 1gh8 s GLU 42 Ca 0.42 -0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.17 1gh8 s GLU 42 Cb 0.09 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 1gh8 s GLU 42 CO -0.01 0.50 0.77 -1.25 0.02 0.00 0.00 175.26 175.29 1gh8 s PRO 43 N -0.23 3.64 0.00 0.39 0.04 -1.26 0.12 135.00 137.70 1gh8 s PRO 43 Ca 0.11 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1gh8 s PRO 43 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.01 -0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.04 1gh8 n ILE 44 N -1.82 0.00 0.00 0.56 2.08 0.07 -4.73 119.36 115.52 1gh8 n ILE 44 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1gh8 n ILE 44 Cb 0.55 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 1gh8 n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gh8 n ALA 45 N -1.53 0.00 0.17 -1.39 0.00 -1.11 -4.88 120.51 111.77 1gh8 n ALA 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1gh8 n ALA 45 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1gh8 n ALA 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1gh8 h PHE 46 N -0.22 0.00 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.31 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1gh8 h PHE 46 CO 0.00 0.48 0.00 0.41 -1.61 0.00 0.00 178.31 177.59 1gh8 n GLY 47 N 0.16 0.22 3.43 -1.45 0.00 -1.26 -5.06 105.19 101.24 1gh8 n GLY 47 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1gh8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gh8 s LEU 48 N 0.00 4.90 -0.12 0.99 1.43 -1.26 -4.94 118.68 119.68 1gh8 s LEU 48 Ca 0.00 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 1gh8 s LEU 48 Cb 0.00 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1gh8 s LEU 48 CO 0.00 -1.11 0.43 -0.69 0.23 0.00 0.00 176.35 175.21 1gh8 s VAL 49 N 3.07 5.21 0.19 -1.59 1.01 -1.26 -0.75 120.40 126.28 1gh8 s VAL 49 Ca 0.17 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1gh8 s VAL 49 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.10 0.35 0.40 0.00 0.00 0.00 0.00 175.10 175.95 1gh8 s ALA 50 N 0.51 3.81 -0.25 5.51 0.00 0.33 -4.77 121.76 126.90 1gh8 s ALA 50 Ca 0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1gh8 s ALA 50 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1gh8 s ALA 50 CO 0.09 0.49 -0.01 -0.51 0.00 0.00 0.00 175.76 175.82 1gh8 s LEU 51 N -3.16 3.28 -0.86 0.00 1.02 -0.22 -1.30 118.68 117.44 1gh8 s LEU 51 Ca 0.39 -0.61 -0.19 0.00 0.02 0.00 0.00 54.13 53.74 1gh8 s LEU 51 Cb -0.11 -1.77 0.12 0.00 0.02 0.00 0.00 46.19 44.45 1gh8 s LEU 51 CO 0.28 -0.10 1.06 0.20 0.02 0.00 0.00 176.35 177.81 1gh8 s ASN 52 N 1.45 6.52 -0.55 2.29 0.02 -0.03 -1.83 114.94 122.80 1gh8 s ASN 52 Ca 0.03 -1.82 -0.24 0.00 -1.02 0.00 0.00 52.86 49.81 1gh8 s ASN 52 Cb -0.16 -2.39 0.04 0.00 0.02 0.00 0.00 41.25 38.76 1gh8 s ASN 52 CO -0.02 -1.13 0.92 -0.69 0.02 0.00 0.00 177.10 176.21 1gh8 s VAL 53 N 2.89 4.42 0.66 1.60 1.01 0.72 -1.01 120.40 130.69 1gh8 s VAL 53 Ca 0.29 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1gh8 s VAL 53 Cb -0.08 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.80 1gh8 s VAL 53 CO -0.05 -1.09 0.98 -0.04 0.00 0.00 0.00 175.10 174.90 1gh8 s MET 54 N 3.86 2.64 -0.00 2.72 -1.94 -0.93 -1.30 119.30 124.35 1gh8 s MET 54 Ca 0.29 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1gh8 s MET 54 Cb -0.13 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.53 1gh8 s MET 54 CO 0.19 -0.96 -0.01 0.14 -0.01 0.00 0.00 175.02 174.36 1gh8 s VAL 55 N -3.16 0.10 -0.49 -6.03 -7.23 0.12 0.55 120.40 104.26 1gh8 s VAL 55 Ca 0.57 -0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.50 1gh8 s VAL 55 Cb -0.11 -0.10 0.05 0.00 0.56 0.00 0.00 36.38 36.78 1gh8 s VAL 55 CO 0.46 0.04 0.63 -0.69 -0.31 0.00 0.00 175.10 175.23 1gh8 s VAL 56 N 0.04 4.86 0.14 1.32 1.01 -0.78 -1.91 120.40 125.08 1gh8 s VAL 56 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1gh8 s VAL 56 Cb -0.01 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1gh8 s VAL 56 CO -0.00 -0.76 -0.15 0.68 0.00 0.00 0.00 175.10 174.87 1gh8 s VAL 57 N 2.70 1.52 0.00 2.92 -7.23 -0.20 -4.16 120.40 115.95 1gh8 s VAL 57 Ca 0.17 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1gh8 s VAL 57 Cb -0.18 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1gh8 s VAL 57 CO 0.14 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1gh8 n GLY 58 N 0.33 -2.24 0.08 2.32 0.00 -1.26 -0.09 105.19 104.34 1gh8 n GLY 58 Ca -0.14 0.74 0.14 0.00 0.00 0.00 0.00 46.02 46.76 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gh8 n ASP 59 N -1.25 0.26 -2.51 1.61 9.92 -1.26 -4.79 116.55 118.52 1gh8 n ASP 59 Ca 0.00 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 1gh8 n ASP 59 Cb 0.00 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh8 n ALA 60 N -0.76 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.62 1gh8 n ALA 60 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1gh8 n ALA 60 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1gh8 n ALA 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gh8 n GLU 61 N 0.00 0.00 -0.04 0.00 0.28 -1.26 -5.00 120.64 114.62 1gh8 n GLU 61 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1gh8 n GLU 61 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1gh8 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gh8 n GLY 62 N 0.00 0.02 0.00 -1.84 0.00 -1.26 -3.83 105.19 98.27 1gh8 n GLY 62 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1gh8 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh8 n GLY 63 N 0.40 -0.71 0.00 -0.02 0.00 -1.26 -2.24 105.19 101.36 1gh8 n GLY 63 Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1gh8 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gh8 n THR 64 N -1.21 0.19 0.23 2.61 -2.24 -1.25 -2.55 114.28 110.06 1gh8 n THR 64 Ca 0.08 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 1gh8 n THR 64 Cb 0.10 -0.67 0.85 0.00 -2.10 0.00 0.00 70.33 68.52 1gh8 n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1gh8 h GLU 65 N 0.00 0.00 -0.37 -0.78 -0.00 -1.79 -0.32 114.58 111.31 1gh8 h GLU 65 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.47 1gh8 h GLU 65 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 1gh8 h GLU 65 CO 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 179.01 179.29 1gh8 h ALA 66 N 1.62 2.33 0.58 1.06 0.00 -1.83 -1.53 119.26 121.49 1gh8 h ALA 66 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gh8 h ALA 66 Cb 0.61 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1gh8 h ALA 66 CO -0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 179.25 178.50 1gh8 h ALA 67 N 1.80 -0.78 -0.48 0.00 0.00 -1.33 0.88 119.26 119.35 1gh8 h ALA 67 Ca 0.18 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1gh8 h ALA 67 Cb 0.73 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1gh8 h ALA 67 CO -0.00 -0.90 0.32 0.93 0.00 0.00 0.00 179.25 179.60 1gh8 h GLU 68 N -0.87 0.48 0.16 0.00 5.08 -1.52 -0.07 114.58 117.84 1gh8 h GLU 68 Ca -0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1gh8 h GLU 68 Cb 0.63 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gh8 h GLU 68 CO 0.13 0.32 -0.08 1.49 -1.00 0.00 0.00 179.01 179.87 1gh8 h GLU 69 N 0.50 -0.21 0.00 2.33 4.57 -0.88 -1.97 114.58 118.92 1gh8 h GLU 69 Ca 0.20 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1gh8 h GLU 69 Cb 0.17 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1gh8 h GLU 69 CO -0.05 -0.02 0.00 1.03 -1.18 0.00 0.00 179.01 178.79 1gh8 h SER 70 N -0.36 0.00 0.32 1.04 0.87 -0.08 -1.28 113.55 114.06 1gh8 h SER 70 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 1gh8 h SER 70 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1gh8 h SER 70 CO 0.04 0.00 -0.63 -0.07 -0.53 0.00 0.00 176.83 175.64 1gh8 h LEU 71 N 0.00 0.34 0.00 2.23 3.38 -0.27 0.55 115.31 121.55 1gh8 h LEU 71 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1gh8 h LEU 71 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1gh8 h LEU 71 CO 0.00 0.88 0.00 -0.24 0.09 0.00 0.00 178.44 179.17 1gh8 n SER 72 N -3.87 0.00 -0.99 -0.43 2.88 -0.48 -2.46 113.62 108.28 1gh8 n SER 72 Ca -0.03 0.48 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 1gh8 n SER 72 Cb 0.64 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gh8 n GLY 73 N -0.93 0.74 0.00 0.46 0.00 -1.03 -5.13 105.19 99.31 1gh8 n GLY 73 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1gh8 n GLY 73 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1gh8 n ILE 74 N 0.15 0.00 -1.52 -0.61 3.06 0.19 -4.80 119.36 115.83 1gh8 n ILE 74 Ca -0.09 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.76 1gh8 n ILE 74 Cb 0.80 -1.33 -0.08 0.00 0.54 0.00 0.00 39.64 39.57 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1gh8 n GLU 75 N -0.82 0.69 0.02 9.51 -0.58 -1.26 -4.79 120.64 123.41 1gh8 n GLU 75 Ca 0.00 0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 1gh8 n GLU 75 Cb 0.00 -2.62 0.35 0.00 -0.57 0.00 0.00 31.44 28.60 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1gh8 h GLY 76 N 15.83 0.52 0.91 0.62 0.00 -1.97 -2.97 103.07 116.01 1gh8 h GLY 76 Ca -0.18 -0.27 -0.35 0.00 0.00 0.00 0.00 47.33 46.53 1gh8 h GLY 76 CO 1.22 0.25 -1.77 -2.08 0.00 0.00 0.00 176.54 174.16 1gh8 h VAL 77 N 0.48 0.91 -3.25 4.60 2.07 -1.95 -3.41 116.25 115.69 1gh8 h VAL 77 Ca 0.11 -2.52 -0.75 0.00 0.82 0.00 0.00 66.70 64.37 1gh8 h VAL 77 Cb 0.21 2.73 -0.23 0.00 -1.52 0.00 0.00 31.29 32.48 1gh8 h VAL 77 CO -0.00 0.86 0.33 -0.55 0.02 0.00 0.00 177.57 178.23 1gh8 s SER 78 N -7.22 6.65 0.12 0.57 0.15 -1.12 -0.68 113.70 112.16 1gh8 s SER 78 Ca -0.16 -2.34 -0.30 0.00 0.70 0.00 0.00 55.95 53.85 1gh8 s SER 78 Cb 0.06 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.84 -0.79 1.04 0.21 1.20 0.00 0.00 173.24 175.74 1gh8 s ASN 79 N 2.82 7.36 0.04 5.45 3.04 -0.93 -4.35 114.94 128.36 1gh8 s ASN 79 Ca 0.22 1.91 -0.00 0.00 0.04 0.00 0.00 52.86 55.02 1gh8 s ASN 79 Cb -0.10 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 1gh8 s ASN 79 CO -0.07 -0.19 0.17 -0.63 -3.04 0.00 0.00 177.10 173.34 1gh8 s ILE 80 N 0.14 5.19 -1.35 -5.21 1.09 -1.26 -2.87 121.20 116.93 1gh8 s ILE 80 Ca 0.50 -0.38 -0.11 0.00 -1.10 0.00 0.00 60.65 59.55 1gh8 s ILE 80 Cb -0.26 -3.48 0.12 0.00 -1.06 0.00 0.00 42.46 37.78 1gh8 s ILE 80 CO 0.31 0.22 2.05 1.21 -0.10 0.00 0.00 174.94 178.63 1gh8 n GLU 81 N 0.61 3.41 -1.10 2.79 4.07 0.14 -4.81 120.64 125.75 1gh8 n GLU 81 Ca -0.08 -3.17 -0.17 0.00 -0.06 0.00 0.00 57.16 53.67 1gh8 n GLU 81 Cb 0.52 -3.03 -0.14 0.00 -0.06 0.00 0.00 31.44 28.73 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1gh8 n VAL 82 N 3.85 3.23 -0.64 6.31 0.31 -1.26 -3.35 118.33 126.79 1gh8 n VAL 82 Ca 0.46 -1.82 0.00 0.00 -0.01 0.00 0.00 64.34 62.97 1gh8 n VAL 82 Cb 0.36 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1gh8 n VAL 82 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1gh8 n THR 83 N 2.48 0.24 -3.04 2.52 -1.04 -1.26 -5.06 114.28 109.12 1gh8 n THR 83 Ca 0.48 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.05 61.80 1gh8 n THR 83 Cb 0.79 1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 70.34 1gh8 n THR 83 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1gh8 s ASP 84 N -0.24 7.27 0.01 8.00 1.11 -1.17 -5.02 116.67 126.63 1gh8 s ASP 84 Ca 0.00 1.51 -0.13 0.00 0.18 0.00 0.00 52.55 54.11 1gh8 s ASP 84 Cb 0.00 -2.46 0.02 0.00 1.07 0.00 0.00 42.92 41.54 1gh8 s ASP 84 CO 0.00 0.16 0.26 0.54 1.18 0.00 0.00 175.17 177.31 1gh8 s VAL 85 N -0.78 0.07 -0.46 -1.27 0.11 -1.26 -1.30 120.40 115.51 1gh8 s VAL 85 Ca 0.35 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1gh8 s VAL 85 Cb -0.22 -0.69 0.19 0.00 -1.53 0.00 0.00 36.38 34.13 1gh8 s VAL 85 CO 0.24 -0.34 0.56 0.54 -3.33 0.00 0.00 175.10 172.77 1gh8 n ARG 86 N 1.08 0.42 -2.53 1.54 1.74 0.26 -4.92 116.66 114.25 1gh8 n ARG 86 Ca -0.21 -2.61 -0.42 0.00 -0.77 0.00 0.00 57.85 53.84 1gh8 n ARG 86 Cb 0.57 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1gh8 n ARG 86 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1gh8 n ARG 87 N 2.64 3.13 -2.60 5.56 -4.01 -1.26 0.21 116.66 120.33 1gh8 n ARG 87 Ca 0.23 -3.23 -0.41 0.00 -1.04 0.00 0.00 57.85 53.40 1gh8 n ARG 87 Cb 0.53 -3.50 -0.03 0.00 -3.04 0.00 0.00 32.46 26.42 1gh8 n ARG 87 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1gh8 s LEU 88 N 4.40 3.54 0.00 2.89 1.43 -0.71 -4.91 118.68 125.32 1gh8 s LEU 88 Ca 0.54 -1.14 0.26 0.00 -1.03 0.00 0.00 54.13 52.77 1gh8 s LEU 88 Cb 0.04 -2.55 0.63 0.00 0.03 0.00 0.00 46.19 44.35 1gh8 s LEU 88 CO 0.08 -1.59 1.51 0.23 0.23 0.00 0.00 176.35 176.81