#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 0.00 3.89 -5.12 0.00 0.47 -4.67 105.19 99.76 1gh8 n GLY 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gh8 s ASP 3 N 0.00 6.48 -0.23 1.61 1.01 0.02 -4.74 116.67 120.81 1gh8 s ASP 3 Ca 0.00 0.93 -0.07 0.00 0.71 0.00 0.00 52.55 54.12 1gh8 s ASP 3 Cb 0.00 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1gh8 s ASP 3 CO 0.00 -0.31 0.06 -0.69 0.21 0.00 0.00 175.17 174.43 1gh8 s VAL 4 N -2.25 4.28 -0.30 -1.27 1.01 0.35 -1.25 120.40 120.97 1gh8 s VAL 4 Ca 0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1gh8 s VAL 4 Cb -0.10 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1gh8 s VAL 4 CO 0.31 0.37 0.05 -0.69 0.00 0.00 0.00 175.10 175.14 1gh8 s VAL 5 N 1.40 3.58 0.02 2.92 1.01 0.30 -0.78 120.40 128.85 1gh8 s VAL 5 Ca 0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1gh8 s VAL 5 Cb -0.15 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1gh8 s VAL 5 CO 0.03 0.00 0.37 0.00 0.00 0.00 0.00 175.10 175.50 1gh8 s ALA 6 N 1.41 3.74 -0.10 5.51 0.00 -0.92 0.59 121.76 132.00 1gh8 s ALA 6 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1gh8 s ALA 6 Cb -0.18 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1gh8 s ALA 6 CO 0.01 0.54 -0.20 0.99 0.00 0.00 0.00 175.76 177.10 1gh8 s THR 7 N -1.22 1.79 -0.27 0.00 2.01 -0.57 -0.13 115.64 117.24 1gh8 s THR 7 Ca 0.27 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1gh8 s THR 7 Cb -0.15 -1.57 0.07 0.00 0.01 0.00 0.00 72.50 70.86 1gh8 s THR 7 CO 0.15 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.87 1gh8 s ILE 8 N 0.51 2.14 -0.77 1.82 -1.09 -0.65 -3.05 121.20 120.10 1gh8 s ILE 8 Ca -0.16 -1.73 -0.17 0.00 -2.23 0.00 0.00 60.65 56.36 1gh8 s ILE 8 Cb -0.17 -2.31 0.15 0.00 -1.58 0.00 0.00 42.46 38.55 1gh8 s ILE 8 CO 0.06 -0.13 0.84 -0.54 -1.23 0.00 0.00 174.94 173.94 1gh8 s LYS 9 N 1.09 3.39 -0.04 2.79 -0.14 -1.21 -0.25 119.74 125.37 1gh8 s LYS 9 Ca -0.05 -1.86 -0.16 0.00 -1.36 0.00 0.00 55.97 52.53 1gh8 s LYS 9 Cb -0.20 -4.51 -0.05 0.00 -1.68 0.00 0.00 37.83 31.39 1gh8 s LYS 9 CO -0.06 -1.51 0.44 0.14 -0.76 0.00 0.00 175.35 173.60 1gh8 s VAL 10 N 1.77 5.06 -0.09 3.17 -7.23 -0.54 0.15 120.40 122.69 1gh8 s VAL 10 Ca 0.19 0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 61.23 1gh8 s VAL 10 Cb -0.14 -3.77 0.05 0.00 0.56 0.00 0.00 36.38 33.08 1gh8 s VAL 10 CO -0.04 0.48 0.18 0.00 -0.31 0.00 0.00 175.10 175.42 1gh8 s MET 11 N -0.41 0.09 -0.00 4.82 0.23 -1.15 -0.49 119.30 122.39 1gh8 s MET 11 Ca 0.25 0.52 -0.30 0.00 -1.03 0.00 0.00 55.69 55.13 1gh8 s MET 11 Cb -0.16 -0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.90 1gh8 s MET 11 CO 0.12 -0.24 1.39 -2.14 -2.03 0.00 0.00 175.02 172.13 1gh8 s PRO 12 N 1.80 4.28 0.42 3.16 0.02 -1.26 -2.09 135.00 141.33 1gh8 s PRO 12 Ca -0.03 1.95 0.11 0.00 0.02 0.00 0.00 61.00 63.05 1gh8 s PRO 12 Cb -0.12 -3.58 0.95 0.00 0.02 0.00 0.00 34.50 31.78 1gh8 s PRO 12 CO -0.07 -0.57 2.02 0.93 -0.33 0.00 0.00 177.00 178.98 1gh8 h GLU 13 N 7.83 0.46 -7.16 5.54 4.39 -1.13 -3.43 114.58 121.08 1gh8 h GLU 13 Ca -0.38 -0.03 -0.47 0.00 0.34 0.00 0.00 59.36 58.82 1gh8 h GLU 13 Cb 1.18 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1gh8 h GLU 13 CO 0.90 0.31 0.37 -1.12 -1.16 0.00 0.00 179.01 178.31 1gh8 s SER 14 N -6.45 6.43 0.00 1.42 0.01 -1.26 -4.92 113.70 108.92 1gh8 s SER 14 Ca -0.08 1.69 0.12 0.00 1.31 0.00 0.00 55.95 58.99 1gh8 s SER 14 Cb 0.19 -2.52 0.64 0.00 0.21 0.00 0.00 66.02 64.53 1gh8 s SER 14 CO 0.74 -0.72 1.22 -0.81 0.41 0.00 0.00 173.24 174.08 1gh8 n PRO 15 N -1.49 0.25 -1.14 12.44 -0.04 -1.26 -3.08 135.00 140.67 1gh8 n PRO 15 Ca 0.07 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1gh8 n PRO 15 Cb 0.54 -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 -1.17 6.58 -4.12 3.54 8.00 -1.26 -4.87 116.55 123.24 1gh8 n ASP 16 Ca 0.07 -3.18 -0.32 0.00 0.71 0.00 0.00 54.79 52.07 1gh8 n ASP 16 Cb 0.07 -1.11 -0.09 0.00 -0.02 0.00 0.00 41.12 39.97 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gh8 n VAL 17 N 0.43 1.03 -2.14 2.53 0.31 -1.18 -4.85 118.33 114.47 1gh8 n VAL 17 Ca 0.39 -1.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.43 1gh8 n VAL 17 Cb 0.57 -2.13 -0.05 0.00 -0.91 0.00 0.00 33.84 31.33 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 6.74 5.36 0.23 4.52 1.11 -1.26 -4.78 116.67 128.58 1gh8 s ASP 18 Ca 0.69 -1.00 -0.06 0.00 0.18 0.00 0.00 52.55 52.36 1gh8 s ASP 18 Cb 0.05 -2.57 0.21 0.00 1.07 0.00 0.00 42.92 41.69 1gh8 s ASP 18 CO 0.19 -2.58 1.77 0.17 1.18 0.00 0.00 175.17 175.90 1gh8 h LEU 19 N 16.99 1.01 -0.55 1.23 8.10 -1.88 0.36 115.31 140.57 1gh8 h LEU 19 Ca 0.14 -0.18 -0.13 0.00 0.11 0.00 0.00 57.88 57.82 1gh8 h LEU 19 Cb 0.99 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.93 1gh8 h LEU 19 CO 1.25 0.94 -0.23 -0.08 -4.11 0.00 0.00 178.44 176.21 1gh8 h GLU 20 N 1.04 0.92 -0.15 0.17 4.57 -1.99 0.26 114.58 119.41 1gh8 h GLU 20 Ca 0.23 -0.39 -0.17 0.00 -1.18 0.00 0.00 59.36 57.84 1gh8 h GLU 20 Cb 0.29 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1gh8 h GLU 20 CO -0.01 1.05 -0.62 0.00 -1.18 0.00 0.00 179.01 178.25 1gh8 h ALA 21 N 0.93 0.64 0.00 2.92 0.00 -1.90 -2.81 119.26 119.05 1gh8 h ALA 21 Ca 0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1gh8 h ALA 21 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1gh8 h ALA 21 CO 0.07 0.71 -0.30 1.25 0.00 0.00 0.00 179.25 180.97 1gh8 h LEU 22 N 0.39 0.00 -0.67 0.00 6.46 0.12 -2.79 115.31 118.81 1gh8 h LEU 22 Ca -0.01 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1gh8 h LEU 22 Cb 1.18 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.06 1gh8 h LEU 22 CO 0.11 0.30 0.40 0.11 -0.62 0.00 0.00 178.44 178.75 1gh8 h LYS 23 N 0.00 0.74 -0.40 1.25 1.57 -0.21 0.46 116.57 119.97 1gh8 h LYS 23 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1gh8 h LYS 23 Cb 0.60 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1gh8 h LYS 23 CO 0.04 0.49 -0.02 0.87 -0.57 0.00 0.00 179.45 180.25 1gh8 h LYS 24 N 0.76 0.72 0.00 3.15 1.57 -1.51 -2.70 116.57 118.56 1gh8 h LYS 24 Ca 0.29 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1gh8 h LYS 24 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1gh8 h LYS 24 CO -0.14 0.82 -0.25 0.93 -0.57 0.00 0.00 179.45 180.23 1gh8 h GLU 25 N 0.54 0.00 -0.47 3.15 5.08 -1.22 -2.85 114.58 118.81 1gh8 h GLU 25 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1gh8 h GLU 25 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1gh8 h GLU 25 CO 0.03 0.25 0.25 0.82 -1.00 0.00 0.00 179.01 179.36 1gh8 h ILE 26 N 0.00 1.17 -0.70 3.13 2.04 0.22 -1.17 117.51 122.20 1gh8 h ILE 26 Ca -0.00 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1gh8 h ILE 26 Cb 0.51 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1gh8 h ILE 26 CO 0.03 0.19 0.46 1.56 0.00 0.00 0.00 178.15 180.39 1gh8 h GLN 27 N 0.62 0.91 0.00 2.37 4.20 -1.37 -1.19 115.11 120.65 1gh8 h GLN 27 Ca 0.17 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1gh8 h GLN 27 Cb 0.07 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1gh8 h GLN 27 CO -0.02 0.60 -0.31 0.93 -0.67 0.00 0.00 178.83 179.35 1gh8 h GLU 28 N 0.94 0.00 0.00 1.46 4.39 -1.44 -3.09 114.58 116.84 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1gh8 h GLU 28 Cb -0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1gh8 h GLU 28 CO -0.06 0.31 -0.63 2.89 -1.16 0.00 0.00 179.01 180.36 1gh8 n ARG 29 N -3.31 0.25 -1.77 2.33 1.85 -0.49 -4.92 116.66 110.60 1gh8 n ARG 29 Ca 0.01 0.07 -0.41 0.00 -1.00 0.00 0.00 57.85 56.52 1gh8 n ARG 29 Cb 0.55 -1.65 -0.00 0.00 -1.05 0.00 0.00 32.46 30.31 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 -2.01 1.80 -1.49 8.89 2.08 -0.54 -4.74 119.36 123.35 1gh8 n ILE 30 Ca 0.03 -0.45 -0.51 0.00 0.56 0.00 0.00 62.75 62.39 1gh8 n ILE 30 Cb 0.42 -1.98 -0.07 0.00 -0.75 0.00 0.00 39.64 37.27 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 0.79 1.22 0.00 0.38 -0.04 -1.26 -4.77 135.00 131.31 1gh8 n PRO 31 Ca 0.03 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1gh8 n PRO 31 Cb 0.38 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1gh8 n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gh8 n GLU 32 N 7.87 0.00 0.09 0.54 2.13 -1.26 -2.36 120.64 127.65 1gh8 n GLU 32 Ca 0.38 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.97 1gh8 n GLU 32 Cb 0.24 -1.36 -0.15 0.00 0.27 0.00 0.00 31.44 30.44 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1gh8 h GLY 33 N 0.00 0.49 0.00 8.31 0.00 -1.82 -3.47 103.07 106.57 1gh8 h GLY 33 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.09 1gh8 h GLY 33 CO 0.00 1.09 0.00 2.41 0.00 0.00 0.00 176.54 180.04 1gh8 n THR 34 N -3.76 0.00 -4.12 4.70 -1.04 -1.00 -4.74 114.28 104.33 1gh8 n THR 34 Ca -0.20 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 1gh8 n THR 34 Cb 1.03 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.44 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 4.36 0.78 0.35 -2.82 2.02 -1.26 -4.93 118.70 117.21 1gh8 s GLU 35 Ca 0.00 -1.34 -0.06 0.00 0.02 0.00 0.00 54.97 53.59 1gh8 s GLU 35 Cb 0.00 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.54 1gh8 s GLU 35 CO 0.00 -0.19 0.41 1.47 0.02 0.00 0.00 175.26 176.97 1gh8 n LEU 36 N -0.00 0.00 0.00 1.80 -0.00 -1.26 -1.43 117.00 116.10 1gh8 n LEU 36 Ca -0.09 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 1gh8 n LEU 36 Cb 0.62 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1gh8 n LEU 36 CO 0.29 -1.01 0.00 1.57 -0.00 0.00 0.00 177.39 178.24 1gh8 n HIS 37 N -2.84 0.00 -3.64 1.47 -0.00 0.17 -3.14 115.22 107.24 1gh8 n HIS 37 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.69 1gh8 n HIS 37 Cb 0.19 0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 30.18 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1gh8 s LYS 38 N -0.24 0.73 0.36 1.57 -0.14 -1.23 -4.96 119.74 115.84 1gh8 s LYS 38 Ca 0.00 1.18 -0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1gh8 s LYS 38 Cb 0.00 0.20 -0.03 0.00 -1.68 0.00 0.00 37.83 36.31 1gh8 s LYS 38 CO 0.00 -0.14 0.58 0.42 -0.76 0.00 0.00 175.35 175.45 1gh8 s ILE 39 N 1.38 5.08 -0.09 2.17 1.01 -1.25 -1.72 121.20 127.77 1gh8 s ILE 39 Ca -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1gh8 s ILE 39 Cb -0.05 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1gh8 s ILE 39 CO -0.16 -0.59 -0.11 -0.62 0.00 0.00 0.00 174.94 173.46 1gh8 s ASP 40 N -4.04 2.08 -1.31 3.58 2.15 -0.45 -4.85 116.67 113.82 1gh8 s ASP 40 Ca 0.41 -0.33 -0.13 0.00 0.43 0.00 0.00 52.55 52.93 1gh8 s ASP 40 Cb -0.10 -0.90 0.12 0.00 -0.30 0.00 0.00 42.92 41.75 1gh8 s ASP 40 CO 0.37 -0.03 1.83 -0.62 -0.17 0.00 0.00 175.17 176.55 1gh8 n GLU 41 N 4.33 3.31 -3.84 4.34 1.02 -1.26 -0.93 120.64 127.62 1gh8 n GLU 41 Ca -0.18 -3.35 -0.36 0.00 -0.02 0.00 0.00 57.16 53.25 1gh8 n GLU 41 Cb 0.51 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 28.72 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 1.96 3.80 0.45 3.49 2.02 -0.23 -4.94 118.70 125.25 1gh8 s GLU 42 Ca 0.44 -0.19 -0.11 0.00 0.02 0.00 0.00 54.97 55.14 1gh8 s GLU 42 Cb 0.07 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.95 1gh8 s GLU 42 CO -0.00 0.53 0.82 -1.25 0.02 0.00 0.00 175.26 175.38 1gh8 s PRO 43 N -0.31 3.75 0.00 0.39 0.04 -1.26 0.15 135.00 137.75 1gh8 s PRO 43 Ca 0.11 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1gh8 s PRO 43 Cb -0.12 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1gh8 s PRO 43 CO 0.01 -0.14 0.00 -0.89 0.04 0.00 0.00 177.00 176.02 1gh8 n ILE 44 N -1.62 0.00 0.00 0.56 2.08 0.30 -4.73 119.36 115.96 1gh8 n ILE 44 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1gh8 n ILE 44 Cb 0.54 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.15 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 -1.50 0.00 0.18 -1.39 0.00 -1.09 -4.88 120.51 111.83 1gh8 n ALA 45 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1gh8 n ALA 45 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.25 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.32 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1gh8 h PHE 46 CO 0.00 0.39 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 1gh8 n GLY 47 N 0.20 0.49 3.45 -1.45 0.00 -1.26 -5.06 105.19 101.56 1gh8 n GLY 47 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.79 -0.15 0.99 1.43 -1.26 -4.89 118.68 119.58 1gh8 s LEU 48 Ca 0.00 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 52.00 1gh8 s LEU 48 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1gh8 s LEU 48 CO 0.00 -1.11 0.39 -0.69 0.23 0.00 0.00 176.35 175.16 1gh8 s VAL 49 N 3.17 5.24 0.38 -1.59 1.01 -1.26 -0.54 120.40 126.81 1gh8 s VAL 49 Ca 0.18 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1gh8 s VAL 49 Cb -0.19 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1gh8 s VAL 49 CO 0.12 0.34 0.57 0.00 0.00 0.00 0.00 175.10 176.12 1gh8 s ALA 50 N 0.71 3.83 -0.18 5.51 0.00 0.40 -4.72 121.76 127.30 1gh8 s ALA 50 Ca 0.21 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1gh8 s ALA 50 Cb -0.14 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1gh8 s ALA 50 CO 0.07 -0.15 -0.20 -0.51 0.00 0.00 0.00 175.76 174.97 1gh8 s LEU 51 N -4.37 2.09 -0.89 0.00 1.02 0.35 -1.06 118.68 115.82 1gh8 s LEU 51 Ca 0.44 -0.63 -0.19 0.00 0.02 0.00 0.00 54.13 53.76 1gh8 s LEU 51 Cb -0.10 -1.45 0.12 0.00 0.02 0.00 0.00 46.19 44.79 1gh8 s LEU 51 CO 0.35 -0.00 1.09 0.20 0.02 0.00 0.00 176.35 178.01 1gh8 s ASN 52 N 1.29 6.56 -0.55 2.29 0.02 -0.10 -1.47 114.94 122.98 1gh8 s ASN 52 Ca 0.04 -1.91 -0.24 0.00 -1.02 0.00 0.00 52.86 49.73 1gh8 s ASN 52 Cb -0.13 -2.40 0.04 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.12 -1.10 0.94 -0.69 0.02 0.00 0.00 177.10 176.15 1gh8 s VAL 53 N 2.81 4.39 0.54 1.60 1.01 0.66 -1.34 120.40 130.06 1gh8 s VAL 53 Ca 0.31 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1gh8 s VAL 53 Cb -0.07 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1gh8 s VAL 53 CO -0.07 -1.11 0.87 -0.04 0.00 0.00 0.00 175.10 174.76 1gh8 s MET 54 N 3.94 3.48 -0.01 2.72 -1.94 -0.70 -1.64 119.30 125.16 1gh8 s MET 54 Ca 0.30 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1gh8 s MET 54 Cb -0.13 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.45 1gh8 s MET 54 CO 0.19 -0.38 -0.01 0.14 -0.01 0.00 0.00 175.02 174.96 1gh8 s VAL 55 N -2.91 0.08 -0.66 -6.03 -7.23 0.82 0.46 120.40 104.93 1gh8 s VAL 55 Ca 0.50 -0.01 -0.19 0.00 -1.81 0.00 0.00 61.98 60.48 1gh8 s VAL 55 Cb -0.11 -0.10 0.11 0.00 0.56 0.00 0.00 36.38 36.84 1gh8 s VAL 55 CO 0.48 0.04 0.82 -0.69 -0.31 0.00 0.00 175.10 175.44 1gh8 s VAL 56 N 0.20 4.75 -0.02 1.32 1.01 -0.52 -2.16 120.40 124.99 1gh8 s VAL 56 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1gh8 s VAL 56 Cb -0.03 -4.57 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1gh8 s VAL 56 CO -0.01 -1.24 -0.12 0.68 0.00 0.00 0.00 175.10 174.41 1gh8 s VAL 57 N 2.83 0.98 0.04 2.92 -7.23 0.04 -4.05 120.40 115.93 1gh8 s VAL 57 Ca 0.17 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1gh8 s VAL 57 Cb -0.19 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1gh8 s VAL 57 CO 0.04 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1gh8 n GLY 58 N 2.97 -1.42 0.01 2.32 0.00 -1.26 -0.50 105.19 107.30 1gh8 n GLY 58 Ca -0.16 0.58 0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.01 0.08 0.00 1.61 9.92 -1.26 -4.76 116.55 119.13 1gh8 n ASP 59 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1gh8 n ASP 59 Cb 0.00 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 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 -1.39 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 111.99 1gh8 n ALA 60 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1gh8 n ALA 60 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.00 0.00 0.28 -1.26 -5.00 120.64 114.65 1gh8 n GLU 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1gh8 n GLU 61 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.60 0.06 -1.84 0.00 -1.26 -3.66 105.19 97.90 1gh8 n GLY 62 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.44 -1.15 0.00 -0.02 0.00 -1.26 -2.07 105.19 101.12 1gh8 n GLY 63 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.85 0.24 0.19 2.61 -2.24 -1.24 -2.80 114.28 109.19 1gh8 n THR 64 Ca 0.03 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.05 1gh8 n THR 64 Cb 0.21 -0.70 0.81 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.35 -0.78 -0.00 -1.74 -0.11 114.58 111.60 1gh8 h GLU 65 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 59.36 59.46 1gh8 h GLU 65 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.89 1gh8 h GLU 65 CO 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 179.01 179.30 1gh8 h ALA 66 N 1.59 2.17 0.77 1.06 0.00 -1.81 -1.86 119.26 121.18 1gh8 h ALA 66 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.73 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1gh8 h ALA 66 CO -0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 179.25 178.41 1gh8 h ALA 67 N 1.74 -1.04 -0.53 0.00 0.00 -1.30 0.13 119.26 118.26 1gh8 h ALA 67 Ca 0.16 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1gh8 h ALA 67 Cb 0.75 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1gh8 h ALA 67 CO -0.00 -1.06 0.35 0.93 0.00 0.00 0.00 179.25 179.47 1gh8 h GLU 68 N -1.08 0.54 0.22 0.00 5.08 -1.55 -0.42 114.58 117.37 1gh8 h GLU 68 Ca -0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1gh8 h GLU 68 Cb 0.80 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1gh8 h GLU 68 CO 0.17 0.35 -0.10 1.49 -1.00 0.00 0.00 179.01 179.92 1gh8 h GLU 69 N 0.55 -0.28 0.00 2.33 4.81 -0.90 -2.09 114.58 118.99 1gh8 h GLU 69 Ca 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1gh8 h GLU 69 Cb 0.18 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gh8 h GLU 69 CO -0.06 -0.12 -0.02 1.03 -0.73 0.00 0.00 179.01 179.12 1gh8 h SER 70 N -0.38 0.00 0.78 1.04 0.87 -0.10 -1.70 113.55 114.06 1gh8 h SER 70 Ca -0.03 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1gh8 h SER 70 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1gh8 h SER 70 CO 0.05 0.02 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.77 1gh8 h LEU 71 N 0.00 0.00 -1.62 2.23 -0.00 -0.42 0.59 115.31 116.08 1gh8 h LEU 71 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1gh8 h LEU 71 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1gh8 h LEU 71 CO 0.00 0.52 0.00 -1.28 -0.00 0.00 0.00 178.44 177.68 1gh8 h SER 72 N 0.00 0.00 -0.02 -0.43 0.87 -0.91 -3.11 113.55 109.96 1gh8 h SER 72 Ca -0.01 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 1gh8 h SER 72 Cb 1.05 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.77 1gh8 h SER 72 CO 0.07 0.00 -0.61 0.61 -0.53 0.00 0.00 176.83 176.37 1gh8 n GLY 73 N -0.78 0.84 0.00 5.77 0.00 -1.03 -5.13 105.19 104.86 1gh8 n GLY 73 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.07 0.00 -1.54 -0.61 3.06 0.20 -4.74 119.36 115.81 1gh8 n ILE 74 Ca -0.13 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 59.94 1gh8 n ILE 74 Cb 0.89 -1.32 -0.13 0.00 0.54 0.00 0.00 39.64 39.61 1gh8 n ILE 74 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1gh8 n GLU 75 N -0.14 0.35 0.30 9.51 0.28 -1.26 -4.73 120.64 124.95 1gh8 n GLU 75 Ca 0.00 -0.47 0.15 0.00 -0.16 0.00 0.00 57.16 56.68 1gh8 n GLU 75 Cb 0.00 -2.60 0.92 0.00 1.43 0.00 0.00 31.44 31.18 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1gh8 h GLY 76 N 17.82 0.00 1.08 -1.84 0.00 -1.97 -1.88 103.07 116.28 1gh8 h GLY 76 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1gh8 h GLY 76 CO 1.26 0.00 -1.65 -0.24 0.00 0.00 0.00 176.54 175.91 1gh8 h VAL 77 N 0.00 0.99 -3.29 4.60 3.04 -1.94 -3.42 116.25 116.23 1gh8 h VAL 77 Ca -0.00 -2.71 -0.75 0.00 -1.01 0.00 0.00 66.70 62.23 1gh8 h VAL 77 Cb 0.04 2.62 -0.23 0.00 -2.01 0.00 0.00 31.29 31.70 1gh8 h VAL 77 CO 0.00 0.75 0.25 -0.55 -1.01 0.00 0.00 177.57 177.01 1gh8 s SER 78 N -6.72 6.60 0.09 3.17 0.15 -0.71 -0.43 113.70 115.85 1gh8 s SER 78 Ca -0.10 -2.28 -0.30 0.00 0.70 0.00 0.00 55.95 53.97 1gh8 s SER 78 Cb 0.07 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1gh8 s SER 78 CO 0.83 -0.79 1.10 0.21 1.20 0.00 0.00 173.24 175.79 1gh8 s ASN 79 N 2.85 7.23 0.03 5.45 3.04 -0.89 -4.43 114.94 128.22 1gh8 s ASN 79 Ca 0.19 1.95 -0.01 0.00 0.04 0.00 0.00 52.86 55.04 1gh8 s ASN 79 Cb -0.12 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1gh8 s ASN 79 CO -0.06 -0.32 0.17 -0.63 -3.04 0.00 0.00 177.10 173.23 1gh8 s ILE 80 N 0.55 5.25 -1.34 -5.21 1.01 -1.26 -2.91 121.20 117.29 1gh8 s ILE 80 Ca 0.53 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1gh8 s ILE 80 Cb -0.27 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.81 1gh8 s ILE 80 CO 0.31 0.23 1.96 1.21 0.00 0.00 0.00 174.94 178.65 1gh8 n GLU 81 N 0.63 3.33 -1.18 2.79 4.07 0.12 -4.83 120.64 125.57 1gh8 n GLU 81 Ca -0.08 -3.22 -0.28 0.00 -0.06 0.00 0.00 57.16 53.51 1gh8 n GLU 81 Cb 0.52 -3.08 -0.09 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 4.13 3.77 -0.65 6.31 0.31 -1.26 -3.36 118.33 127.58 1gh8 n VAL 82 Ca 0.44 -2.13 0.00 0.00 -0.01 0.00 0.00 64.34 62.64 1gh8 n VAL 82 Cb 0.38 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 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 3.14 0.07 -3.03 2.52 -1.04 -1.26 -5.07 114.28 109.60 1gh8 n THR 83 Ca 0.64 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.05 62.05 1gh8 n THR 83 Cb 0.51 1.50 -0.06 0.00 -1.82 0.00 0.00 70.33 70.46 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 -0.07 7.30 0.05 8.00 1.11 -1.17 -5.03 116.67 126.87 1gh8 s ASP 84 Ca 0.00 1.54 -0.12 0.00 0.18 0.00 0.00 52.55 54.15 1gh8 s ASP 84 Cb 0.00 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1gh8 s ASP 84 CO 0.00 0.18 0.27 0.54 1.18 0.00 0.00 175.17 177.34 1gh8 s VAL 85 N -0.91 0.10 -0.41 -1.27 0.11 -1.26 -1.52 120.40 115.24 1gh8 s VAL 85 Ca 0.35 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1gh8 s VAL 85 Cb -0.22 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.79 1gh8 s VAL 85 CO 0.24 -0.44 0.45 -0.13 -3.33 0.00 0.00 175.10 171.90 1gh8 s ARG 86 N -2.82 0.81 -1.05 1.54 0.52 0.20 -4.89 118.95 113.25 1gh8 s ARG 86 Ca -0.03 -1.22 -0.22 0.00 -0.52 0.00 0.00 55.73 53.74 1gh8 s ARG 86 Cb 0.00 -0.73 0.05 0.00 0.52 0.00 0.00 34.95 34.79 1gh8 s ARG 86 CO -0.05 -1.28 1.52 1.03 0.02 0.00 0.00 175.30 176.54 1gh8 s ARG 87 N 0.96 3.57 -0.95 3.54 0.52 -1.26 -0.54 118.95 124.79 1gh8 s ARG 87 Ca 0.24 -1.18 -0.23 0.00 -0.52 0.00 0.00 55.73 54.04 1gh8 s ARG 87 Cb -0.07 -5.36 0.06 0.00 0.52 0.00 0.00 34.95 30.10 1gh8 s ARG 87 CO -0.08 -2.30 1.34 -0.51 0.02 0.00 0.00 175.30 173.77 1gh8 s LEU 88 N 5.26 3.79 0.00 2.53 1.43 -0.38 -5.00 118.68 126.31 1gh8 s LEU 88 Ca 0.49 -1.40 0.27 0.00 -1.03 0.00 0.00 54.13 52.46 1gh8 s LEU 88 Cb 0.00 -2.53 0.85 0.00 0.03 0.00 0.00 46.19 44.54 1gh8 s LEU 88 CO -0.07 -1.47 1.63 0.23 0.23 0.00 0.00 176.35 176.90