#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 3.87 3.17 0.00 0.18 -4.64 105.19 107.77 1gh8 n GLY 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 6.65 -0.37 1.61 1.01 0.48 -4.65 116.67 121.40 1gh8 s ASP 3 Ca 0.00 0.86 -0.14 0.00 0.71 0.00 0.00 52.55 53.99 1gh8 s ASP 3 Cb 0.00 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.73 1gh8 s ASP 3 CO 0.00 0.04 0.26 -0.69 0.21 0.00 0.00 175.17 175.00 1gh8 s VAL 4 N -1.62 5.27 -0.35 -1.27 1.01 -0.08 -2.21 120.40 121.15 1gh8 s VAL 4 Ca 0.41 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1gh8 s VAL 4 Cb -0.13 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1gh8 s VAL 4 CO 0.21 -0.13 0.17 -0.69 0.00 0.00 0.00 175.10 174.66 1gh8 s VAL 5 N 1.70 4.47 0.00 2.92 1.01 0.54 -1.58 120.40 129.47 1gh8 s VAL 5 Ca 0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1gh8 s VAL 5 Cb -0.18 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1gh8 s VAL 5 CO 0.10 -0.12 0.32 0.00 0.00 0.00 0.00 175.10 175.40 1gh8 s ALA 6 N 1.55 3.78 -0.09 5.51 0.00 -0.90 0.12 121.76 131.73 1gh8 s ALA 6 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1gh8 s ALA 6 Cb -0.18 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1gh8 s ALA 6 CO 0.06 0.57 -0.20 0.99 0.00 0.00 0.00 175.76 177.18 1gh8 s THR 7 N -1.21 1.77 -0.27 0.00 2.01 -0.31 -0.06 115.64 117.56 1gh8 s THR 7 Ca 0.26 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1gh8 s THR 7 Cb -0.14 -1.55 0.07 0.00 0.01 0.00 0.00 72.50 70.88 1gh8 s THR 7 CO 0.14 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.85 1gh8 s ILE 8 N 0.50 2.06 -0.67 1.82 -1.09 -0.69 -3.03 121.20 120.10 1gh8 s ILE 8 Ca -0.16 -1.65 -0.16 0.00 -2.23 0.00 0.00 60.65 56.45 1gh8 s ILE 8 Cb -0.17 -2.24 0.15 0.00 -1.58 0.00 0.00 42.46 38.62 1gh8 s ILE 8 CO 0.06 -0.12 0.68 -0.54 -1.23 0.00 0.00 174.94 173.79 1gh8 s LYS 9 N 1.13 3.24 -0.04 2.79 -0.14 -1.21 -0.29 119.74 125.22 1gh8 s LYS 9 Ca -0.06 -1.85 -0.15 0.00 -1.36 0.00 0.00 55.97 52.54 1gh8 s LYS 9 Cb -0.20 -4.38 -0.05 0.00 -1.68 0.00 0.00 37.83 31.52 1gh8 s LYS 9 CO -0.06 -1.40 0.41 0.14 -0.76 0.00 0.00 175.35 173.68 1gh8 s VAL 10 N 1.50 5.09 -0.11 3.17 -7.23 -0.60 0.34 120.40 122.56 1gh8 s VAL 10 Ca 0.12 0.84 -0.05 0.00 -1.81 0.00 0.00 61.98 61.08 1gh8 s VAL 10 Cb -0.21 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.06 1gh8 s VAL 10 CO -0.01 0.50 0.24 0.00 -0.31 0.00 0.00 175.10 175.52 1gh8 s MET 11 N -0.53 0.16 -0.11 4.82 0.00 -1.13 -0.67 119.30 121.85 1gh8 s MET 11 Ca 0.24 0.62 -0.29 0.00 0.00 0.00 0.00 55.69 56.25 1gh8 s MET 11 Cb -0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 34.83 34.53 1gh8 s MET 11 CO 0.12 -0.23 1.44 -2.14 0.00 0.00 0.00 175.02 174.21 1gh8 s PRO 12 N 1.83 4.21 0.49 3.16 0.02 -1.26 -1.89 135.00 141.57 1gh8 s PRO 12 Ca -0.04 1.91 0.19 0.00 0.02 0.00 0.00 61.00 63.08 1gh8 s PRO 12 Cb -0.11 -3.85 1.23 0.00 0.02 0.00 0.00 34.50 31.79 1gh8 s PRO 12 CO -0.08 -0.76 2.03 0.93 -0.33 0.00 0.00 177.00 178.79 1gh8 h GLU 13 N 8.75 0.15 -7.19 5.54 5.08 -0.98 -3.43 114.58 122.51 1gh8 h GLU 13 Ca -0.33 -0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.55 1gh8 h GLU 13 Cb 1.14 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.39 1gh8 h GLU 13 CO 0.96 0.10 0.38 -1.54 -1.00 0.00 0.00 179.01 177.90 1gh8 s SER 14 N -6.45 6.34 0.00 1.42 1.04 -1.26 -4.92 113.70 109.87 1gh8 s SER 14 Ca -0.06 1.67 0.14 0.00 0.48 0.00 0.00 55.95 58.18 1gh8 s SER 14 Cb 0.19 -2.52 0.83 0.00 0.10 0.00 0.00 66.02 64.61 1gh8 s SER 14 CO 0.72 -0.78 1.30 -0.81 0.98 0.00 0.00 173.24 174.65 1gh8 n PRO 15 N -1.67 0.40 -1.07 4.02 -0.04 -1.26 -3.19 135.00 132.18 1gh8 n PRO 15 Ca 0.07 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1gh8 n PRO 15 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1gh8 n PRO 15 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1gh8 n ASP 16 N -1.06 6.65 -4.53 3.54 -0.08 -1.26 -4.88 116.55 114.92 1gh8 n ASP 16 Ca 0.10 -3.19 -0.23 0.00 -1.51 0.00 0.00 54.79 49.95 1gh8 n ASP 16 Cb 0.06 -1.08 -0.09 0.00 2.34 0.00 0.00 41.12 42.35 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1gh8 n VAL 17 N 0.28 1.14 -1.96 5.18 0.31 -1.19 -4.87 118.33 117.21 1gh8 n VAL 17 Ca 0.38 -1.18 -0.39 0.00 -0.01 0.00 0.00 64.34 63.15 1gh8 n VAL 17 Cb 0.58 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 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 7.25 5.21 0.07 4.52 1.01 -1.26 -4.86 116.67 128.61 1gh8 s ASP 18 Ca 0.73 0.56 -0.27 0.00 0.71 0.00 0.00 52.55 54.28 1gh8 s ASP 18 Cb -0.02 -2.52 -0.17 0.00 1.01 0.00 0.00 42.92 41.22 1gh8 s ASP 18 CO 0.16 -2.38 1.60 0.25 0.21 0.00 0.00 175.17 175.01 1gh8 h LEU 19 N 16.62 -0.35 -0.63 1.23 7.12 -1.92 0.19 115.31 137.57 1gh8 h LEU 19 Ca -0.27 -0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.56 1gh8 h LEU 19 Cb 1.18 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1gh8 h LEU 19 CO 1.19 -0.19 -0.54 1.05 -0.13 0.00 0.00 178.44 179.82 1gh8 h GLU 20 N -0.48 0.40 -0.32 1.25 4.11 -1.99 -0.01 114.58 117.54 1gh8 h GLU 20 Ca -0.04 -0.25 -0.12 0.00 0.07 0.00 0.00 59.36 59.02 1gh8 h GLU 20 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1gh8 h GLU 20 CO 0.07 0.84 -0.28 0.00 0.07 0.00 0.00 179.01 179.71 1gh8 h ALA 21 N 1.11 0.91 -0.27 1.06 0.00 -1.95 -2.07 119.26 118.06 1gh8 h ALA 21 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1gh8 h ALA 21 Cb 1.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1gh8 h ALA 21 CO 0.09 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 181.10 1gh8 h LEU 22 N 0.56 0.43 -0.37 0.00 5.85 -0.23 -2.40 115.31 119.16 1gh8 h LEU 22 Ca 0.07 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1gh8 h LEU 22 Cb 0.77 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1gh8 h LEU 22 CO 0.06 0.58 0.14 0.11 -0.34 0.00 0.00 178.44 179.00 1gh8 h LYS 23 N 0.42 0.30 -0.51 1.25 6.56 -0.31 0.39 116.57 124.67 1gh8 h LYS 23 Ca 0.08 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.60 1gh8 h LYS 23 Cb 0.45 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1gh8 h LYS 23 CO 0.03 0.20 0.13 0.87 -2.06 0.00 0.00 179.45 178.62 1gh8 h LYS 24 N 0.31 0.82 -0.17 3.15 1.57 -1.14 -2.63 116.57 118.47 1gh8 h LYS 24 Ca 0.17 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1gh8 h LYS 24 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1gh8 h LYS 24 CO -0.16 0.78 -0.24 0.93 -0.57 0.00 0.00 179.45 180.19 1gh8 h GLU 25 N 0.71 0.31 -0.62 3.15 5.08 -0.93 -2.88 114.58 119.40 1gh8 h GLU 25 Ca 0.16 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1gh8 h GLU 25 Cb 0.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1gh8 h GLU 25 CO 0.00 0.54 0.33 0.82 -1.00 0.00 0.00 179.01 179.71 1gh8 h ILE 26 N 0.28 1.20 -0.81 3.13 2.04 0.11 0.11 117.51 123.57 1gh8 h ILE 26 Ca 0.05 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1gh8 h ILE 26 Cb 0.59 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1gh8 h ILE 26 CO 0.04 0.23 0.38 1.56 0.00 0.00 0.00 178.15 180.36 1gh8 h GLN 27 N 0.85 1.18 0.00 2.37 4.20 -1.28 -1.90 115.11 120.53 1gh8 h GLN 27 Ca 0.22 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1gh8 h GLN 27 Cb 0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1gh8 h GLN 27 CO -0.03 0.92 0.00 1.05 -0.67 0.00 0.00 178.83 180.09 1gh8 h GLU 28 N 1.16 0.00 0.00 1.46 4.11 -1.33 -3.15 114.58 116.83 1gh8 h GLU 28 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1gh8 h GLU 28 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1gh8 h GLU 28 CO -0.03 0.00 -0.57 2.89 0.07 0.00 0.00 179.01 181.37 1gh8 n ARG 29 N -2.97 0.09 -1.77 1.06 1.85 0.34 -4.93 116.66 110.33 1gh8 n ARG 29 Ca 0.04 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.49 1gh8 n ARG 29 Cb 0.48 -1.55 -0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.67 1.77 -1.62 8.89 2.08 -0.75 -4.81 119.36 123.24 1gh8 n ILE 30 Ca 0.05 -0.44 -0.55 0.00 0.56 0.00 0.00 62.75 62.36 1gh8 n ILE 30 Cb 0.37 -1.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.19 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 0.84 1.20 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.34 1gh8 n PRO 31 Ca 0.03 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1gh8 n PRO 31 Cb 0.38 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 6.35 0.00 -0.01 0.54 4.71 -1.26 -2.60 120.64 128.36 1gh8 n GLU 32 Ca 0.31 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.27 1gh8 n GLU 32 Cb 0.16 -1.39 -0.14 0.00 -1.01 0.00 0.00 31.44 29.07 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 33 N 0.00 0.20 0.00 0.62 0.00 -1.78 -3.46 103.07 98.65 1gh8 h GLY 33 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1gh8 h GLY 33 CO 0.00 0.46 0.00 2.41 0.00 0.00 0.00 176.54 179.41 1gh8 n THR 34 N -4.21 0.00 -4.22 4.70 -1.04 -1.07 -4.67 114.28 103.77 1gh8 n THR 34 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 1gh8 n THR 34 Cb 0.75 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.16 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 4.47 1.11 0.21 -2.82 2.02 -1.26 -4.89 118.70 117.55 1gh8 s GLU 35 Ca 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 54.97 53.40 1gh8 s GLU 35 Cb 0.00 -0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.25 1gh8 s GLU 35 CO 0.00 -0.23 0.24 1.47 0.02 0.00 0.00 175.26 176.76 1gh8 n LEU 36 N -0.24 0.00 0.00 1.80 -0.00 -1.26 -2.38 117.00 114.92 1gh8 n LEU 36 Ca -0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 1gh8 n LEU 36 Cb 0.64 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1gh8 n LEU 36 CO 0.33 -0.88 0.00 1.57 -0.00 0.00 0.00 177.39 178.41 1gh8 n HIS 37 N -2.57 0.00 -3.64 1.47 -0.00 0.20 -3.25 115.22 107.42 1gh8 n HIS 37 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.70 1gh8 n HIS 37 Cb 0.11 0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 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 -0.23 0.55 0.41 1.57 2.47 -1.24 -4.97 119.74 118.30 1gh8 s LYS 38 Ca 0.00 0.96 -0.01 0.00 -1.56 0.00 0.00 55.97 55.35 1gh8 s LYS 38 Cb 0.00 0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1gh8 s LYS 38 CO 0.00 -0.12 0.65 0.42 0.16 0.00 0.00 175.35 176.46 1gh8 s ILE 39 N 1.52 4.82 -0.13 5.43 1.01 -1.26 -2.61 121.20 129.98 1gh8 s ILE 39 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1gh8 s ILE 39 Cb -0.04 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1gh8 s ILE 39 CO -0.18 -0.61 -0.12 -0.62 0.00 0.00 0.00 174.94 173.42 1gh8 s ASP 40 N -4.10 2.47 -1.35 3.58 2.15 -0.60 -4.86 116.67 113.97 1gh8 s ASP 40 Ca 0.44 -0.41 -0.13 0.00 0.43 0.00 0.00 52.55 52.88 1gh8 s ASP 40 Cb -0.10 -1.05 0.10 0.00 -0.30 0.00 0.00 42.92 41.58 1gh8 s ASP 40 CO 0.39 -0.07 1.95 -1.84 -0.17 0.00 0.00 175.17 175.43 1gh8 n GLU 41 N 4.76 3.22 -3.76 4.34 0.28 -1.26 -1.11 120.64 127.11 1gh8 n GLU 41 Ca -0.16 -3.16 -0.36 0.00 -0.16 0.00 0.00 57.16 53.32 1gh8 n GLU 41 Cb 0.50 -3.17 -0.07 0.00 1.43 0.00 0.00 31.44 30.14 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1gh8 s GLU 42 N 2.19 3.83 0.45 3.44 2.02 -0.29 -4.94 118.70 125.40 1gh8 s GLU 42 Ca 0.45 -0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.26 1gh8 s GLU 42 Cb 0.09 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1gh8 s GLU 42 CO -0.02 0.54 0.78 -1.25 0.02 0.00 0.00 175.26 175.34 1gh8 s PRO 43 N -0.37 3.67 0.00 0.39 0.04 -1.26 0.14 135.00 137.60 1gh8 s PRO 43 Ca 0.13 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1gh8 s PRO 43 Cb -0.12 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1gh8 s PRO 43 CO 0.02 -0.13 0.00 -0.89 0.04 0.00 0.00 177.00 176.05 1gh8 n ILE 44 N -1.77 0.00 0.00 0.56 2.08 0.16 -4.74 119.36 115.66 1gh8 n ILE 44 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1gh8 n ILE 44 Cb 0.54 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 -1.64 0.00 0.10 -1.39 0.00 -1.13 -4.88 120.51 111.57 1gh8 n ALA 45 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1gh8 n ALA 45 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.24 0.00 0.00 0.04 -2.03 -3.38 116.94 111.81 1gh8 h PHE 46 Ca 0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1gh8 h PHE 46 Cb 0.00 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1gh8 h PHE 46 CO 0.00 0.67 0.00 0.41 -0.60 0.00 0.00 178.31 178.79 1gh8 n GLY 47 N 0.04 -0.27 3.43 -1.45 0.00 -1.26 -5.06 105.19 100.62 1gh8 n GLY 47 Ca -0.02 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 4.80 -0.13 0.99 1.43 -1.26 -4.89 118.68 119.61 1gh8 s LEU 48 Ca 0.00 -1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1gh8 s LEU 48 Cb 0.00 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1gh8 s LEU 48 CO 0.00 -1.21 0.45 -0.69 0.23 0.00 0.00 176.35 175.13 1gh8 s VAL 49 N 3.32 5.20 0.32 -1.59 1.01 -1.26 -0.66 120.40 126.74 1gh8 s VAL 49 Ca 0.18 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1gh8 s VAL 49 Cb -0.19 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.10 0.32 0.50 0.00 0.00 0.00 0.00 175.10 176.02 1gh8 s ALA 50 N 0.68 3.78 -0.18 5.51 0.00 0.37 -4.71 121.76 127.20 1gh8 s ALA 50 Ca 0.24 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1gh8 s ALA 50 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.00 1gh8 s ALA 50 CO 0.09 0.04 -0.19 -0.51 0.00 0.00 0.00 175.76 175.19 1gh8 s LEU 51 N -4.23 2.14 -0.91 0.00 1.02 0.16 -1.14 118.68 115.72 1gh8 s LEU 51 Ca 0.39 -0.67 -0.19 0.00 0.02 0.00 0.00 54.13 53.68 1gh8 s LEU 51 Cb -0.09 -1.45 0.13 0.00 0.02 0.00 0.00 46.19 44.79 1gh8 s LEU 51 CO 0.34 -0.01 1.10 0.20 0.02 0.00 0.00 176.35 178.00 1gh8 s ASN 52 N 1.30 6.60 -0.56 2.29 0.02 -0.26 -1.56 114.94 122.76 1gh8 s ASN 52 Ca 0.04 -1.99 -0.23 0.00 -1.02 0.00 0.00 52.86 49.67 1gh8 s ASN 52 Cb -0.13 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.12 -1.08 0.89 -0.69 0.02 0.00 0.00 177.10 176.12 1gh8 s VAL 53 N 2.71 4.45 0.59 1.60 1.01 0.61 -1.56 120.40 129.81 1gh8 s VAL 53 Ca 0.31 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1gh8 s VAL 53 Cb -0.06 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1gh8 s VAL 53 CO -0.08 -1.12 0.91 -0.04 0.00 0.00 0.00 175.10 174.77 1gh8 s MET 54 N 3.76 3.04 -0.01 2.72 -1.94 -1.07 -1.70 119.30 124.09 1gh8 s MET 54 Ca 0.26 0.11 -0.00 0.00 -1.71 0.00 0.00 55.69 54.36 1gh8 s MET 54 Cb -0.14 -2.25 0.01 0.00 2.01 0.00 0.00 34.83 34.46 1gh8 s MET 54 CO 0.16 -0.66 0.02 0.14 -0.01 0.00 0.00 175.02 174.67 1gh8 s VAL 55 N -3.01 -0.02 -0.39 -6.03 -7.23 0.91 0.60 120.40 105.23 1gh8 s VAL 55 Ca 0.53 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 1gh8 s VAL 55 Cb -0.11 -0.05 0.01 0.00 0.56 0.00 0.00 36.38 36.80 1gh8 s VAL 55 CO 0.46 0.04 0.47 -0.69 -0.31 0.00 0.00 175.10 175.07 1gh8 s VAL 56 N 0.43 5.04 -0.01 1.32 1.01 -1.00 -2.11 120.40 125.08 1gh8 s VAL 56 Ca -0.04 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1gh8 s VAL 56 Cb -0.05 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1gh8 s VAL 56 CO -0.01 -0.34 -0.13 0.68 0.00 0.00 0.00 175.10 175.30 1gh8 s VAL 57 N 2.28 1.01 0.12 2.92 -7.23 -0.61 -4.15 120.40 114.73 1gh8 s VAL 57 Ca 0.15 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1gh8 s VAL 57 Cb -0.16 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1gh8 s VAL 57 CO 0.14 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1gh8 n GLY 58 N 2.86 -1.60 0.09 2.32 0.00 -1.26 -0.90 105.19 106.70 1gh8 n GLY 58 Ca -0.15 0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.56 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gh8 n ASP 59 N -2.99 0.74 0.00 1.61 2.03 -1.26 -4.77 116.55 111.91 1gh8 n ASP 59 Ca 0.00 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1gh8 n ASP 59 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gh8 n ALA 60 N -1.77 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 107.70 1gh8 n ALA 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1gh8 n ALA 60 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.02 0.00 0.28 -1.26 -5.01 120.64 114.63 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 0.02 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 0.00 0.00 -1.84 0.00 -1.26 -3.84 105.19 98.25 1gh8 n GLY 62 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.36 -0.61 0.00 -0.02 0.00 -1.26 -2.54 105.19 101.13 1gh8 n GLY 63 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.09 0.22 0.22 2.61 -2.24 -1.25 -2.55 114.28 110.21 1gh8 n THR 64 Ca 0.11 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1gh8 n THR 64 Cb 0.08 -0.70 0.84 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.17 -0.78 4.11 -1.84 -0.28 114.58 115.61 1gh8 h GLU 65 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1gh8 h GLU 65 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1gh8 h GLU 65 CO 0.00 0.00 0.23 0.00 0.07 0.00 0.00 179.01 179.31 1gh8 h ALA 66 N 1.61 1.73 0.58 1.06 0.00 -1.84 -1.91 119.26 120.48 1gh8 h ALA 66 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.64 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gh8 h ALA 66 CO -0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 179.25 178.65 1gh8 h ALA 67 N 1.71 -0.78 -0.57 0.00 0.00 -1.34 0.12 119.26 118.40 1gh8 h ALA 67 Ca 0.08 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1gh8 h ALA 67 Cb 0.54 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1gh8 h ALA 67 CO -0.00 -0.90 0.38 0.93 0.00 0.00 0.00 179.25 179.65 1gh8 h GLU 68 N -0.85 0.58 0.22 0.00 5.08 -1.56 -0.49 114.58 117.56 1gh8 h GLU 68 Ca -0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.63 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1gh8 h GLU 68 CO 0.13 0.38 -0.11 0.93 -1.00 0.00 0.00 179.01 179.35 1gh8 h GLU 69 N 0.60 -0.28 0.00 2.33 5.08 -1.05 -2.02 114.58 119.23 1gh8 h GLU 69 Ca 0.24 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1gh8 h GLU 69 Cb 0.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1gh8 h GLU 69 CO -0.07 -0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.47 1gh8 h SER 70 N -0.37 0.00 0.68 1.42 4.64 -0.07 -1.84 113.55 118.01 1gh8 h SER 70 Ca -0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 1gh8 h SER 70 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1gh8 h SER 70 CO 0.05 0.00 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.27 1gh8 h LEU 71 N 0.00 0.00 -0.47 5.97 -0.00 -0.38 0.59 115.31 121.01 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1gh8 h LEU 71 CO 0.00 0.67 0.00 -0.24 -0.00 0.00 0.00 178.44 178.87 1gh8 n SER 72 N -3.73 0.27 -0.93 -0.43 2.88 -0.69 -2.94 113.62 108.05 1gh8 n SER 72 Ca -0.01 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1gh8 n SER 72 Cb 0.66 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.73 0.74 0.00 0.46 0.00 -1.04 -5.12 105.19 99.49 1gh8 n GLY 73 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.13 0.00 -1.53 -0.61 3.06 0.20 -4.77 119.36 115.84 1gh8 n ILE 74 Ca -0.08 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.86 1gh8 n ILE 74 Cb 0.77 -1.31 -0.10 0.00 0.54 0.00 0.00 39.64 39.55 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 -0.48 0.51 0.20 9.51 0.00 -1.26 -4.76 120.64 124.35 1gh8 n GLU 75 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 57.16 57.04 1gh8 n GLU 75 Cb 0.00 -2.62 0.53 0.00 0.00 0.00 0.00 31.44 29.34 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1gh8 h GLY 76 N 16.96 0.10 1.27 -1.84 0.00 -1.97 -2.59 103.07 115.00 1gh8 h GLY 76 Ca -0.10 -0.05 -0.29 0.00 0.00 0.00 0.00 47.33 46.89 1gh8 h GLY 76 CO 1.26 0.05 -1.51 -2.08 0.00 0.00 0.00 176.54 174.26 1gh8 h VAL 77 N 0.10 1.14 -3.17 4.60 2.07 -1.95 -3.41 116.25 115.63 1gh8 h VAL 77 Ca 0.02 -2.86 -0.74 0.00 0.82 0.00 0.00 66.70 63.94 1gh8 h VAL 77 Cb 0.17 2.66 -0.22 0.00 -1.52 0.00 0.00 31.29 32.38 1gh8 h VAL 77 CO 0.01 0.76 0.38 -0.55 0.02 0.00 0.00 177.57 178.19 1gh8 s SER 78 N -6.68 6.64 0.11 0.57 0.15 -0.98 -0.23 113.70 113.28 1gh8 s SER 78 Ca -0.07 -2.30 -0.30 0.00 0.70 0.00 0.00 55.95 53.98 1gh8 s SER 78 Cb 0.08 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.83 -0.82 1.13 0.21 1.20 0.00 0.00 173.24 175.79 1gh8 s ASN 79 N 2.90 7.20 0.04 5.45 3.04 -0.79 -4.41 114.94 128.37 1gh8 s ASN 79 Ca 0.23 2.01 -0.00 0.00 0.04 0.00 0.00 52.86 55.14 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 -0.33 0.18 -0.63 -3.04 0.00 0.00 177.10 173.20 1gh8 s ILE 80 N 0.43 5.23 -1.35 -5.21 1.09 -1.26 -2.85 121.20 117.28 1gh8 s ILE 80 Ca 0.54 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 59.58 1gh8 s ILE 80 Cb -0.29 -3.51 0.11 0.00 -1.06 0.00 0.00 42.46 37.72 1gh8 s ILE 80 CO 0.32 0.19 2.05 1.21 -0.10 0.00 0.00 174.94 178.61 1gh8 n GLU 81 N 0.52 3.38 -1.13 2.79 2.13 0.15 -4.82 120.64 123.66 1gh8 n GLU 81 Ca -0.07 -3.16 -0.24 0.00 0.66 0.00 0.00 57.16 54.35 1gh8 n GLU 81 Cb 0.52 -3.04 -0.11 0.00 0.27 0.00 0.00 31.44 29.07 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1gh8 n VAL 82 N 3.91 3.57 -0.64 6.31 0.31 -1.26 -3.36 118.33 127.17 1gh8 n VAL 82 Ca 0.46 -1.97 0.00 0.00 -0.01 0.00 0.00 64.34 62.82 1gh8 n VAL 82 Cb 0.37 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 2.97 0.02 -3.05 2.52 -1.04 -1.26 -5.07 114.28 109.37 1gh8 n THR 83 Ca 0.59 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 62.01 1gh8 n THR 83 Cb 0.62 1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 70.67 1gh8 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gh8 s ASP 84 N -0.02 7.21 0.07 8.00 -1.08 -1.17 -5.03 116.67 124.66 1gh8 s ASP 84 Ca 0.00 1.44 -0.11 0.00 -0.52 0.00 0.00 52.55 53.36 1gh8 s ASP 84 Cb 0.00 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1gh8 s ASP 84 CO 0.00 0.11 0.24 0.54 0.52 0.00 0.00 175.17 176.58 1gh8 s VAL 85 N -0.49 0.11 -0.43 1.11 0.11 -1.26 -1.16 120.40 118.38 1gh8 s VAL 85 Ca 0.36 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1gh8 s VAL 85 Cb -0.21 -1.16 0.17 0.00 -1.53 0.00 0.00 36.38 33.66 1gh8 s VAL 85 CO 0.23 -0.52 0.43 -0.13 -3.33 0.00 0.00 175.10 171.77 1gh8 s ARG 86 N -3.35 0.90 -1.33 1.54 1.81 0.32 -4.88 118.95 113.97 1gh8 s ARG 86 Ca 0.01 -1.72 -0.17 0.00 -1.72 0.00 0.00 55.73 52.13 1gh8 s ARG 86 Cb 0.02 -1.02 0.05 0.00 -0.45 0.00 0.00 34.95 33.56 1gh8 s ARG 86 CO -0.08 -1.35 1.89 0.54 -0.68 0.00 0.00 175.30 175.62 1gh8 n ARG 87 N 3.04 3.02 -2.66 3.54 5.12 -1.26 -0.34 116.66 127.12 1gh8 n ARG 87 Ca 0.25 -3.04 -0.42 0.00 -1.93 0.00 0.00 57.85 52.71 1gh8 n ARG 87 Cb 0.49 -3.44 -0.03 0.00 -1.16 0.00 0.00 32.46 28.32 1gh8 n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1gh8 s LEU 88 N 3.82 3.86 0.00 0.55 1.43 -0.94 -4.99 118.68 122.42 1gh8 s LEU 88 Ca 0.53 -1.43 0.27 0.00 -1.03 0.00 0.00 54.13 52.47 1gh8 s LEU 88 Cb 0.07 -2.52 0.83 0.00 0.03 0.00 0.00 46.19 44.60 1gh8 s LEU 88 CO 0.03 -1.45 1.62 0.23 0.23 0.00 0.00 176.35 177.02