#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 3.71 3.17 0.00 0.33 -4.69 105.19 107.70 1gh8 n GLY 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 6.50 -0.47 1.61 1.01 0.06 -4.73 116.67 120.65 1gh8 s ASP 3 Ca 0.00 0.58 -0.19 0.00 0.71 0.00 0.00 52.55 53.66 1gh8 s ASP 3 Cb 0.00 -2.22 0.04 0.00 1.01 0.00 0.00 42.92 41.75 1gh8 s ASP 3 CO 0.00 0.03 0.56 -0.69 0.21 0.00 0.00 175.17 175.27 1gh8 s VAL 4 N 0.74 4.95 -0.40 -1.27 1.01 -0.59 -2.46 120.40 122.39 1gh8 s VAL 4 Ca 0.20 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1gh8 s VAL 4 Cb -0.14 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1gh8 s VAL 4 CO 0.07 -0.64 0.25 -0.69 0.00 0.00 0.00 175.10 174.08 1gh8 s VAL 5 N 2.45 4.52 -0.05 2.92 1.01 0.01 -2.26 120.40 128.99 1gh8 s VAL 5 Ca 0.15 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1gh8 s VAL 5 Cb -0.18 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1gh8 s VAL 5 CO 0.13 -0.38 0.26 0.00 0.00 0.00 0.00 175.10 175.11 1gh8 s ALA 6 N 1.51 3.81 -0.07 5.51 0.00 -1.00 0.13 121.76 131.65 1gh8 s ALA 6 Ca 0.02 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1gh8 s ALA 6 Cb -0.21 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1gh8 s ALA 6 CO 0.05 0.58 -0.21 0.99 0.00 0.00 0.00 175.76 177.16 1gh8 s THR 7 N -1.11 1.80 -0.25 0.00 2.01 0.22 0.01 115.64 118.31 1gh8 s THR 7 Ca 0.21 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1gh8 s THR 7 Cb -0.14 -1.54 0.06 0.00 0.01 0.00 0.00 72.50 70.89 1gh8 s THR 7 CO 0.10 0.50 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.84 1gh8 s ILE 8 N 0.14 1.73 -0.67 1.82 -1.09 -0.76 -3.11 121.20 119.25 1gh8 s ILE 8 Ca -0.10 -1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 56.77 1gh8 s ILE 8 Cb -0.15 -1.97 0.17 0.00 -1.58 0.00 0.00 42.46 38.93 1gh8 s ILE 8 CO 0.05 -0.13 0.63 -0.54 -1.23 0.00 0.00 174.94 173.73 1gh8 s LYS 9 N 1.29 3.26 -0.04 2.79 -0.14 -1.22 -0.06 119.74 125.63 1gh8 s LYS 9 Ca -0.05 -2.01 -0.15 0.00 -1.36 0.00 0.00 55.97 52.39 1gh8 s LYS 9 Cb -0.19 -4.36 -0.05 0.00 -1.68 0.00 0.00 37.83 31.54 1gh8 s LYS 9 CO -0.06 -1.33 0.41 0.14 -0.76 0.00 0.00 175.35 173.74 1gh8 s VAL 10 N 1.06 5.09 -0.14 3.17 -7.23 -0.54 0.23 120.40 122.05 1gh8 s VAL 10 Ca 0.10 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.05 1gh8 s VAL 10 Cb -0.21 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.07 1gh8 s VAL 10 CO -0.02 0.50 0.29 0.00 -0.31 0.00 0.00 175.10 175.56 1gh8 s MET 11 N -0.54 0.18 -0.06 4.82 0.23 -1.14 -0.14 119.30 122.66 1gh8 s MET 11 Ca 0.23 0.79 -0.30 0.00 -1.03 0.00 0.00 55.69 55.38 1gh8 s MET 11 Cb -0.16 0.02 -0.05 0.00 -1.53 0.00 0.00 34.83 33.12 1gh8 s MET 11 CO 0.12 -0.27 1.49 -2.14 -2.03 0.00 0.00 175.02 172.19 1gh8 s PRO 12 N 2.39 4.22 0.51 3.16 0.02 -1.26 -2.26 135.00 141.78 1gh8 s PRO 12 Ca 0.00 2.01 0.20 0.00 0.02 0.00 0.00 61.00 63.23 1gh8 s PRO 12 Cb -0.12 -3.80 1.29 0.00 0.02 0.00 0.00 34.50 31.89 1gh8 s PRO 12 CO -0.09 -0.73 2.05 0.93 -0.33 0.00 0.00 177.00 178.83 1gh8 h GLU 13 N 8.68 0.07 -7.03 5.54 5.08 -1.20 -3.43 114.58 122.28 1gh8 h GLU 13 Ca -0.36 -0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.54 1gh8 h GLU 13 Cb 1.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1gh8 h GLU 13 CO 0.94 0.04 0.36 -1.12 -1.00 0.00 0.00 179.01 178.24 1gh8 s SER 14 N -6.54 6.79 0.00 1.42 0.01 -1.26 -4.92 113.70 109.19 1gh8 s SER 14 Ca -0.05 1.82 0.08 0.00 1.31 0.00 0.00 55.95 59.11 1gh8 s SER 14 Cb 0.19 -2.56 0.41 0.00 0.21 0.00 0.00 66.02 64.27 1gh8 s SER 14 CO 0.71 -0.47 1.17 -0.81 0.41 0.00 0.00 173.24 174.25 1gh8 n PRO 15 N -0.54 0.09 -0.86 12.44 -0.04 -1.26 -2.58 135.00 142.25 1gh8 n PRO 15 Ca 0.07 0.24 -0.17 0.00 -0.04 0.00 0.00 63.50 63.60 1gh8 n PRO 15 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1gh8 n PRO 15 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gh8 n ASP 16 N -1.34 5.22 -4.56 3.54 5.68 -1.26 -4.88 116.55 118.95 1gh8 n ASP 16 Ca 0.03 -3.08 -0.24 0.00 -0.50 0.00 0.00 54.79 51.00 1gh8 n ASP 16 Cb 0.07 -0.88 -0.06 0.00 -1.14 0.00 0.00 41.12 39.11 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gh8 s VAL 17 N -2.39 3.36 -0.45 2.12 0.11 -1.06 -4.89 120.40 117.20 1gh8 s VAL 17 Ca 0.36 -0.39 -0.27 0.00 -2.93 0.00 0.00 61.98 58.75 1gh8 s VAL 17 Cb 0.29 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1gh8 s VAL 17 CO 0.03 -0.73 1.89 -1.81 -3.33 0.00 0.00 175.10 171.15 1gh8 s ASP 18 N 8.30 5.51 0.07 3.54 1.11 -1.26 -4.83 116.67 129.11 1gh8 s ASP 18 Ca 0.75 0.94 -0.29 0.00 0.18 0.00 0.00 52.55 54.13 1gh8 s ASP 18 Cb -0.07 -2.52 -0.17 0.00 1.07 0.00 0.00 42.92 41.22 1gh8 s ASP 18 CO 0.04 -2.08 1.63 0.25 1.18 0.00 0.00 175.17 176.20 1gh8 h LEU 19 N 15.30 -0.48 -0.66 1.23 7.12 -1.90 0.36 115.31 136.28 1gh8 h LEU 19 Ca -0.30 -0.00 -0.14 0.00 0.13 0.00 0.00 57.88 57.57 1gh8 h LEU 19 Cb 1.18 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1gh8 h LEU 19 CO 1.11 -0.32 -0.53 1.05 -0.13 0.00 0.00 178.44 179.63 1gh8 h GLU 20 N -0.60 0.38 -0.25 1.25 9.09 -1.99 -0.18 114.58 122.28 1gh8 h GLU 20 Ca -0.06 -0.23 -0.12 0.00 0.05 0.00 0.00 59.36 59.00 1gh8 h GLU 20 Cb 0.45 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1gh8 h GLU 20 CO 0.09 0.82 -0.35 0.00 0.05 0.00 0.00 179.01 179.62 1gh8 h ALA 21 N 1.14 0.92 -0.38 1.06 0.00 -1.94 -2.12 119.26 117.94 1gh8 h ALA 21 Ca 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 1.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1gh8 h ALA 21 CO 0.09 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.17 1gh8 h LEU 22 N 0.47 0.60 -0.30 0.00 5.85 0.14 -1.40 115.31 120.66 1gh8 h LEU 22 Ca 0.05 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1gh8 h LEU 22 Cb 0.82 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1gh8 h LEU 22 CO 0.07 0.70 0.01 0.11 -0.34 0.00 0.00 178.44 178.98 1gh8 h LYS 23 N 0.59 0.09 -0.50 1.25 6.56 -0.38 0.56 116.57 124.74 1gh8 h LYS 23 Ca 0.12 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.58 1gh8 h LYS 23 Cb 0.43 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.05 1gh8 h LYS 23 CO 0.02 0.06 -0.15 0.87 -2.06 0.00 0.00 179.45 178.19 1gh8 h LYS 24 N 0.10 0.97 -0.14 3.15 1.57 -1.08 -2.51 116.57 118.62 1gh8 h LYS 24 Ca 0.14 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1gh8 h LYS 24 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gh8 h LYS 24 CO -0.23 1.05 -0.26 0.93 -0.57 0.00 0.00 179.45 180.36 1gh8 h GLU 25 N 0.85 0.25 -0.66 3.15 5.08 -0.64 -2.44 114.58 120.17 1gh8 h GLU 25 Ca 0.13 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1gh8 h GLU 25 Cb 0.71 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1gh8 h GLU 25 CO 0.05 0.50 0.22 0.82 -1.00 0.00 0.00 179.01 179.60 1gh8 h ILE 26 N 0.23 1.24 -0.69 3.13 2.04 0.41 -1.55 117.51 122.32 1gh8 h ILE 26 Ca 0.04 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1gh8 h ILE 26 Cb 0.58 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1gh8 h ILE 26 CO 0.04 0.32 0.45 -0.61 0.00 0.00 0.00 178.15 178.35 1gh8 h GLN 27 N 0.98 0.87 0.00 2.37 -0.00 -1.02 -1.08 115.11 117.22 1gh8 h GLN 27 Ca 0.22 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.79 1gh8 h GLN 27 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.55 1gh8 h GLN 27 CO -0.01 0.57 -0.12 1.05 0.00 0.00 0.00 178.83 180.32 1gh8 h GLU 28 N 0.89 0.00 -0.00 1.69 -0.00 -1.38 -3.15 114.58 112.63 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 1gh8 h GLU 28 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1gh8 h GLU 28 CO -0.08 0.12 -0.39 2.89 -0.00 0.00 0.00 179.01 181.55 1gh8 n ARG 29 N -3.15 0.22 -1.77 1.06 1.85 -0.61 -4.92 116.66 109.34 1gh8 n ARG 29 Ca 0.03 -0.12 -0.41 0.00 -1.00 0.00 0.00 57.85 56.35 1gh8 n ARG 29 Cb 0.54 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.44 1gh8 n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1gh8 s ILE 30 N -2.87 2.01 -0.29 8.89 -1.09 -0.47 -4.78 121.20 122.61 1gh8 s ILE 30 Ca 0.15 0.01 -0.39 0.00 -2.23 0.00 0.00 60.65 58.19 1gh8 s ILE 30 Cb 0.18 -3.01 -0.15 0.00 -1.58 0.00 0.00 42.46 37.91 1gh8 s ILE 30 CO 0.64 0.00 1.86 -0.81 -1.23 0.00 0.00 174.94 175.40 1gh8 n PRO 31 N 1.31 1.17 0.00 2.79 -0.04 -1.26 -4.77 135.00 134.19 1gh8 n PRO 31 Ca 0.05 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1gh8 n PRO 31 Cb 0.38 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 6.15 0.00 -0.03 0.54 -0.58 -1.26 -3.11 120.64 122.34 1gh8 n GLU 32 Ca 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1gh8 n GLU 32 Cb 0.15 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1gh8 h GLY 33 N 0.00 0.00 0.00 0.62 0.00 -1.78 -3.47 103.07 98.45 1gh8 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gh8 h GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1gh8 n THR 34 N -3.68 0.00 -4.24 4.70 -1.04 -1.18 -4.81 114.28 104.03 1gh8 n THR 34 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 1gh8 n THR 34 Cb 0.04 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1gh8 s GLU 35 N 4.40 1.31 0.85 -2.82 -1.05 -1.26 -4.90 118.70 115.25 1gh8 s GLU 35 Ca 0.00 -1.71 -0.14 0.00 -0.15 0.00 0.00 54.97 52.97 1gh8 s GLU 35 Cb 0.00 0.15 0.21 0.00 -0.44 0.00 0.00 34.13 34.04 1gh8 s GLU 35 CO 0.00 -0.40 0.94 1.47 0.95 0.00 0.00 175.26 178.22 1gh8 n LEU 36 N -0.36 0.00 0.00 1.83 -0.00 -1.26 -3.56 117.00 113.65 1gh8 n LEU 36 Ca 0.02 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 1gh8 n LEU 36 Cb 0.66 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1gh8 n LEU 36 CO 0.34 -1.57 0.00 1.57 -0.00 0.00 0.00 177.39 177.73 1gh8 n HIS 37 N -3.88 0.00 -3.62 1.47 -0.00 0.19 -3.37 115.22 106.02 1gh8 n HIS 37 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1gh8 n HIS 37 Cb 0.45 0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.57 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 -0.67 0.55 0.30 1.57 2.47 -1.20 -4.94 119.74 117.82 1gh8 s LYS 38 Ca 0.00 1.08 -0.02 0.00 -1.56 0.00 0.00 55.97 55.48 1gh8 s LYS 38 Cb 0.00 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.65 1gh8 s LYS 38 CO 0.00 -0.14 0.52 0.42 0.16 0.00 0.00 175.35 176.31 1gh8 s ILE 39 N 1.94 5.10 -0.13 5.43 1.01 -1.25 -2.05 121.20 131.25 1gh8 s ILE 39 Ca -0.08 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1gh8 s ILE 39 Cb -0.06 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1gh8 s ILE 39 CO -0.18 -0.40 -0.18 -1.81 0.00 0.00 0.00 174.94 172.37 1gh8 s ASP 40 N -3.56 2.80 -1.29 3.58 1.01 -0.28 -4.86 116.67 114.07 1gh8 s ASP 40 Ca 0.41 -0.52 -0.08 0.00 0.71 0.00 0.00 52.55 53.07 1gh8 s ASP 40 Cb -0.10 -1.28 0.15 0.00 1.01 0.00 0.00 42.92 42.70 1gh8 s ASP 40 CO 0.33 0.03 2.06 -0.62 0.21 0.00 0.00 175.17 177.18 1gh8 n GLU 41 N 4.25 4.01 -3.81 8.23 4.71 -1.26 -0.86 120.64 135.90 1gh8 n GLU 41 Ca -0.19 -3.52 -0.33 0.00 -0.01 0.00 0.00 57.16 53.11 1gh8 n GLU 41 Cb 0.51 -2.80 -0.05 0.00 -1.01 0.00 0.00 31.44 28.09 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1gh8 s GLU 42 N -0.26 3.53 0.43 3.49 8.01 -0.49 -4.91 118.70 128.49 1gh8 s GLU 42 Ca 0.45 -0.21 -0.04 0.00 0.01 0.00 0.00 54.97 55.18 1gh8 s GLU 42 Cb 0.13 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 1gh8 s GLU 42 CO -0.03 0.61 0.70 -1.25 0.01 0.00 0.00 175.26 175.30 1gh8 s PRO 43 N -2.13 3.54 0.00 0.39 0.04 -1.26 0.18 135.00 135.75 1gh8 s PRO 43 Ca 0.32 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1gh8 s PRO 43 Cb -0.13 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1gh8 s PRO 43 CO 0.21 -0.07 0.00 -0.89 0.04 0.00 0.00 177.00 176.29 1gh8 n ILE 44 N -2.01 0.00 0.00 0.56 2.08 0.30 -4.71 119.36 115.58 1gh8 n ILE 44 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1gh8 n ILE 44 Cb 0.55 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 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 0.21 -1.39 0.00 -1.12 -4.87 120.51 111.83 1gh8 n ALA 45 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1gh8 n ALA 45 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 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 0.28 0.00 0.41 -1.61 0.00 0.00 178.31 177.39 1gh8 n GLY 47 N 0.22 0.59 3.48 -1.45 0.00 -1.26 -5.07 105.19 101.69 1gh8 n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.69 -0.14 0.99 1.43 -1.26 -4.97 118.68 119.42 1gh8 s LEU 48 Ca 0.00 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1gh8 s LEU 48 Cb 0.00 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1gh8 s LEU 48 CO 0.00 -0.91 0.37 -0.69 0.23 0.00 0.00 176.35 175.36 1gh8 s VAL 49 N 2.88 5.25 0.36 -1.59 1.01 -1.26 -0.54 120.40 126.52 1gh8 s VAL 49 Ca 0.20 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1gh8 s VAL 49 Cb -0.17 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1gh8 s VAL 49 CO 0.15 0.37 0.55 0.00 0.00 0.00 0.00 175.10 176.17 1gh8 s ALA 50 N 0.49 3.81 -0.26 5.51 0.00 0.47 -4.74 121.76 127.04 1gh8 s ALA 50 Ca 0.21 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1gh8 s ALA 50 Cb -0.14 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.00 1gh8 s ALA 50 CO 0.07 -0.10 -0.06 -0.51 0.00 0.00 0.00 175.76 175.16 1gh8 s LEU 51 N -4.33 3.30 -0.92 0.00 2.01 0.80 -1.40 118.68 118.14 1gh8 s LEU 51 Ca 0.42 -1.01 -0.19 0.00 0.01 0.00 0.00 54.13 53.37 1gh8 s LEU 51 Cb -0.10 -1.65 0.13 0.00 0.01 0.00 0.00 46.19 44.59 1gh8 s LEU 51 CO 0.35 -0.15 1.10 0.20 1.01 0.00 0.00 176.35 178.86 1gh8 s ASN 52 N 1.28 6.62 -0.61 2.29 0.02 -0.04 -1.47 114.94 123.03 1gh8 s ASN 52 Ca -0.02 -2.05 -0.22 0.00 -1.02 0.00 0.00 52.86 49.55 1gh8 s ASN 52 Cb -0.17 -2.39 0.06 0.00 0.02 0.00 0.00 41.25 38.77 1gh8 s ASN 52 CO -0.04 -1.05 0.91 -0.69 0.02 0.00 0.00 177.10 176.25 1gh8 s VAL 53 N 2.59 4.43 0.57 1.60 1.01 0.92 -1.13 120.40 130.38 1gh8 s VAL 53 Ca 0.32 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1gh8 s VAL 53 Cb -0.05 -4.59 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1gh8 s VAL 53 CO -0.09 -1.28 0.88 -0.04 0.00 0.00 0.00 175.10 174.57 1gh8 s MET 54 N 3.81 3.08 -0.04 2.72 -1.94 -0.87 -1.83 119.30 124.23 1gh8 s MET 54 Ca 0.23 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1gh8 s MET 54 Cb -0.16 -2.29 0.03 0.00 2.01 0.00 0.00 34.83 34.41 1gh8 s MET 54 CO 0.13 -0.58 -0.00 0.14 -0.01 0.00 0.00 175.02 174.69 1gh8 s VAL 55 N -2.94 0.25 -0.39 -6.03 -7.23 0.10 0.56 120.40 104.72 1gh8 s VAL 55 Ca 0.52 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.62 1gh8 s VAL 55 Cb -0.10 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.49 1gh8 s VAL 55 CO 0.45 0.18 0.36 0.54 -0.31 0.00 0.00 175.10 176.32 1gh8 s VAL 56 N 1.24 5.18 0.33 1.32 0.11 -1.22 -2.36 120.40 125.00 1gh8 s VAL 56 Ca -0.07 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1gh8 s VAL 56 Cb -0.13 -3.92 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 1gh8 s VAL 56 CO -0.02 -0.27 0.05 0.68 -3.33 0.00 0.00 175.10 172.22 1gh8 s VAL 57 N 1.93 1.26 0.00 2.04 -7.23 -0.96 -4.54 120.40 112.91 1gh8 s VAL 57 Ca 0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1gh8 s VAL 57 Cb -0.18 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1gh8 s VAL 57 CO 0.12 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1gh8 n GLY 58 N -0.71 -2.04 0.04 2.32 0.00 -1.26 -1.53 105.19 102.02 1gh8 n GLY 58 Ca -0.02 0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.88 0.14 -3.62 1.61 2.03 -1.26 -4.81 116.55 108.75 1gh8 n ASP 59 Ca 0.00 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.24 1gh8 n ASP 59 Cb 0.00 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.88 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.59 1gh8 n ALA 60 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1gh8 n ALA 60 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -5.00 120.64 114.63 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 0.01 0.00 -1.84 0.00 -1.26 -3.78 105.19 98.32 1gh8 n GLY 62 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.37 -0.93 0.00 -0.02 0.00 -1.26 -2.05 105.19 101.30 1gh8 n GLY 63 Ca 0.01 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.46 0.23 0.24 2.61 -2.24 -1.25 -2.42 114.28 109.99 1gh8 n THR 64 Ca 0.04 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.06 1gh8 n THR 64 Cb 0.15 -0.70 0.86 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.29 -0.78 4.11 -1.75 -0.16 114.58 115.71 1gh8 h GLU 65 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 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 0.27 0.00 0.07 0.00 0.00 179.01 179.35 1gh8 h ALA 66 N 1.62 2.04 0.60 1.06 0.00 -1.81 -1.87 119.26 120.89 1gh8 h ALA 66 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gh8 h ALA 66 Cb 0.60 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1gh8 h ALA 66 CO -0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 179.25 178.54 1gh8 h ALA 67 N 1.73 -0.80 -0.55 0.00 0.00 -1.31 0.87 119.26 119.21 1gh8 h ALA 67 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gh8 h ALA 67 Cb 0.68 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1gh8 h ALA 67 CO -0.00 -0.91 0.36 0.93 0.00 0.00 0.00 179.25 179.63 1gh8 h GLU 68 N -0.88 0.56 0.16 0.00 5.08 -1.55 -0.81 114.58 117.15 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 0.64 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1gh8 h GLU 68 CO 0.13 0.37 -0.08 1.49 -1.00 0.00 0.00 179.01 179.93 1gh8 h GLU 69 N 0.58 -0.21 0.00 2.33 4.81 -0.97 -1.98 114.58 119.14 1gh8 h GLU 69 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1gh8 h GLU 69 Cb 0.18 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1gh8 h GLU 69 CO -0.06 -0.05 0.00 1.03 -0.73 0.00 0.00 179.01 179.20 1gh8 h SER 70 N -0.33 0.00 0.62 1.04 0.87 -0.12 -1.25 113.55 114.39 1gh8 h SER 70 Ca -0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1gh8 h SER 70 Cb 0.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1gh8 h SER 70 CO 0.04 0.00 -0.68 -0.07 -0.53 0.00 0.00 176.83 175.59 1gh8 h LEU 71 N 0.00 0.05 -0.34 2.23 -0.00 -0.41 0.50 115.31 117.34 1gh8 h LEU 71 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1gh8 h LEU 71 Cb 0.15 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1gh8 h LEU 71 CO 0.00 0.71 0.00 -0.24 -0.00 0.00 0.00 178.44 178.91 1gh8 n SER 72 N -3.75 0.19 -0.94 -0.43 2.88 -0.47 -2.85 113.62 108.25 1gh8 n SER 72 Ca -0.01 0.57 -0.01 0.00 -1.33 0.00 0.00 58.87 58.08 1gh8 n SER 72 Cb 0.66 -0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.78 0.74 0.00 0.46 0.00 -1.06 -5.13 105.19 99.43 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 0.17 -4.78 119.36 115.80 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 -1.33 -0.10 0.00 0.54 0.00 0.00 39.64 39.53 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 -0.61 0.52 0.31 9.51 4.71 -1.26 -4.74 120.64 129.07 1gh8 n GLU 75 Ca 0.00 -0.16 0.18 0.00 -0.01 0.00 0.00 57.16 57.16 1gh8 n GLU 75 Cb 0.00 -2.63 0.98 0.00 -1.01 0.00 0.00 31.44 28.78 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 76 N 16.95 0.00 0.67 0.62 0.00 -1.97 -2.37 103.07 116.97 1gh8 h GLY 76 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.86 1gh8 h GLY 76 CO 1.26 0.00 -1.96 -0.24 0.00 0.00 0.00 176.54 175.60 1gh8 h VAL 77 N 0.00 0.68 -3.15 4.60 3.04 -1.95 -3.43 116.25 116.04 1gh8 h VAL 77 Ca -0.00 -2.37 -0.74 0.00 -1.01 0.00 0.00 66.70 62.58 1gh8 h VAL 77 Cb 0.08 2.56 -0.22 0.00 -2.01 0.00 0.00 31.29 31.70 1gh8 h VAL 77 CO 0.00 0.90 0.34 -0.55 -1.01 0.00 0.00 177.57 177.25 1gh8 s SER 78 N -7.09 6.59 0.09 3.17 0.15 -0.89 -0.56 113.70 115.17 1gh8 s SER 78 Ca -0.21 -2.22 -0.30 0.00 0.70 0.00 0.00 55.95 53.92 1gh8 s SER 78 Cb 0.06 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.79 -0.85 1.08 0.21 1.20 0.00 0.00 173.24 175.67 1gh8 s ASN 79 N 2.97 7.27 0.06 5.45 3.04 -0.96 -4.42 114.94 128.35 1gh8 s ASN 79 Ca 0.21 1.92 0.00 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 36.97 1gh8 s ASN 79 CO -0.06 -0.28 0.18 -0.63 -3.04 0.00 0.00 177.10 173.27 1gh8 s ILE 80 N 0.48 5.21 -1.35 -5.21 1.09 -1.26 -2.87 121.20 117.28 1gh8 s ILE 80 Ca 0.52 -0.45 -0.11 0.00 -1.10 0.00 0.00 60.65 59.52 1gh8 s ILE 80 Cb -0.27 -3.53 0.11 0.00 -1.06 0.00 0.00 42.46 37.72 1gh8 s ILE 80 CO 0.31 0.15 2.04 1.21 -0.10 0.00 0.00 174.94 178.55 1gh8 n GLU 81 N 0.38 3.37 -1.22 2.79 2.13 0.14 -4.82 120.64 123.40 1gh8 n GLU 81 Ca -0.06 -3.16 -0.27 0.00 0.66 0.00 0.00 57.16 54.33 1gh8 n GLU 81 Cb 0.51 -3.05 -0.09 0.00 0.27 0.00 0.00 31.44 29.08 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 3.94 3.78 -0.54 6.31 0.31 -1.26 -3.40 118.33 127.47 1gh8 n VAL 82 Ca 0.46 -2.22 0.00 0.00 -0.01 0.00 0.00 64.34 62.56 1gh8 n VAL 82 Cb 0.37 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 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 2.94 0.00 -3.05 2.52 -1.04 -1.26 -5.06 114.28 109.33 1gh8 n THR 83 Ca 0.62 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.05 62.05 1gh8 n THR 83 Cb 0.53 1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 70.53 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 -0.05 7.05 0.12 8.00 -1.08 -1.18 -5.02 116.67 124.50 1gh8 s ASP 84 Ca 0.00 1.25 -0.13 0.00 -0.52 0.00 0.00 52.55 53.15 1gh8 s ASP 84 Cb 0.00 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 39.06 1gh8 s ASP 84 CO 0.00 -0.06 0.34 0.54 0.52 0.00 0.00 175.17 176.51 1gh8 s VAL 85 N 0.45 0.09 -0.44 1.11 0.11 -1.26 -0.61 120.40 119.85 1gh8 s VAL 85 Ca 0.37 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1gh8 s VAL 85 Cb -0.18 -1.28 0.20 0.00 -1.53 0.00 0.00 36.38 33.58 1gh8 s VAL 85 CO 0.19 -0.40 0.52 0.54 -3.33 0.00 0.00 175.10 172.62 1gh8 n ARG 86 N -0.18 0.43 -1.91 1.54 5.12 0.34 -4.89 116.66 117.10 1gh8 n ARG 86 Ca -0.15 -2.79 -0.39 0.00 -1.93 0.00 0.00 57.85 52.59 1gh8 n ARG 86 Cb 0.63 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 1gh8 n ARG 86 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1gh8 n ARG 87 N 2.44 2.32 -2.65 5.56 3.00 -1.26 -0.81 116.66 125.26 1gh8 n ARG 87 Ca 0.23 -2.57 -0.43 0.00 -0.01 0.00 0.00 57.85 55.07 1gh8 n ARG 87 Cb 0.52 -3.37 -0.01 0.00 0.00 0.00 0.00 32.46 29.61 1gh8 n ARG 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1gh8 s LEU 88 N 4.68 4.00 0.00 0.55 1.02 -1.03 -4.98 118.68 122.92 1gh8 s LEU 88 Ca 0.57 -2.28 0.27 0.00 0.02 0.00 0.00 54.13 52.70 1gh8 s LEU 88 Cb 0.08 -2.54 0.74 0.00 0.02 0.00 0.00 46.19 44.48 1gh8 s LEU 88 CO 0.06 -1.18 1.57 0.23 0.02 0.00 0.00 176.35 177.05