#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 3.95 -5.12 0.00 0.25 -4.54 105.19 99.72 1gh8 n GLY 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 6.15 -0.30 1.61 1.11 0.44 -4.73 116.67 120.95 1gh8 s ASP 3 Ca 0.00 0.39 -0.13 0.00 0.18 0.00 0.00 52.55 52.99 1gh8 s ASP 3 Cb 0.00 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.10 1gh8 s ASP 3 CO 0.00 -0.43 0.27 -0.69 1.18 0.00 0.00 175.17 175.50 1gh8 s VAL 4 N -2.39 5.25 -0.25 -1.27 1.01 -0.43 -2.19 120.40 120.13 1gh8 s VAL 4 Ca 0.43 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1gh8 s VAL 4 Cb -0.10 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1gh8 s VAL 4 CO 0.37 0.11 0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1gh8 s VAL 5 N 1.86 3.70 0.39 2.92 1.01 0.14 -1.60 120.40 128.82 1gh8 s VAL 5 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1gh8 s VAL 5 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1gh8 s VAL 5 CO 0.11 0.30 0.59 0.00 0.00 0.00 0.00 175.10 176.11 1gh8 s ALA 6 N 1.50 3.73 -0.03 5.51 0.00 -0.93 0.89 121.76 132.44 1gh8 s ALA 6 Ca 0.05 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1gh8 s ALA 6 Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1gh8 s ALA 6 CO -0.00 -0.15 0.06 0.99 0.00 0.00 0.00 175.76 176.65 1gh8 s THR 7 N -2.40 -0.05 -0.29 0.00 2.01 -0.72 -0.97 115.64 113.21 1gh8 s THR 7 Ca 0.43 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1gh8 s THR 7 Cb -0.10 -0.12 0.08 0.00 0.01 0.00 0.00 72.50 72.37 1gh8 s THR 7 CO 0.37 0.07 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 0.95 2.10 -0.79 1.82 -1.09 -0.41 -3.02 121.20 120.77 1gh8 s ILE 8 Ca -0.08 -1.86 -0.18 0.00 -2.23 0.00 0.00 60.65 56.30 1gh8 s ILE 8 Cb -0.11 -2.37 0.14 0.00 -1.58 0.00 0.00 42.46 38.55 1gh8 s ILE 8 CO -0.03 -0.28 0.90 -0.54 -1.23 0.00 0.00 174.94 173.76 1gh8 s LYS 9 N 1.07 3.42 -0.04 2.79 -0.14 -1.21 0.06 119.74 125.69 1gh8 s LYS 9 Ca -0.00 -1.77 -0.16 0.00 -1.36 0.00 0.00 55.97 52.67 1gh8 s LYS 9 Cb -0.19 -4.57 -0.05 0.00 -1.68 0.00 0.00 37.83 31.34 1gh8 s LYS 9 CO -0.07 -1.58 0.45 0.14 -0.76 0.00 0.00 175.35 173.52 1gh8 s VAL 10 N 2.09 5.06 -0.12 3.17 -7.23 -0.51 0.14 120.40 123.01 1gh8 s VAL 10 Ca 0.22 0.91 -0.05 0.00 -1.81 0.00 0.00 61.98 61.25 1gh8 s VAL 10 Cb -0.12 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.11 1gh8 s VAL 10 CO -0.04 0.48 0.25 0.00 -0.31 0.00 0.00 175.10 175.48 1gh8 s MET 11 N -0.41 0.16 -0.08 4.82 0.23 -1.14 -0.46 119.30 122.43 1gh8 s MET 11 Ca 0.25 0.65 -0.30 0.00 -1.03 0.00 0.00 55.69 55.26 1gh8 s MET 11 Cb -0.16 -0.08 -0.04 0.00 -1.53 0.00 0.00 34.83 33.01 1gh8 s MET 11 CO 0.12 -0.24 1.48 -2.14 -2.03 0.00 0.00 175.02 172.21 1gh8 s PRO 12 N 1.96 4.22 0.50 3.16 0.02 -1.26 -2.09 135.00 141.50 1gh8 s PRO 12 Ca -0.03 1.97 0.19 0.00 0.02 0.00 0.00 61.00 63.15 1gh8 s PRO 12 Cb -0.11 -3.83 1.24 0.00 0.02 0.00 0.00 34.50 31.81 1gh8 s PRO 12 CO -0.08 -0.75 2.03 0.93 -0.33 0.00 0.00 177.00 178.80 1gh8 h GLU 13 N 8.76 0.13 -7.16 5.54 4.39 -1.09 -3.43 114.58 121.74 1gh8 h GLU 13 Ca -0.35 -0.01 -0.47 0.00 0.34 0.00 0.00 59.36 58.87 1gh8 h GLU 13 Cb 1.15 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1gh8 h GLU 13 CO 0.95 0.09 0.37 -1.12 -1.16 0.00 0.00 179.01 178.14 1gh8 s SER 14 N -6.46 6.39 0.00 1.42 0.01 -1.26 -4.93 113.70 108.88 1gh8 s SER 14 Ca -0.06 1.71 0.13 0.00 1.31 0.00 0.00 55.95 59.05 1gh8 s SER 14 Cb 0.19 -2.53 0.74 0.00 0.21 0.00 0.00 66.02 64.63 1gh8 s SER 14 CO 0.72 -0.74 1.29 -0.81 0.41 0.00 0.00 173.24 174.10 1gh8 n PRO 15 N -1.47 0.30 -1.16 12.44 -0.04 -1.26 -3.21 135.00 140.60 1gh8 n PRO 15 Ca 0.08 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 1gh8 n PRO 15 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.15 6.69 -4.26 3.54 8.00 -1.26 -4.88 116.55 123.23 1gh8 n ASP 16 Ca 0.08 -3.24 -0.29 0.00 0.71 0.00 0.00 54.79 52.05 1gh8 n ASP 16 Cb 0.08 -1.10 -0.09 0.00 -0.02 0.00 0.00 41.12 39.99 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 0.28 1.07 -2.05 2.53 0.31 -1.20 -4.87 118.33 114.40 1gh8 n VAL 17 Ca 0.41 -1.06 -0.36 0.00 -0.01 0.00 0.00 64.34 63.32 1gh8 n VAL 17 Cb 0.57 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 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 6.91 5.26 0.12 4.52 1.11 -1.26 -4.82 116.67 128.51 1gh8 s ASP 18 Ca 0.71 0.08 -0.17 0.00 0.18 0.00 0.00 52.55 53.35 1gh8 s ASP 18 Cb 0.03 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 1gh8 s ASP 18 CO 0.18 -2.45 1.67 0.17 1.18 0.00 0.00 175.17 175.92 1gh8 h LEU 19 N 16.68 0.47 -0.59 1.23 8.10 -1.90 0.27 115.31 139.57 1gh8 h LEU 19 Ca -0.18 -0.17 -0.15 0.00 0.11 0.00 0.00 57.88 57.50 1gh8 h LEU 19 Cb 1.12 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 41.21 1gh8 h LEU 19 CO 1.22 0.51 -0.51 -0.08 -4.11 0.00 0.00 178.44 175.47 1gh8 h GLU 20 N 0.41 0.51 -0.49 0.17 4.81 -1.99 0.40 114.58 118.40 1gh8 h GLU 20 Ca 0.11 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 1gh8 h GLU 20 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1gh8 h GLU 20 CO -0.01 0.90 -0.16 0.00 -0.73 0.00 0.00 179.01 179.01 1gh8 h ALA 21 N 1.05 0.79 -0.09 2.92 0.00 -1.93 -2.12 119.26 119.87 1gh8 h ALA 21 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1gh8 h ALA 21 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1gh8 h ALA 21 CO 0.09 0.66 -0.29 1.25 0.00 0.00 0.00 179.25 180.97 1gh8 h LEU 22 N 0.84 0.16 -0.34 0.00 5.85 -0.00 -2.79 115.31 119.02 1gh8 h LEU 22 Ca 0.12 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1gh8 h LEU 22 Cb 0.72 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1gh8 h LEU 22 CO 0.05 0.45 0.04 0.11 -0.34 0.00 0.00 178.44 178.75 1gh8 h LYS 23 N 0.15 0.14 -0.45 1.25 6.56 0.48 0.68 116.57 125.37 1gh8 h LYS 23 Ca 0.02 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 1gh8 h LYS 23 Cb 0.59 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1gh8 h LYS 23 CO 0.04 0.09 -0.20 1.57 -2.06 0.00 0.00 179.45 178.90 1gh8 h LYS 24 N 0.15 0.93 -0.00 3.15 2.10 -1.38 -2.73 116.57 118.79 1gh8 h LYS 24 Ca 0.16 -0.40 -0.05 0.00 -2.00 0.00 0.00 60.65 58.36 1gh8 h LYS 24 Cb 0.20 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 1gh8 h LYS 24 CO -0.23 1.06 -0.24 0.93 -2.00 0.00 0.00 179.45 178.97 1gh8 h GLU 25 N 0.77 0.00 -0.30 0.07 4.39 -1.13 -2.67 114.58 115.72 1gh8 h GLU 25 Ca 0.10 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1gh8 h GLU 25 Cb 0.77 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1gh8 h GLU 25 CO 0.06 0.24 0.14 0.82 -1.16 0.00 0.00 179.01 179.11 1gh8 h ILE 26 N 0.00 1.16 -0.59 3.13 2.04 0.65 -1.77 117.51 122.14 1gh8 h ILE 26 Ca -0.00 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1gh8 h ILE 26 Cb 0.42 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1gh8 h ILE 26 CO 0.03 0.17 0.33 1.56 0.00 0.00 0.00 178.15 180.24 1gh8 h GLN 27 N 0.35 0.80 0.00 2.37 1.08 -1.31 -1.72 115.11 116.69 1gh8 h GLN 27 Ca 0.10 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1gh8 h GLN 27 Cb 0.14 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1gh8 h GLN 27 CO -0.01 0.58 -0.20 1.05 -0.95 0.00 0.00 178.83 179.30 1gh8 h GLU 28 N 0.81 0.00 -0.00 1.46 4.11 -1.38 -3.11 114.58 116.48 1gh8 h GLU 28 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1gh8 h GLU 28 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gh8 h GLU 28 CO -0.04 0.20 -0.44 2.89 0.07 0.00 0.00 179.01 181.70 1gh8 n ARG 29 N -3.20 0.13 -1.73 1.06 1.85 -0.69 -4.93 116.66 109.16 1gh8 n ARG 29 Ca 0.02 -0.07 -0.42 0.00 -1.00 0.00 0.00 57.85 56.38 1gh8 n ARG 29 Cb 0.55 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.37 1.78 -1.63 8.89 2.08 -0.72 -4.81 119.36 123.57 1gh8 n ILE 30 Ca 0.07 -0.44 -0.53 0.00 0.56 0.00 0.00 62.75 62.40 1gh8 n ILE 30 Cb 0.34 -1.78 -0.06 0.00 -0.75 0.00 0.00 39.64 37.38 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 0.85 1.44 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.58 1gh8 n PRO 31 Ca 0.04 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1gh8 n PRO 31 Cb 0.37 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 6.57 0.00 -0.04 0.54 1.02 -1.26 -3.06 120.64 124.40 1gh8 n GLU 32 Ca 0.30 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1gh8 n GLU 32 Cb 0.20 -1.41 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.00 0.00 0.62 0.00 -1.82 -3.48 103.07 98.40 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 -4.06 0.00 -4.26 4.70 -1.04 -1.17 -4.81 114.28 103.64 1gh8 n THR 34 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 1gh8 n THR 34 Cb 0.06 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.47 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 4.93 1.20 0.66 -2.82 2.02 -1.26 -4.89 118.70 118.54 1gh8 s GLU 35 Ca 0.00 -1.60 -0.11 0.00 0.02 0.00 0.00 54.97 53.28 1gh8 s GLU 35 Cb 0.00 -0.25 0.16 0.00 0.10 0.00 0.00 34.13 34.14 1gh8 s GLU 35 CO 0.00 -0.19 0.75 1.47 0.02 0.00 0.00 175.26 177.31 1gh8 n LEU 36 N -0.31 0.00 0.00 1.80 -0.00 -1.26 -2.77 117.00 114.47 1gh8 n LEU 36 Ca -0.04 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 1gh8 n LEU 36 Cb 0.64 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1gh8 n LEU 36 CO 0.35 -1.36 0.00 1.57 -0.00 0.00 0.00 177.39 177.95 1gh8 n HIS 37 N -3.48 0.00 -3.63 1.47 -0.00 0.20 -3.32 115.22 106.46 1gh8 n HIS 37 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.70 1gh8 n HIS 37 Cb 0.35 0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.30 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 -0.09 0.74 0.51 1.57 -0.14 -1.23 -4.97 119.74 116.13 1gh8 s LYS 38 Ca 0.00 0.96 -0.00 0.00 -1.36 0.00 0.00 55.97 55.57 1gh8 s LYS 38 Cb 0.00 0.32 0.01 0.00 -1.68 0.00 0.00 37.83 36.48 1gh8 s LYS 38 CO 0.00 -0.10 0.75 0.42 -0.76 0.00 0.00 175.35 175.66 1gh8 s ILE 39 N 0.62 3.43 -0.09 2.17 -1.09 -1.25 -1.98 121.20 123.00 1gh8 s ILE 39 Ca -0.02 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1gh8 s ILE 39 Cb -0.05 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1gh8 s ILE 39 CO -0.05 -0.22 -0.08 -0.62 -1.23 0.00 0.00 174.94 172.74 1gh8 s ASP 40 N -4.31 1.95 -1.39 3.58 -1.08 -0.75 -4.82 116.67 109.85 1gh8 s ASP 40 Ca 0.53 -0.28 -0.11 0.00 -0.52 0.00 0.00 52.55 52.17 1gh8 s ASP 40 Cb -0.10 -0.79 0.08 0.00 -1.46 0.00 0.00 42.92 40.66 1gh8 s ASP 40 CO 0.39 -0.08 2.20 -0.62 0.52 0.00 0.00 175.17 177.58 1gh8 n GLU 41 N 4.61 3.46 -3.55 4.34 1.02 -1.26 -1.03 120.64 128.22 1gh8 n GLU 41 Ca -0.16 -3.01 -0.37 0.00 -0.02 0.00 0.00 57.16 53.60 1gh8 n GLU 41 Cb 0.50 -3.01 -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 1.46 4.08 0.40 3.49 2.02 -0.47 -4.92 118.70 124.77 1gh8 s GLU 42 Ca 0.48 0.19 -0.09 0.00 0.02 0.00 0.00 54.97 55.56 1gh8 s GLU 42 Cb 0.13 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 1gh8 s GLU 42 CO -0.05 0.42 0.75 -1.25 0.02 0.00 0.00 175.26 175.14 1gh8 s PRO 43 N -0.11 3.72 0.00 0.39 0.04 -1.26 0.16 135.00 137.94 1gh8 s PRO 43 Ca 0.19 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1gh8 s PRO 43 Cb -0.14 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1gh8 s PRO 43 CO 0.07 -0.03 0.00 -0.89 0.04 0.00 0.00 177.00 176.19 1gh8 n ILE 44 N -1.42 0.00 0.00 0.56 2.08 0.21 -4.75 119.36 116.05 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 -0.28 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 -1.51 0.00 0.14 -1.39 0.00 -1.13 -4.88 120.51 111.74 1gh8 n ALA 45 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gh8 n ALA 45 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.04 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.53 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 0.59 0.00 0.41 -0.60 0.00 0.00 178.31 178.71 1gh8 n GLY 47 N 0.17 -0.05 3.42 -1.45 0.00 -1.26 -5.05 105.19 100.97 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 4.86 -0.15 0.99 1.43 -1.26 -4.88 118.68 119.66 1gh8 s LEU 48 Ca 0.00 -1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1gh8 s LEU 48 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1gh8 s LEU 48 CO 0.00 -1.23 0.44 -0.69 0.23 0.00 0.00 176.35 175.09 1gh8 s VAL 49 N 3.32 5.20 0.02 -1.59 1.01 -1.26 -0.62 120.40 126.49 1gh8 s VAL 49 Ca 0.17 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 1gh8 s VAL 49 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1gh8 s VAL 49 CO 0.09 0.31 0.34 0.00 0.00 0.00 0.00 175.10 175.84 1gh8 s ALA 50 N 0.84 3.76 -0.28 5.51 0.00 0.41 -4.74 121.76 127.27 1gh8 s ALA 50 Ca 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 1gh8 s ALA 50 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1gh8 s ALA 50 CO 0.09 0.57 0.17 -0.51 0.00 0.00 0.00 175.76 176.07 1gh8 s LEU 51 N -1.54 3.93 -0.73 0.00 1.02 0.39 -1.36 118.68 120.39 1gh8 s LEU 51 Ca 0.27 -0.11 -0.20 0.00 0.02 0.00 0.00 54.13 54.12 1gh8 s LEU 51 Cb -0.14 -2.07 0.11 0.00 0.02 0.00 0.00 46.19 44.11 1gh8 s LEU 51 CO 0.15 -0.07 0.91 0.20 0.02 0.00 0.00 176.35 177.56 1gh8 s ASN 52 N 1.72 6.36 -0.62 2.29 0.02 -0.20 -1.43 114.94 123.08 1gh8 s ASN 52 Ca 0.07 -1.59 -0.25 0.00 -1.02 0.00 0.00 52.86 50.07 1gh8 s ASN 52 Cb -0.16 -2.36 0.04 0.00 0.02 0.00 0.00 41.25 38.80 1gh8 s ASN 52 CO 0.09 -1.15 1.06 -0.69 0.02 0.00 0.00 177.10 176.43 1gh8 s VAL 53 N 2.88 4.18 0.53 1.60 1.01 0.11 -1.81 120.40 128.90 1gh8 s VAL 53 Ca 0.21 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1gh8 s VAL 53 Cb -0.15 -4.69 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 1gh8 s VAL 53 CO 0.01 -1.39 0.85 -0.04 0.00 0.00 0.00 175.10 174.53 1gh8 s MET 54 N 4.50 3.34 -0.01 2.72 -1.94 -0.84 -1.28 119.30 125.79 1gh8 s MET 54 Ca 0.31 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 1gh8 s MET 54 Cb -0.12 -2.31 0.01 0.00 2.01 0.00 0.00 34.83 34.42 1gh8 s MET 54 CO 0.17 -0.41 0.01 0.14 -0.01 0.00 0.00 175.02 174.92 1gh8 s VAL 55 N -2.87 0.04 -0.34 -6.03 -7.23 -0.15 0.61 120.40 104.45 1gh8 s VAL 55 Ca 0.50 0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 1gh8 s VAL 55 Cb -0.10 -0.10 -0.01 0.00 0.56 0.00 0.00 36.38 36.72 1gh8 s VAL 55 CO 0.46 0.06 0.45 -0.69 -0.31 0.00 0.00 175.10 175.07 1gh8 s VAL 56 N 0.50 5.09 0.08 1.32 1.01 -1.11 -2.19 120.40 125.10 1gh8 s VAL 56 Ca -0.04 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1gh8 s VAL 56 Cb -0.07 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1gh8 s VAL 56 CO -0.01 -0.12 -0.14 0.68 0.00 0.00 0.00 175.10 175.50 1gh8 s VAL 57 N 2.22 1.17 0.00 2.92 -7.23 -0.62 -4.23 120.40 114.63 1gh8 s VAL 57 Ca 0.16 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1gh8 s VAL 57 Cb -0.16 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1gh8 s VAL 57 CO 0.12 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1gh8 n GLY 58 N 1.10 -2.06 0.05 2.32 0.00 -1.26 -1.31 105.19 104.02 1gh8 n GLY 58 Ca -0.20 0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.49 0.17 -2.91 1.61 2.03 -1.26 -4.80 116.55 109.90 1gh8 n ASP 59 Ca 0.00 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1gh8 n ASP 59 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.04 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.43 1gh8 n ALA 60 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1gh8 n ALA 60 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.06 0.00 0.28 -1.26 -5.01 120.64 114.59 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 0.03 0.00 1.43 0.00 0.00 31.44 32.90 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 0.61 0.00 -1.84 0.00 -1.26 -3.89 105.19 98.80 1gh8 n GLY 62 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.29 -0.75 0.00 -0.02 0.00 -1.26 -2.25 105.19 101.20 1gh8 n GLY 63 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.26 0.20 0.24 2.61 -2.24 -1.25 -2.76 114.28 109.82 1gh8 n THR 64 Ca 0.07 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1gh8 n THR 64 Cb 0.11 -0.68 0.86 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 -0.21 -0.78 4.11 -1.80 0.02 114.58 115.92 1gh8 h GLU 65 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 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 0.19 0.00 0.07 0.00 0.00 179.01 179.27 1gh8 h ALA 66 N 1.59 1.97 0.49 1.06 0.00 -1.83 -2.16 119.26 120.39 1gh8 h ALA 66 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gh8 h ALA 66 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gh8 h ALA 66 CO -0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 179.25 178.72 1gh8 h ALA 67 N 1.82 -0.66 -0.69 0.00 0.00 -1.28 0.76 119.26 119.22 1gh8 h ALA 67 Ca 0.10 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1gh8 h ALA 67 Cb 0.47 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1gh8 h ALA 67 CO -0.00 -0.84 0.45 0.93 0.00 0.00 0.00 179.25 179.79 1gh8 h GLU 68 N -0.71 0.74 0.10 0.00 5.08 -1.59 -0.60 114.58 117.60 1gh8 h GLU 68 Ca -0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gh8 h GLU 68 Cb 0.53 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1gh8 h GLU 68 CO 0.11 0.49 -0.05 1.49 -1.00 0.00 0.00 179.01 180.05 1gh8 h GLU 69 N 0.76 -0.13 0.00 2.33 4.81 -1.03 -1.73 114.58 119.59 1gh8 h GLU 69 Ca 0.29 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1gh8 h GLU 69 Cb 0.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1gh8 h GLU 69 CO -0.09 -0.02 0.00 0.66 -0.73 0.00 0.00 179.01 178.83 1gh8 h SER 70 N -0.20 0.00 0.70 1.04 4.64 -0.13 -1.42 113.55 118.18 1gh8 h SER 70 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1gh8 h SER 70 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1gh8 h SER 70 CO 0.02 0.00 -0.64 -0.07 -0.87 0.00 0.00 176.83 175.28 1gh8 h LEU 71 N 0.00 0.00 -0.51 5.97 -0.00 -0.22 0.50 115.31 121.05 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1gh8 h LEU 71 CO 0.00 0.64 0.00 -1.54 -0.00 0.00 0.00 178.44 177.54 1gh8 n SER 72 N -3.72 0.26 -0.92 -0.43 3.41 -0.53 -2.71 113.62 108.98 1gh8 n SER 72 Ca -0.01 0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1gh8 n SER 72 Cb 0.64 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gh8 n GLY 73 N -0.89 0.75 0.00 5.00 0.00 -1.04 -5.13 105.19 103.88 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 -1.52 -0.61 3.06 0.17 -4.79 119.36 115.80 1gh8 n ILE 74 Ca -0.08 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.78 1gh8 n ILE 74 Cb 0.77 -1.35 -0.09 0.00 0.54 0.00 0.00 39.64 39.51 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 -0.57 0.58 0.13 9.51 4.71 -1.26 -4.78 120.64 128.95 1gh8 n GLU 75 Ca 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 57.16 57.18 1gh8 n GLU 75 Cb 0.00 -2.51 0.34 0.00 -1.01 0.00 0.00 31.44 28.27 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 15.70 0.18 1.11 0.62 0.00 -1.97 -3.01 103.07 115.70 1gh8 h GLY 76 Ca -0.16 -0.13 -0.31 0.00 0.00 0.00 0.00 47.33 46.73 1gh8 h GLY 76 CO 1.25 0.12 -1.62 -2.08 0.00 0.00 0.00 176.54 174.21 1gh8 h VAL 77 N 0.15 1.04 -3.24 4.60 2.07 -1.95 -3.41 116.25 115.51 1gh8 h VAL 77 Ca 0.02 -2.71 -0.75 0.00 0.82 0.00 0.00 66.70 64.08 1gh8 h VAL 77 Cb 0.56 2.68 -0.23 0.00 -1.52 0.00 0.00 31.29 32.79 1gh8 h VAL 77 CO 0.04 0.79 0.38 -0.55 0.02 0.00 0.00 177.57 178.25 1gh8 s SER 78 N -6.89 6.69 0.10 0.57 0.15 -1.14 -0.38 113.70 112.80 1gh8 s SER 78 Ca -0.11 -2.39 -0.30 0.00 0.70 0.00 0.00 55.95 53.85 1gh8 s SER 78 Cb 0.07 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.84 -0.78 1.06 0.21 1.20 0.00 0.00 173.24 175.77 1gh8 s ASN 79 N 2.79 7.31 0.04 5.45 3.04 -0.89 -4.45 114.94 128.24 1gh8 s ASN 79 Ca 0.23 1.92 0.00 0.00 0.04 0.00 0.00 52.86 55.05 1gh8 s ASN 79 Cb -0.09 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1gh8 s ASN 79 CO -0.08 -0.24 0.16 -0.63 -3.04 0.00 0.00 177.10 173.27 1gh8 s ILE 80 N 0.33 5.16 -1.34 -5.21 1.09 -1.26 -2.86 121.20 117.11 1gh8 s ILE 80 Ca 0.51 -0.42 -0.12 0.00 -1.10 0.00 0.00 60.65 59.52 1gh8 s ILE 80 Cb -0.26 -3.47 0.12 0.00 -1.06 0.00 0.00 42.46 37.78 1gh8 s ILE 80 CO 0.31 0.20 1.95 1.21 -0.10 0.00 0.00 174.94 178.51 1gh8 n GLU 81 N 0.55 3.33 -1.00 2.79 4.07 0.12 -4.82 120.64 125.67 1gh8 n GLU 81 Ca -0.08 -3.23 -0.13 0.00 -0.06 0.00 0.00 57.16 53.67 1gh8 n GLU 81 Cb 0.52 -3.09 -0.17 0.00 -0.06 0.00 0.00 31.44 28.65 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 4.18 3.01 -0.66 6.31 0.31 -1.26 -3.34 118.33 126.88 1gh8 n VAL 82 Ca 0.44 -1.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.26 1gh8 n VAL 82 Cb 0.38 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 2.53 0.25 -3.01 2.52 -1.04 -1.26 -5.06 114.28 109.21 1gh8 n THR 83 Ca 0.44 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.05 61.77 1gh8 n THR 83 Cb 0.89 1.06 -0.06 0.00 -1.82 0.00 0.00 70.33 70.41 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 -0.25 7.23 0.06 8.00 1.11 -1.17 -5.03 116.67 126.64 1gh8 s ASP 84 Ca 0.00 1.57 -0.10 0.00 0.18 0.00 0.00 52.55 54.20 1gh8 s ASP 84 Cb 0.00 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.52 1gh8 s ASP 84 CO 0.00 0.10 0.22 0.54 1.18 0.00 0.00 175.17 177.20 1gh8 s VAL 85 N -1.37 0.12 -0.25 -1.27 0.11 -1.26 -1.76 120.40 114.71 1gh8 s VAL 85 Ca 0.41 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1gh8 s VAL 85 Cb -0.20 -1.09 0.11 0.00 -1.53 0.00 0.00 36.38 33.67 1gh8 s VAL 85 CO 0.23 -0.53 0.24 -0.13 -3.33 0.00 0.00 175.10 171.58 1gh8 s ARG 86 N -3.11 0.24 -1.17 1.54 1.81 0.26 -4.88 118.95 113.63 1gh8 s ARG 86 Ca -0.01 -0.01 -0.18 0.00 -1.72 0.00 0.00 55.73 53.81 1gh8 s ARG 86 Cb 0.01 -0.99 0.10 0.00 -0.45 0.00 0.00 34.95 33.62 1gh8 s ARG 86 CO -0.07 -0.84 1.52 1.03 -0.68 0.00 0.00 175.30 176.26 1gh8 s ARG 87 N 2.31 3.88 -1.14 3.54 1.81 -1.26 -0.68 118.95 127.41 1gh8 s ARG 87 Ca 0.08 -1.92 -0.20 0.00 -1.72 0.00 0.00 55.73 51.97 1gh8 s ARG 87 Cb -0.15 -5.30 0.07 0.00 -0.45 0.00 0.00 34.95 29.12 1gh8 s ARG 87 CO -0.23 -2.06 1.55 -0.51 -0.68 0.00 0.00 175.30 173.37 1gh8 s LEU 88 N 3.52 3.84 0.00 2.53 1.02 -0.93 -5.01 118.68 123.65 1gh8 s LEU 88 Ca 0.47 -2.00 0.27 0.00 0.02 0.00 0.00 54.13 52.89 1gh8 s LEU 88 Cb 0.00 -2.55 0.83 0.00 0.02 0.00 0.00 46.19 44.49 1gh8 s LEU 88 CO -0.00 -1.29 1.62 0.23 0.02 0.00 0.00 176.35 176.93