#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 3.91 3.17 0.00 0.16 -4.76 105.19 107.67 1gh8 n GLY 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 6.32 -0.30 1.61 1.01 -0.36 -4.82 116.67 120.13 1gh8 s ASP 3 Ca 0.00 0.78 -0.08 0.00 0.71 0.00 0.00 52.55 53.96 1gh8 s ASP 3 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1gh8 s ASP 3 CO 0.00 -0.42 0.11 -0.69 0.21 0.00 0.00 175.17 174.38 1gh8 s VAL 4 N -2.48 4.22 -0.38 -1.27 1.01 0.39 0.06 120.40 121.94 1gh8 s VAL 4 Ca 0.45 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1gh8 s VAL 4 Cb -0.10 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1gh8 s VAL 4 CO 0.39 0.08 0.20 -0.69 0.00 0.00 0.00 175.10 175.08 1gh8 s VAL 5 N 1.55 4.31 0.43 2.92 1.01 0.75 -1.91 120.40 129.46 1gh8 s VAL 5 Ca 0.03 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1gh8 s VAL 5 Cb -0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1gh8 s VAL 5 CO 0.04 -0.29 0.63 0.00 0.00 0.00 0.00 175.10 175.47 1gh8 s ALA 6 N 1.49 3.90 -0.05 5.51 0.00 -0.96 0.58 121.76 132.23 1gh8 s ALA 6 Ca 0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1gh8 s ALA 6 Cb -0.20 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1gh8 s ALA 6 CO 0.05 -0.32 0.10 0.99 0.00 0.00 0.00 175.76 176.58 1gh8 s THR 7 N -2.47 -0.07 -0.29 0.00 2.01 -0.29 -1.02 115.64 113.50 1gh8 s THR 7 Ca 0.48 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.73 1gh8 s THR 7 Cb -0.10 -0.18 0.08 0.00 0.01 0.00 0.00 72.50 72.30 1gh8 s THR 7 CO 0.36 0.09 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 1gh8 s ILE 8 N 1.25 2.14 -0.78 1.82 -1.09 -0.72 -3.10 121.20 120.71 1gh8 s ILE 8 Ca -0.08 -1.90 -0.18 0.00 -2.23 0.00 0.00 60.65 56.27 1gh8 s ILE 8 Cb -0.12 -2.40 0.14 0.00 -1.58 0.00 0.00 42.46 38.51 1gh8 s ILE 8 CO -0.05 -0.29 0.88 -0.54 -1.23 0.00 0.00 174.94 173.72 1gh8 s LYS 9 N 1.05 3.40 -0.02 2.79 -0.14 -1.21 -0.10 119.74 125.51 1gh8 s LYS 9 Ca -0.00 -1.78 -0.15 0.00 -1.36 0.00 0.00 55.97 52.68 1gh8 s LYS 9 Cb -0.19 -4.54 -0.05 0.00 -1.68 0.00 0.00 37.83 31.36 1gh8 s LYS 9 CO -0.07 -1.56 0.40 0.14 -0.76 0.00 0.00 175.35 173.49 1gh8 s VAL 10 N 2.02 5.07 -0.11 3.17 -7.23 -0.56 0.48 120.40 123.24 1gh8 s VAL 10 Ca 0.21 0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 61.14 1gh8 s VAL 10 Cb -0.13 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.16 1gh8 s VAL 10 CO -0.04 0.56 0.24 0.00 -0.31 0.00 0.00 175.10 175.55 1gh8 s MET 11 N -0.89 0.15 0.05 4.82 0.23 -1.14 -0.03 119.30 122.49 1gh8 s MET 11 Ca 0.23 0.65 -0.31 0.00 -1.03 0.00 0.00 55.69 55.23 1gh8 s MET 11 Cb -0.16 -0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 32.97 1gh8 s MET 11 CO 0.12 -0.25 1.51 -2.14 -2.03 0.00 0.00 175.02 172.24 1gh8 s PRO 12 N 2.02 4.25 0.46 3.16 0.02 -1.26 -2.02 135.00 141.62 1gh8 s PRO 12 Ca -0.02 2.15 0.15 0.00 0.02 0.00 0.00 61.00 63.30 1gh8 s PRO 12 Cb -0.12 -3.52 1.10 0.00 0.02 0.00 0.00 34.50 31.99 1gh8 s PRO 12 CO -0.08 -0.63 2.03 0.93 -0.33 0.00 0.00 177.00 178.92 1gh8 h GLU 13 N 7.86 0.29 -7.07 5.54 5.08 -0.98 -3.43 114.58 121.86 1gh8 h GLU 13 Ca -0.41 -0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.48 1gh8 h GLU 13 Cb 1.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1gh8 h GLU 13 CO 0.91 0.19 0.36 -1.12 -1.00 0.00 0.00 179.01 178.35 1gh8 s SER 14 N -6.46 6.66 0.00 1.42 0.01 -1.26 -4.93 113.70 109.14 1gh8 s SER 14 Ca -0.07 1.79 0.12 0.00 1.31 0.00 0.00 55.95 59.11 1gh8 s SER 14 Cb 0.19 -2.55 0.64 0.00 0.21 0.00 0.00 66.02 64.51 1gh8 s SER 14 CO 0.73 -0.56 1.27 -0.81 0.41 0.00 0.00 173.24 174.28 1gh8 n PRO 15 N -0.81 0.21 -1.31 12.44 -0.04 -1.26 -3.13 135.00 141.10 1gh8 n PRO 15 Ca 0.08 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 1gh8 n PRO 15 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.23 6.64 -4.48 3.54 5.68 -1.26 -4.86 116.55 120.57 1gh8 n ASP 16 Ca 0.06 -3.24 -0.22 0.00 -0.50 0.00 0.00 54.79 50.89 1gh8 n ASP 16 Cb 0.09 -1.15 -0.10 0.00 -1.14 0.00 0.00 41.12 38.82 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1gh8 n VAL 17 N 0.48 0.77 -2.12 2.12 0.31 -1.19 -4.86 118.33 113.84 1gh8 n VAL 17 Ca 0.44 -0.79 -0.33 0.00 -0.01 0.00 0.00 64.34 63.65 1gh8 n VAL 17 Cb 0.55 -2.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 1gh8 n VAL 17 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1gh8 s ASP 18 N 7.57 5.37 0.18 4.52 1.47 -1.26 -4.82 116.67 129.70 1gh8 s ASP 18 Ca 0.75 -0.40 -0.11 0.00 1.18 0.00 0.00 52.55 53.97 1gh8 s ASP 18 Cb -0.01 -2.55 0.08 0.00 -0.34 0.00 0.00 42.92 40.09 1gh8 s ASP 18 CO 0.18 -2.46 1.70 0.17 0.68 0.00 0.00 175.17 175.44 1gh8 h LEU 19 N 16.64 0.93 -0.63 2.11 8.10 -1.90 0.24 115.31 140.80 1gh8 h LEU 19 Ca -0.03 -0.22 -0.12 0.00 0.11 0.00 0.00 57.88 57.61 1gh8 h LEU 19 Cb 1.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1gh8 h LEU 19 CO 1.24 0.91 -0.24 -0.08 -4.11 0.00 0.00 178.44 176.16 1gh8 h GLU 20 N 0.90 0.83 -0.27 0.17 4.57 -1.99 0.20 114.58 118.99 1gh8 h GLU 20 Ca 0.20 -0.35 -0.17 0.00 -1.18 0.00 0.00 59.36 57.86 1gh8 h GLU 20 Cb 0.33 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1gh8 h GLU 20 CO -0.00 0.98 -0.51 0.00 -1.18 0.00 0.00 179.01 178.29 1gh8 h ALA 21 N 1.01 0.58 0.00 2.92 0.00 -1.92 -2.78 119.26 119.06 1gh8 h ALA 21 Ca 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gh8 h ALA 21 CO 0.06 0.68 -0.24 1.25 0.00 0.00 0.00 179.25 181.01 1gh8 h LEU 22 N 0.60 0.00 -0.38 0.00 6.46 -0.09 -2.88 115.31 119.02 1gh8 h LEU 22 Ca 0.02 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1gh8 h LEU 22 Cb 1.10 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1gh8 h LEU 22 CO 0.11 0.24 0.22 0.11 -0.62 0.00 0.00 178.44 178.49 1gh8 h LYS 23 N 0.00 0.43 -0.68 1.25 1.57 -0.32 0.17 116.57 118.98 1gh8 h LYS 23 Ca -0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1gh8 h LYS 23 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1gh8 h LYS 23 CO 0.03 0.29 0.22 0.87 -0.57 0.00 0.00 179.45 180.29 1gh8 h LYS 24 N 0.44 1.06 -0.57 3.15 1.57 -1.51 -2.42 116.57 118.28 1gh8 h LYS 24 Ca 0.15 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1gh8 h LYS 24 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1gh8 h LYS 24 CO -0.08 0.91 0.06 1.05 -0.57 0.00 0.00 179.45 180.82 1gh8 h GLU 25 N 1.00 0.95 -0.93 3.15 4.11 -1.40 -2.91 114.58 118.54 1gh8 h GLU 25 Ca 0.22 -0.25 0.03 0.00 0.07 0.00 0.00 59.36 59.43 1gh8 h GLU 25 Cb 0.29 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1gh8 h GLU 25 CO -0.01 0.90 0.60 0.82 0.07 0.00 0.00 179.01 181.39 1gh8 h ILE 26 N 0.89 1.17 -0.59 -1.06 2.04 -0.20 0.10 117.51 119.85 1gh8 h ILE 26 Ca 0.18 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1gh8 h ILE 26 Cb 0.44 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1gh8 h ILE 26 CO 0.01 0.21 0.23 1.56 0.00 0.00 0.00 178.15 180.17 1gh8 h GLN 27 N 1.18 0.86 0.00 2.37 4.20 -1.27 -1.80 115.11 120.65 1gh8 h GLN 27 Ca 0.37 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1gh8 h GLN 27 Cb -0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1gh8 h GLN 27 CO -0.11 0.71 -0.30 0.93 -0.67 0.00 0.00 178.83 179.39 1gh8 h GLU 28 N 0.85 0.00 0.00 1.46 4.39 -1.10 -3.13 114.58 117.04 1gh8 h GLU 28 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1gh8 h GLU 28 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1gh8 h GLU 28 CO -0.02 0.30 -0.52 2.89 -1.16 0.00 0.00 179.01 180.50 1gh8 n ARG 29 N -3.28 0.12 -1.73 2.33 1.85 0.22 -4.92 116.66 111.25 1gh8 n ARG 29 Ca 0.01 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.47 1gh8 n ARG 29 Cb 0.56 -1.57 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.74 1.32 -1.68 8.89 2.08 -0.73 -4.77 119.36 122.73 1gh8 n ILE 30 Ca 0.05 -0.33 -0.60 0.00 0.56 0.00 0.00 62.75 62.43 1gh8 n ILE 30 Cb 0.38 -1.81 -0.08 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 1.60 0.74 0.00 0.38 -0.04 -1.26 -4.76 135.00 131.65 1gh8 n PRO 31 Ca 0.07 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1gh8 n PRO 31 Cb 0.36 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 4.19 0.00 -0.06 0.54 -0.58 -1.26 -2.51 120.64 120.96 1gh8 n GLU 32 Ca 0.26 0.25 -0.04 0.00 -0.42 0.00 0.00 57.16 57.21 1gh8 n GLU 32 Cb 0.08 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 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 -1.77 -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 -4.70 0.00 -4.33 4.70 -1.04 -1.05 -4.85 114.28 103.01 1gh8 n THR 34 Ca -0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.77 1gh8 n THR 34 Cb 0.16 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.58 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 3.37 1.64 0.63 -2.82 2.02 -1.26 -4.70 118.70 117.57 1gh8 s GLU 35 Ca 0.00 -1.95 -0.11 0.00 0.02 0.00 0.00 54.97 52.94 1gh8 s GLU 35 Cb 0.00 0.00 0.15 0.00 0.10 0.00 0.00 34.13 34.38 1gh8 s GLU 35 CO 0.00 -0.51 0.67 1.47 0.02 0.00 0.00 175.26 176.91 1gh8 n LEU 36 N -0.60 0.00 0.00 1.80 -0.00 -1.26 -3.52 117.00 113.42 1gh8 n LEU 36 Ca 0.02 -0.72 0.00 0.00 -0.00 0.00 0.00 56.01 55.31 1gh8 n LEU 36 Cb 0.64 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1gh8 n LEU 36 CO 0.34 -1.38 0.00 1.57 -0.00 0.00 0.00 177.39 177.92 1gh8 n HIS 37 N -3.47 0.00 -3.63 1.47 -0.00 0.25 -3.34 115.22 106.50 1gh8 n HIS 37 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1gh8 n HIS 37 Cb 0.33 0.22 -0.06 0.00 -0.00 0.00 0.00 29.99 30.47 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 -0.79 0.56 0.27 1.57 2.47 -1.23 -4.95 119.74 117.64 1gh8 s LYS 38 Ca 0.00 1.02 -0.03 0.00 -1.56 0.00 0.00 55.97 55.40 1gh8 s LYS 38 Cb 0.00 0.20 -0.05 0.00 -1.46 0.00 0.00 37.83 36.52 1gh8 s LYS 38 CO 0.00 -0.13 0.51 0.42 0.16 0.00 0.00 175.35 176.32 1gh8 s ILE 39 N 1.69 5.08 -0.17 5.43 1.01 -1.25 -2.26 121.20 130.72 1gh8 s ILE 39 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1gh8 s ILE 39 Cb -0.05 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1gh8 s ILE 39 CO -0.18 -0.31 -0.20 -0.62 0.00 0.00 0.00 174.94 173.64 1gh8 s ASP 40 N -3.25 3.21 -1.36 3.58 2.15 -0.52 -4.84 116.67 115.64 1gh8 s ASP 40 Ca 0.42 -0.62 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 1gh8 s ASP 40 Cb -0.11 -1.49 0.11 0.00 -0.30 0.00 0.00 42.92 41.13 1gh8 s ASP 40 CO 0.30 0.02 2.13 -0.62 -0.17 0.00 0.00 175.17 176.84 1gh8 n GLU 41 N 4.45 3.57 -3.82 4.34 1.02 -1.26 -0.88 120.64 128.06 1gh8 n GLU 41 Ca -0.20 -3.16 -0.32 0.00 -0.02 0.00 0.00 57.16 53.45 1gh8 n GLU 41 Cb 0.51 -2.97 -0.04 0.00 -0.02 0.00 0.00 31.44 28.91 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 1.05 3.51 0.32 3.49 8.01 -0.25 -4.91 118.70 129.91 1gh8 s GLU 42 Ca 0.46 -0.28 -0.02 0.00 0.01 0.00 0.00 54.97 55.15 1gh8 s GLU 42 Cb 0.13 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.91 1gh8 s GLU 42 CO -0.04 0.58 0.55 -1.25 0.01 0.00 0.00 175.26 175.11 1gh8 s PRO 43 N -2.40 3.54 0.00 0.39 0.04 -1.26 0.22 135.00 135.52 1gh8 s PRO 43 Ca 0.35 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1gh8 s PRO 43 Cb -0.13 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1gh8 s PRO 43 CO 0.24 0.17 0.00 -0.89 0.04 0.00 0.00 177.00 176.56 1gh8 n ILE 44 N -1.45 0.00 0.00 0.56 2.08 0.19 -4.71 119.36 116.02 1gh8 n ILE 44 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1gh8 n ILE 44 Cb 0.55 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 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 -1.49 0.00 0.10 -1.39 0.00 -1.13 -4.88 120.51 111.72 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 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1gh8 n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gh8 h PHE 46 N 0.00 0.21 0.00 0.00 -0.00 -2.03 -3.38 116.94 111.73 1gh8 h PHE 46 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.97 57.89 1gh8 h PHE 46 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 35.91 1gh8 h PHE 46 CO 0.00 0.70 0.00 0.41 -0.00 0.00 0.00 178.31 179.42 1gh8 n GLY 47 N 0.17 -0.28 3.43 6.09 0.00 -1.26 -5.05 105.19 108.28 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 4.70 -0.14 0.99 1.02 -1.26 -4.83 118.68 119.15 1gh8 s LEU 48 Ca 0.00 -1.12 -0.19 0.00 0.02 0.00 0.00 54.13 52.84 1gh8 s LEU 48 Cb 0.00 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.79 1gh8 s LEU 48 CO 0.00 -1.34 0.51 -0.69 0.02 0.00 0.00 176.35 174.85 1gh8 s VAL 49 N 3.63 5.15 0.04 -1.59 1.01 -1.26 -0.64 120.40 126.74 1gh8 s VAL 49 Ca 0.19 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.06 1gh8 s VAL 49 Cb -0.19 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1gh8 s VAL 49 CO 0.09 0.27 0.35 0.00 0.00 0.00 0.00 175.10 175.81 1gh8 s ALA 50 N 1.01 3.76 -0.28 5.51 0.00 0.58 -4.67 121.76 127.66 1gh8 s ALA 50 Ca 0.26 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 1gh8 s ALA 50 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1gh8 s ALA 50 CO 0.10 0.57 0.12 -0.51 0.00 0.00 0.00 175.76 176.05 1gh8 s LEU 51 N -1.69 3.82 -0.85 0.00 1.43 0.95 -1.10 118.68 121.26 1gh8 s LEU 51 Ca 0.29 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 1gh8 s LEU 51 Cb -0.14 -1.97 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1gh8 s LEU 51 CO 0.16 -0.12 1.06 0.20 0.23 0.00 0.00 176.35 177.89 1gh8 s ASN 52 N 1.62 6.49 -0.62 2.29 0.02 -0.06 -1.49 114.94 123.19 1gh8 s ASN 52 Ca 0.05 -1.75 -0.24 0.00 -1.02 0.00 0.00 52.86 49.90 1gh8 s ASN 52 Cb -0.16 -2.40 0.05 0.00 0.02 0.00 0.00 41.25 38.76 1gh8 s ASN 52 CO 0.05 -1.16 1.01 -0.69 0.02 0.00 0.00 177.10 176.33 1gh8 s VAL 53 N 3.03 4.25 0.64 1.60 1.01 0.86 -1.44 120.40 130.36 1gh8 s VAL 53 Ca 0.29 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1gh8 s VAL 53 Cb -0.09 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.66 1gh8 s VAL 53 CO -0.04 -1.37 0.97 -0.04 0.00 0.00 0.00 175.10 174.62 1gh8 s MET 54 N 4.29 2.71 -0.03 2.72 -1.94 -0.96 -1.76 119.30 124.33 1gh8 s MET 54 Ca 0.28 0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1gh8 s MET 54 Cb -0.13 -2.19 0.03 0.00 2.01 0.00 0.00 34.83 34.54 1gh8 s MET 54 CO 0.15 -0.91 0.03 0.14 -0.01 0.00 0.00 175.02 174.41 1gh8 s VAL 55 N -3.13 0.04 -0.45 -6.03 -7.23 -0.19 0.87 120.40 104.27 1gh8 s VAL 55 Ca 0.56 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.79 1gh8 s VAL 55 Cb -0.11 -0.20 0.05 0.00 0.56 0.00 0.00 36.38 36.68 1gh8 s VAL 55 CO 0.46 0.15 0.44 0.54 -0.31 0.00 0.00 175.10 176.38 1gh8 s VAL 56 N 1.41 5.11 0.39 1.32 0.11 -1.21 -2.26 120.40 125.28 1gh8 s VAL 56 Ca -0.05 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 1gh8 s VAL 56 Cb -0.13 -4.11 -0.06 0.00 -1.53 0.00 0.00 36.38 30.55 1gh8 s VAL 56 CO -0.03 -0.54 0.04 0.68 -3.33 0.00 0.00 175.10 171.92 1gh8 s VAL 57 N 2.02 1.49 0.00 2.04 -7.23 -0.80 -4.60 120.40 113.32 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 -0.20 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1gh8 s VAL 57 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1gh8 n GLY 58 N -0.91 -2.24 0.02 2.32 0.00 -1.26 -0.46 105.19 102.66 1gh8 n GLY 58 Ca -0.06 0.74 0.12 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.24 0.06 -3.64 1.61 8.00 -1.26 -4.80 116.55 115.28 1gh8 n ASP 59 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1gh8 n ASP 59 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gh8 n ALA 60 N -0.83 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.55 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.01 0.00 0.28 -1.26 -5.00 120.64 114.64 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 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.33 0.00 -1.84 0.00 -1.26 -3.71 105.19 98.05 1gh8 n GLY 62 Ca 0.00 -0.02 0.07 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 0.42 -0.89 0.00 -0.02 0.00 -1.26 -2.16 105.19 101.28 1gh8 n GLY 63 Ca 0.01 -0.06 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 -1.38 0.31 0.21 2.61 -2.24 -1.24 -2.36 114.28 110.18 1gh8 n THR 64 Ca 0.06 0.08 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 1gh8 n THR 64 Cb 0.14 -0.72 0.83 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.19 -0.78 -0.00 -1.77 -0.08 114.58 111.76 1gh8 h GLU 65 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.42 1gh8 h GLU 65 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 1gh8 h GLU 65 CO 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 179.01 179.20 1gh8 h ALA 66 N 1.60 1.87 0.65 1.06 0.00 -1.82 -2.10 119.26 120.52 1gh8 h ALA 66 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.67 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1gh8 h ALA 66 CO -0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 179.25 178.65 1gh8 h ALA 67 N 1.79 -0.87 -0.53 0.00 0.00 -1.29 0.67 119.26 119.04 1gh8 h ALA 67 Ca 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1gh8 h ALA 67 Cb 0.48 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1gh8 h ALA 67 CO -0.00 -0.96 0.35 0.93 0.00 0.00 0.00 179.25 179.56 1gh8 h GLU 68 N -0.91 0.58 0.15 0.00 5.08 -1.58 -0.98 114.58 116.92 1gh8 h GLU 68 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.68 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1gh8 h GLU 68 CO 0.15 0.39 -0.07 1.49 -1.00 0.00 0.00 179.01 179.96 1gh8 h GLU 69 N 0.60 -0.19 0.00 2.33 4.22 -0.95 -1.99 114.58 118.60 1gh8 h GLU 69 Ca 0.21 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 1gh8 h GLU 69 Cb 0.10 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1gh8 h GLU 69 CO -0.05 -0.07 -0.01 0.66 -2.18 0.00 0.00 179.01 177.35 1gh8 h SER 70 N -0.26 0.00 0.79 1.04 4.64 -0.24 -1.69 113.55 117.83 1gh8 h SER 70 Ca -0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1gh8 h SER 70 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1gh8 h SER 70 CO 0.03 0.01 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.49 1gh8 h LEU 71 N 0.00 0.00 -1.49 5.97 -0.00 -0.44 0.62 115.31 119.98 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 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1gh8 h LEU 71 CO 0.00 0.44 0.00 0.77 -0.00 0.00 0.00 178.44 179.65 1gh8 h SER 72 N 0.00 0.00 0.00 -0.43 4.64 -1.02 -3.11 113.55 113.63 1gh8 h SER 72 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1gh8 h SER 72 Cb 0.95 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.82 1gh8 h SER 72 CO 0.06 0.00 -0.58 0.61 -0.87 0.00 0.00 176.83 176.05 1gh8 n GLY 73 N -0.73 0.72 0.00 -0.77 0.00 -1.00 -5.13 105.19 98.28 1gh8 n GLY 73 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.20 0.00 -1.53 -0.61 3.06 0.21 -4.75 119.36 115.94 1gh8 n ILE 74 Ca -0.13 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 59.95 1gh8 n ILE 74 Cb 0.87 -1.34 -0.14 0.00 0.54 0.00 0.00 39.64 39.57 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 -0.39 0.32 0.28 9.51 0.28 -1.26 -4.72 120.64 124.65 1gh8 n GLU 75 Ca 0.00 -0.48 0.14 0.00 -0.16 0.00 0.00 57.16 56.66 1gh8 n GLU 75 Cb 0.00 -2.55 0.80 0.00 1.43 0.00 0.00 31.44 31.12 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 17.64 0.00 1.12 -1.84 0.00 -1.97 -2.28 103.07 115.74 1gh8 h GLY 76 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1gh8 h GLY 76 CO 1.27 0.00 -1.62 -0.24 0.00 0.00 0.00 176.54 175.95 1gh8 h VAL 77 N 0.00 1.04 -3.27 4.60 3.04 -1.94 -3.41 116.25 116.31 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 0.23 2.69 -0.23 0.00 -2.01 0.00 0.00 31.29 31.97 1gh8 h VAL 77 CO 0.01 0.80 0.36 -0.44 -1.01 0.00 0.00 177.57 177.29 1gh8 s SER 78 N -6.91 6.69 0.05 3.17 0.01 -0.86 -0.24 113.70 115.61 1gh8 s SER 78 Ca -0.11 -2.40 -0.31 0.00 1.31 0.00 0.00 55.95 54.45 1gh8 s SER 78 Cb 0.07 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1gh8 s SER 78 CO 0.84 -0.77 1.18 0.21 0.41 0.00 0.00 173.24 175.10 1gh8 s ASN 79 N 2.76 7.11 0.04 2.44 3.04 -0.86 -4.40 114.94 125.08 1gh8 s ASN 79 Ca 0.23 1.97 -0.00 0.00 0.04 0.00 0.00 52.86 55.10 1gh8 s ASN 79 Cb -0.09 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1gh8 s ASN 79 CO -0.08 -0.45 0.18 -0.63 -3.04 0.00 0.00 177.10 173.07 1gh8 s ILE 80 N 1.09 5.23 -1.35 -5.21 1.09 -1.26 -2.87 121.20 117.92 1gh8 s ILE 80 Ca 0.58 -0.39 -0.11 0.00 -1.10 0.00 0.00 60.65 59.62 1gh8 s ILE 80 Cb -0.28 -3.51 0.12 0.00 -1.06 0.00 0.00 42.46 37.72 1gh8 s ILE 80 CO 0.29 0.19 2.01 1.21 -0.10 0.00 0.00 174.94 178.54 1gh8 n GLU 81 N 0.53 3.33 -1.12 2.79 2.13 0.18 -4.82 120.64 123.65 1gh8 n GLU 81 Ca -0.07 -3.17 -0.22 0.00 0.66 0.00 0.00 57.16 54.35 1gh8 n GLU 81 Cb 0.52 -3.07 -0.12 0.00 0.27 0.00 0.00 31.44 29.04 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 4.02 3.50 -0.65 6.31 0.31 -1.26 -3.36 118.33 127.19 1gh8 n VAL 82 Ca 0.44 -1.90 0.00 0.00 -0.01 0.00 0.00 64.34 62.87 1gh8 n VAL 82 Cb 0.37 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 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 2.90 0.08 -3.01 2.52 -1.04 -1.26 -5.07 114.28 109.40 1gh8 n THR 83 Ca 0.56 -0.22 -0.40 0.00 -2.04 0.00 0.00 64.05 61.96 1gh8 n THR 83 Cb 0.66 1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 70.58 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 -0.08 7.11 -0.05 8.00 1.11 -1.18 -5.03 116.67 126.54 1gh8 s ASP 84 Ca 0.00 1.33 -0.11 0.00 0.18 0.00 0.00 52.55 53.94 1gh8 s ASP 84 Cb 0.00 -2.44 0.02 0.00 1.07 0.00 0.00 42.92 41.57 1gh8 s ASP 84 CO 0.00 -0.05 0.27 0.54 1.18 0.00 0.00 175.17 177.11 1gh8 s VAL 85 N 0.35 0.04 -0.33 -1.27 0.11 -1.26 -1.14 120.40 116.90 1gh8 s VAL 85 Ca 0.38 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1gh8 s VAL 85 Cb -0.19 -0.49 0.15 0.00 -1.53 0.00 0.00 36.38 34.32 1gh8 s VAL 85 CO 0.21 -0.17 0.38 -0.60 -3.33 0.00 0.00 175.10 171.59 1gh8 s ARG 86 N -0.69 0.51 -0.46 1.54 3.52 0.20 -4.93 118.95 118.63 1gh8 s ARG 86 Ca -0.08 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 54.88 1gh8 s ARG 86 Cb -0.04 -0.54 0.03 0.00 -1.56 0.00 0.00 34.95 32.84 1gh8 s ARG 86 CO 0.02 -1.11 1.05 1.03 -0.81 0.00 0.00 175.30 175.48 1gh8 s ARG 87 N 2.01 3.67 -1.29 5.12 3.00 -1.26 -0.17 118.95 130.02 1gh8 s ARG 87 Ca 0.13 0.43 -0.17 0.00 0.00 0.00 0.00 55.73 56.12 1gh8 s ARG 87 Cb -0.13 -3.91 0.09 0.00 0.00 0.00 0.00 34.95 31.00 1gh8 s ARG 87 CO -0.19 -1.30 1.72 1.28 0.00 0.00 0.00 175.30 176.82 1gh8 n LEU 88 N 7.53 5.17 -0.65 2.53 4.32 0.11 -4.92 117.00 131.09 1gh8 n LEU 88 Ca 0.10 -4.06 0.13 0.00 -0.02 0.00 0.00 56.01 52.16 1gh8 n LEU 88 Cb 0.49 -1.71 0.37 0.00 -1.62 0.00 0.00 43.42 40.95 1gh8 n LEU 88 CO 0.68 0.36 0.78 0.23 -1.22 0.00 0.00 177.39 178.22