#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 0.35 3.95 3.03 0.00 -0.36 -4.46 105.19 107.70 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 6.21 -0.28 1.61 1.11 0.41 -4.68 116.67 121.05 1gh8 s ASP 3 Ca 0.00 0.40 -0.10 0.00 0.18 0.00 0.00 52.55 53.03 1gh8 s ASP 3 Cb 0.00 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1gh8 s ASP 3 CO 0.00 -0.36 0.15 -0.69 1.18 0.00 0.00 175.17 175.45 1gh8 s VAL 4 N -2.35 4.90 -0.27 -1.27 1.01 -0.20 -2.12 120.40 120.10 1gh8 s VAL 4 Ca 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1gh8 s VAL 4 Cb -0.10 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1gh8 s VAL 4 CO 0.36 0.24 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 1gh8 s VAL 5 N 1.69 2.94 0.45 2.92 1.01 -0.43 -1.25 120.40 127.74 1gh8 s VAL 5 Ca 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1gh8 s VAL 5 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1gh8 s VAL 5 CO 0.08 0.08 0.66 0.00 0.00 0.00 0.00 175.10 175.92 1gh8 s ALA 6 N 1.30 3.89 -0.06 5.51 0.00 -0.83 0.30 121.76 131.86 1gh8 s ALA 6 Ca -0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 1gh8 s ALA 6 Cb -0.18 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1gh8 s ALA 6 CO -0.03 -0.40 0.14 0.99 0.00 0.00 0.00 175.76 176.46 1gh8 s THR 7 N -2.53 -0.05 -0.27 0.00 2.01 0.12 -0.84 115.64 114.08 1gh8 s THR 7 Ca 0.50 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1gh8 s THR 7 Cb -0.10 -0.23 0.07 0.00 0.01 0.00 0.00 72.50 72.25 1gh8 s THR 7 CO 0.37 0.07 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.69 1gh8 s ILE 8 N 1.10 1.95 -0.71 1.82 -1.09 -0.40 -3.02 121.20 120.85 1gh8 s ILE 8 Ca -0.09 -1.66 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 1gh8 s ILE 8 Cb -0.11 -2.20 0.15 0.00 -1.58 0.00 0.00 42.46 38.71 1gh8 s ILE 8 CO -0.05 -0.20 0.77 -0.54 -1.23 0.00 0.00 174.94 173.68 1gh8 s LYS 9 N 1.16 3.30 -0.04 2.79 -0.14 -1.21 -0.07 119.74 125.53 1gh8 s LYS 9 Ca -0.03 -1.79 -0.14 0.00 -1.36 0.00 0.00 55.97 52.65 1gh8 s LYS 9 Cb -0.19 -4.43 -0.05 0.00 -1.68 0.00 0.00 37.83 31.47 1gh8 s LYS 9 CO -0.07 -1.48 0.37 0.14 -0.76 0.00 0.00 175.35 173.55 1gh8 s VAL 10 N 1.77 5.13 -0.12 3.17 -7.23 -0.71 0.21 120.40 122.63 1gh8 s VAL 10 Ca 0.16 0.74 -0.06 0.00 -1.81 0.00 0.00 61.98 61.01 1gh8 s VAL 10 Cb -0.18 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.14 1gh8 s VAL 10 CO -0.01 0.54 0.28 0.00 -0.31 0.00 0.00 175.10 175.59 1gh8 s MET 11 N -0.72 0.22 -0.03 4.82 0.23 -1.11 -0.79 119.30 121.92 1gh8 s MET 11 Ca 0.22 0.63 -0.30 0.00 -1.03 0.00 0.00 55.69 55.21 1gh8 s MET 11 Cb -0.16 -0.08 -0.05 0.00 -1.53 0.00 0.00 34.83 33.02 1gh8 s MET 11 CO 0.11 -0.19 1.34 -2.14 -2.03 0.00 0.00 175.02 172.10 1gh8 s PRO 12 N 1.56 4.30 0.44 3.16 0.02 -1.26 -2.16 135.00 141.06 1gh8 s PRO 12 Ca -0.07 1.86 0.13 0.00 0.02 0.00 0.00 61.00 62.94 1gh8 s PRO 12 Cb -0.10 -3.59 1.02 0.00 0.02 0.00 0.00 34.50 31.84 1gh8 s PRO 12 CO -0.09 -0.55 2.00 0.93 -0.33 0.00 0.00 177.00 178.95 1gh8 h GLU 13 N 7.78 0.40 -7.12 5.54 5.08 -1.22 -3.43 114.58 121.62 1gh8 h GLU 13 Ca -0.36 -0.02 -0.46 0.00 -1.00 0.00 0.00 59.36 57.51 1gh8 h GLU 13 Cb 1.17 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1gh8 h GLU 13 CO 0.90 0.26 0.37 -1.12 -1.00 0.00 0.00 179.01 178.42 1gh8 s SER 14 N -6.33 6.54 0.00 1.42 0.01 -1.26 -4.92 113.70 109.16 1gh8 s SER 14 Ca -0.08 1.73 0.12 0.00 1.31 0.00 0.00 55.95 59.04 1gh8 s SER 14 Cb 0.19 -2.54 0.69 0.00 0.21 0.00 0.00 66.02 64.58 1gh8 s SER 14 CO 0.74 -0.64 1.23 -0.81 0.41 0.00 0.00 173.24 174.18 1gh8 n PRO 15 N -1.18 0.30 -1.21 12.44 -0.04 -1.26 -3.18 135.00 140.87 1gh8 n PRO 15 Ca 0.08 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1gh8 n PRO 15 Cb 0.53 -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 -3.47 -0.04 0.00 0.00 175.50 171.99 1gh8 n ASP 16 N -1.13 6.64 -4.37 3.54 -0.08 -1.26 -4.85 116.55 115.03 1gh8 n ASP 16 Ca 0.08 -3.22 -0.26 0.00 -1.51 0.00 0.00 54.79 49.88 1gh8 n ASP 16 Cb 0.07 -1.12 -0.09 0.00 2.34 0.00 0.00 41.12 42.32 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 0.40 0.94 -2.10 5.18 0.31 -1.19 -4.86 118.33 117.00 1gh8 n VAL 17 Ca 0.42 -0.94 -0.30 0.00 -0.01 0.00 0.00 64.34 63.50 1gh8 n VAL 17 Cb 0.56 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 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 7.23 5.30 0.29 4.52 1.01 -1.26 -4.80 116.67 128.96 1gh8 s ASP 18 Ca 0.73 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.38 1gh8 s ASP 18 Cb 0.01 -2.56 0.43 0.00 1.01 0.00 0.00 42.92 41.81 1gh8 s ASP 18 CO 0.18 -2.57 1.80 0.17 0.21 0.00 0.00 175.17 174.96 1gh8 h LEU 19 N 17.14 0.66 -0.45 1.23 -0.00 -1.89 0.26 115.31 132.26 1gh8 h LEU 19 Ca 0.06 -0.14 -0.16 0.00 -0.00 0.00 0.00 57.88 57.63 1gh8 h LEU 19 Cb 1.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1gh8 h LEU 19 CO 1.23 0.73 -0.41 1.05 -0.00 0.00 0.00 178.44 181.04 1gh8 h GLU 20 N 0.66 0.83 -0.10 0.17 4.11 -1.99 0.27 114.58 118.53 1gh8 h GLU 20 Ca 0.13 -0.45 -0.15 0.00 0.07 0.00 0.00 59.36 58.96 1gh8 h GLU 20 Cb 0.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1gh8 h GLU 20 CO 0.01 1.08 -0.60 0.00 0.07 0.00 0.00 179.01 179.58 1gh8 h ALA 21 N 0.85 0.79 -0.18 1.06 0.00 -1.91 -2.65 119.26 117.22 1gh8 h ALA 21 Ca 0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1gh8 h ALA 21 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1gh8 h ALA 21 CO 0.09 0.72 -0.21 1.25 0.00 0.00 0.00 179.25 181.10 1gh8 h LEU 22 N 0.25 0.31 -0.53 0.00 5.85 -0.08 -2.51 115.31 118.61 1gh8 h LEU 22 Ca -0.00 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1gh8 h LEU 22 Cb 1.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1gh8 h LEU 22 CO 0.10 0.54 0.27 0.11 -0.34 0.00 0.00 178.44 179.12 1gh8 h LYS 23 N 0.29 0.51 -0.43 1.25 1.57 -0.11 0.46 116.57 120.11 1gh8 h LYS 23 Ca 0.05 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1gh8 h LYS 23 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1gh8 h LYS 23 CO 0.04 0.34 0.03 0.87 -0.57 0.00 0.00 179.45 180.15 1gh8 h LYS 24 N 0.52 0.74 -0.00 3.15 1.57 -1.40 -2.64 116.57 118.52 1gh8 h LYS 24 Ca 0.23 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1gh8 h LYS 24 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1gh8 h LYS 24 CO -0.16 0.80 -0.27 0.93 -0.57 0.00 0.00 179.45 180.18 1gh8 h GLU 25 N 0.59 0.01 -0.40 3.15 5.08 -0.97 -2.84 114.58 119.20 1gh8 h GLU 25 Ca 0.13 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1gh8 h GLU 25 Cb 0.45 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1gh8 h GLU 25 CO 0.02 0.28 0.24 0.82 -1.00 0.00 0.00 179.01 179.37 1gh8 h ILE 26 N 0.01 1.13 -0.75 3.13 2.04 0.26 0.09 117.51 123.41 1gh8 h ILE 26 Ca -0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1gh8 h ILE 26 Cb 0.49 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1gh8 h ILE 26 CO 0.04 0.13 0.43 1.56 0.00 0.00 0.00 178.15 180.31 1gh8 h GLN 27 N 0.52 1.03 0.00 2.37 1.08 -1.34 -1.15 115.11 117.62 1gh8 h GLN 27 Ca 0.14 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1gh8 h GLN 27 Cb -0.00 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 1gh8 h GLN 27 CO -0.03 0.74 -0.24 0.93 -0.95 0.00 0.00 178.83 179.28 1gh8 h GLU 28 N 1.04 0.00 0.00 1.46 5.08 -1.38 -3.14 114.58 117.64 1gh8 h GLU 28 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1gh8 h GLU 28 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1gh8 h GLU 28 CO -0.05 0.24 -0.65 2.89 -1.00 0.00 0.00 179.01 180.44 1gh8 n ARG 29 N -3.26 0.11 -1.76 2.33 1.85 -0.02 -4.93 116.66 110.98 1gh8 n ARG 29 Ca 0.01 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.47 1gh8 n ARG 29 Cb 0.53 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.37 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 -3.07 2.00 -0.28 8.89 -1.09 -0.51 -4.76 121.20 122.37 1gh8 s ILE 30 Ca 0.09 0.00 -0.41 0.00 -2.23 0.00 0.00 60.65 58.10 1gh8 s ILE 30 Cb 0.16 -3.00 -0.16 0.00 -1.58 0.00 0.00 42.46 37.88 1gh8 s ILE 30 CO 0.73 0.00 1.70 -0.81 -1.23 0.00 0.00 174.94 175.33 1gh8 n PRO 31 N 1.38 0.99 0.03 2.79 -0.04 -1.26 -4.78 135.00 134.12 1gh8 n PRO 31 Ca 0.05 0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 1gh8 n PRO 31 Cb 0.38 -2.02 0.10 0.00 -0.04 0.00 0.00 33.50 31.92 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 4.99 0.02 0.10 0.54 2.13 -1.26 -1.77 120.64 125.39 1gh8 n GLU 32 Ca 0.27 0.44 -0.23 0.00 0.66 0.00 0.00 57.16 58.30 1gh8 n GLU 32 Cb 0.11 -1.69 -0.15 0.00 0.27 0.00 0.00 31.44 29.97 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 0.50 0.00 8.31 0.00 -1.76 -3.48 103.07 106.64 1gh8 h GLY 33 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 47.33 46.06 1gh8 h GLY 33 CO 0.00 1.11 0.00 2.41 0.00 0.00 0.00 176.54 180.06 1gh8 n THR 34 N -3.87 0.00 -4.31 4.70 -1.04 -0.73 -4.79 114.28 104.24 1gh8 n THR 34 Ca -0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 1gh8 n THR 34 Cb 0.99 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.41 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 2.46 1.58 0.69 -2.82 2.02 -1.26 -4.69 118.70 116.69 1gh8 s GLU 35 Ca 0.00 -1.90 -0.12 0.00 0.02 0.00 0.00 54.97 52.97 1gh8 s GLU 35 Cb 0.00 0.04 0.17 0.00 0.10 0.00 0.00 34.13 34.44 1gh8 s GLU 35 CO 0.00 -0.49 0.75 1.47 0.02 0.00 0.00 175.26 177.01 1gh8 n LEU 36 N -0.56 0.00 0.00 1.80 -0.00 -1.26 -2.71 117.00 114.28 1gh8 n LEU 36 Ca 0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 1gh8 n LEU 36 Cb 0.64 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1gh8 n LEU 36 CO 0.34 -1.42 0.00 1.57 -0.00 0.00 0.00 177.39 177.88 1gh8 n HIS 37 N -3.57 -0.03 -3.63 1.47 -0.00 0.30 -3.20 115.22 106.55 1gh8 n HIS 37 Ca 0.10 0.01 -0.05 0.00 0.46 0.00 0.00 57.72 58.24 1gh8 n HIS 37 Cb 0.36 0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 30.45 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1gh8 s LYS 38 N -1.02 0.63 0.36 1.57 -0.14 -1.25 -4.95 119.74 114.94 1gh8 s LYS 38 Ca 0.00 1.21 -0.03 0.00 -1.36 0.00 0.00 55.97 55.79 1gh8 s LYS 38 Cb 0.00 0.33 -0.04 0.00 -1.68 0.00 0.00 37.83 36.44 1gh8 s LYS 38 CO 0.00 -0.15 0.61 0.42 -0.76 0.00 0.00 175.35 175.47 1gh8 s ILE 39 N 1.95 5.02 -0.13 2.17 1.01 -1.25 -1.83 121.20 128.15 1gh8 s ILE 39 Ca -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1gh8 s ILE 39 Cb -0.07 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1gh8 s ILE 39 CO -0.19 -0.54 -0.08 -0.62 0.00 0.00 0.00 174.94 173.50 1gh8 s ASP 40 N -3.73 2.35 -1.39 3.58 2.15 -0.39 -4.84 116.67 114.41 1gh8 s ASP 40 Ca 0.43 -0.39 -0.14 0.00 0.43 0.00 0.00 52.55 52.89 1gh8 s ASP 40 Cb -0.10 -0.90 0.08 0.00 -0.30 0.00 0.00 42.92 41.70 1gh8 s ASP 40 CO 0.36 -0.12 2.04 -0.62 -0.17 0.00 0.00 175.17 176.66 1gh8 n GLU 41 N 4.91 3.09 -3.62 4.34 1.02 -1.26 -0.56 120.64 128.56 1gh8 n GLU 41 Ca -0.13 -2.96 -0.36 0.00 -0.02 0.00 0.00 57.16 53.69 1gh8 n GLU 41 Cb 0.50 -3.23 -0.07 0.00 -0.02 0.00 0.00 31.44 28.61 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 2.68 4.07 0.40 3.49 2.02 -0.00 -4.93 118.70 126.43 1gh8 s GLU 42 Ca 0.46 0.05 -0.08 0.00 0.02 0.00 0.00 54.97 55.42 1gh8 s GLU 42 Cb 0.11 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 1gh8 s GLU 42 CO -0.04 0.39 0.73 -1.25 0.02 0.00 0.00 175.26 175.11 1gh8 s PRO 43 N 0.03 3.70 0.00 0.39 0.04 -1.26 0.15 135.00 138.04 1gh8 s PRO 43 Ca 0.16 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1gh8 s PRO 43 Cb -0.13 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1gh8 s PRO 43 CO 0.04 -0.02 0.00 -0.89 0.04 0.00 0.00 177.00 176.17 1gh8 n ILE 44 N -1.42 0.00 0.00 0.56 2.08 0.15 -4.75 119.36 115.98 1gh8 n ILE 44 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1gh8 n ILE 44 Cb 0.54 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 -1.41 0.00 0.17 -1.39 0.00 -1.11 -4.88 120.51 111.88 1gh8 n ALA 45 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1gh8 n ALA 45 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.20 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.38 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 0.47 0.00 0.41 -0.60 0.00 0.00 178.31 178.59 1gh8 n GLY 47 N 0.20 0.03 3.42 -1.45 0.00 -1.26 -5.05 105.19 101.08 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 4.96 -0.17 0.99 1.02 -1.26 -4.77 118.68 119.44 1gh8 s LEU 48 Ca 0.00 -1.43 -0.16 0.00 0.02 0.00 0.00 54.13 52.56 1gh8 s LEU 48 Cb 0.00 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.80 1gh8 s LEU 48 CO 0.00 -1.22 0.40 -0.69 0.02 0.00 0.00 176.35 174.86 1gh8 s VAL 49 N 3.16 5.21 -0.00 -1.59 1.01 -1.26 -0.67 120.40 126.25 1gh8 s VAL 49 Ca 0.21 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1gh8 s VAL 49 Cb -0.17 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1gh8 s VAL 49 CO 0.04 0.29 0.32 0.00 0.00 0.00 0.00 175.10 175.75 1gh8 s ALA 50 N 0.99 3.78 -0.24 5.51 0.00 0.38 -4.71 121.76 127.46 1gh8 s ALA 50 Ca 0.20 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1gh8 s ALA 50 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1gh8 s ALA 50 CO 0.08 0.57 0.07 -0.51 0.00 0.00 0.00 175.76 175.97 1gh8 s LEU 51 N -1.44 3.46 -0.88 0.00 1.43 0.03 -0.82 118.68 120.46 1gh8 s LEU 51 Ca 0.25 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1gh8 s LEU 51 Cb -0.14 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.27 1gh8 s LEU 51 CO 0.13 -0.02 1.08 0.20 0.23 0.00 0.00 176.35 177.98 1gh8 s ASN 52 N 1.53 6.55 -0.51 2.29 0.02 0.28 -1.73 114.94 123.35 1gh8 s ASN 52 Ca 0.06 -1.87 -0.24 0.00 -1.02 0.00 0.00 52.86 49.78 1gh8 s ASN 52 Cb -0.15 -2.40 0.04 0.00 0.02 0.00 0.00 41.25 38.76 1gh8 s ASN 52 CO 0.04 -1.12 0.91 -0.69 0.02 0.00 0.00 177.10 176.26 1gh8 s VAL 53 N 2.86 4.45 0.69 1.60 1.01 0.91 -1.26 120.40 130.66 1gh8 s VAL 53 Ca 0.30 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1gh8 s VAL 53 Cb -0.07 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.87 1gh8 s VAL 53 CO -0.06 -0.98 1.02 -0.04 0.00 0.00 0.00 175.10 175.03 1gh8 s MET 54 N 3.79 2.40 -0.03 2.72 -1.94 -0.76 -1.27 119.30 124.21 1gh8 s MET 54 Ca 0.32 -0.09 -0.02 0.00 -1.71 0.00 0.00 55.69 54.19 1gh8 s MET 54 Cb -0.12 -2.15 0.02 0.00 2.01 0.00 0.00 34.83 34.58 1gh8 s MET 54 CO 0.21 -1.14 0.06 0.14 -0.01 0.00 0.00 175.02 174.29 1gh8 s VAL 55 N -3.24 -0.02 -0.38 -6.03 -7.23 -0.02 0.11 120.40 103.59 1gh8 s VAL 55 Ca 0.59 0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.67 1gh8 s VAL 55 Cb -0.11 -0.11 0.01 0.00 0.56 0.00 0.00 36.38 36.73 1gh8 s VAL 55 CO 0.46 0.03 0.43 -0.69 -0.31 0.00 0.00 175.10 175.03 1gh8 s VAL 56 N 0.46 5.09 -0.02 1.32 1.01 -1.10 -1.97 120.40 125.19 1gh8 s VAL 56 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1gh8 s VAL 56 Cb -0.05 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 56 CO -0.02 -0.28 -0.12 0.68 0.00 0.00 0.00 175.10 175.37 1gh8 s VAL 57 N 2.17 0.97 0.25 2.92 -7.23 -0.38 -4.34 120.40 114.76 1gh8 s VAL 57 Ca 0.14 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1gh8 s VAL 57 Cb -0.16 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1gh8 s VAL 57 CO 0.13 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1gh8 n GLY 58 N 2.99 -1.66 0.08 2.32 0.00 -1.26 -1.03 105.19 106.63 1gh8 n GLY 58 Ca -0.16 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.19 0.66 -2.37 1.61 9.92 -1.26 -4.79 116.55 117.13 1gh8 n ASP 59 Ca 0.00 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1gh8 n ASP 59 Cb 0.00 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 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 -1.74 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 111.64 1gh8 n ALA 60 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1gh8 n ALA 60 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -5.00 120.64 114.64 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 -0.10 0.00 -1.84 0.00 -1.26 -3.81 105.19 98.18 1gh8 n GLY 62 Ca 0.00 -0.03 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 0.37 -0.61 0.00 -0.02 0.00 -1.26 -2.32 105.19 101.35 1gh8 n GLY 63 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.10 0.30 0.22 2.61 -2.24 -1.25 -2.27 114.28 110.56 1gh8 n THR 64 Ca 0.11 0.07 0.18 0.00 -2.27 0.00 0.00 64.05 62.14 1gh8 n THR 64 Cb 0.08 -0.69 0.83 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 -0.22 -0.78 4.11 -1.81 -0.10 114.58 115.78 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 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1gh8 h GLU 65 CO 0.00 0.00 0.20 0.00 0.07 0.00 0.00 179.01 179.28 1gh8 h ALA 66 N 1.57 2.00 0.53 1.06 0.00 -1.83 -2.02 119.26 120.57 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 0.68 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gh8 h ALA 66 CO -0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 179.25 178.68 1gh8 h ALA 67 N 1.81 -0.71 -0.54 0.00 0.00 -1.30 0.12 119.26 118.64 1gh8 h ALA 67 Ca 0.11 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gh8 h ALA 67 Cb 0.50 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1gh8 h ALA 67 CO -0.00 -0.86 0.36 0.93 0.00 0.00 0.00 179.25 179.67 1gh8 h GLU 68 N -0.78 0.61 0.04 0.00 4.39 -1.57 -0.86 114.58 116.41 1gh8 h GLU 68 Ca -0.07 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1gh8 h GLU 68 Cb 0.58 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1gh8 h GLU 68 CO 0.12 0.41 -0.02 1.49 -1.16 0.00 0.00 179.01 179.85 1gh8 h GLU 69 N 0.63 -0.05 0.00 2.33 4.81 -0.95 -1.92 114.58 119.43 1gh8 h GLU 69 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1gh8 h GLU 69 Cb 0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1gh8 h GLU 69 CO -0.06 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 178.97 1gh8 h SER 70 N -0.18 0.00 0.59 1.04 4.64 -0.08 -1.33 113.55 118.22 1gh8 h SER 70 Ca -0.01 0.00 -0.14 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 62.24 1gh8 h SER 70 CO 0.01 0.00 -0.65 -0.07 -0.87 0.00 0.00 176.83 175.25 1gh8 h LEU 71 N 0.00 0.07 -0.52 5.97 -0.00 -0.38 0.66 115.31 121.11 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 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1gh8 h LEU 71 CO 0.00 0.70 0.00 -1.54 -0.00 0.00 0.00 178.44 177.60 1gh8 n SER 72 N -3.79 0.27 -0.96 -0.43 3.41 -0.50 -2.79 113.62 108.83 1gh8 n SER 72 Ca -0.01 0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 59.18 1gh8 n SER 72 Cb 0.64 -0.65 -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 -0.87 0.74 0.00 5.00 0.00 -1.02 -5.12 105.19 103.92 1gh8 n GLY 73 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 0.00 -1.53 -0.61 3.06 0.23 -4.77 119.36 115.88 1gh8 n ILE 74 Ca -0.08 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.78 1gh8 n ILE 74 Cb 0.79 -1.32 -0.08 0.00 0.54 0.00 0.00 39.64 39.56 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 -0.10 0.57 0.09 9.51 4.71 -1.26 -4.77 120.64 129.39 1gh8 n GLU 75 Ca 0.00 -0.01 0.05 0.00 -0.01 0.00 0.00 57.16 57.19 1gh8 n GLU 75 Cb 0.00 -2.58 0.49 0.00 -1.01 0.00 0.00 31.44 28.34 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 16.26 0.36 0.81 0.62 0.00 -1.97 -2.78 103.07 116.36 1gh8 h GLY 76 Ca -0.15 -0.14 -0.35 0.00 0.00 0.00 0.00 47.33 46.69 1gh8 h GLY 76 CO 1.26 0.14 -1.85 -2.08 0.00 0.00 0.00 176.54 174.02 1gh8 h VAL 77 N 0.35 0.79 -3.24 4.60 2.07 -1.95 -3.42 116.25 115.45 1gh8 h VAL 77 Ca 0.09 -2.48 -0.75 0.00 0.82 0.00 0.00 66.70 64.38 1gh8 h VAL 77 Cb 0.01 2.60 -0.23 0.00 -1.52 0.00 0.00 31.29 32.15 1gh8 h VAL 77 CO -0.02 0.84 0.37 -0.44 0.02 0.00 0.00 177.57 178.34 1gh8 s SER 78 N -7.00 6.68 0.19 0.57 0.01 -1.05 -0.58 113.70 112.51 1gh8 s SER 78 Ca -0.17 -2.38 -0.30 0.00 1.31 0.00 0.00 55.95 54.41 1gh8 s SER 78 Cb 0.06 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.93 1gh8 s SER 78 CO 0.81 -0.79 0.97 0.21 0.41 0.00 0.00 173.24 174.85 1gh8 s ASN 79 N 2.80 7.55 0.02 2.44 3.04 -0.92 -4.35 114.94 125.52 1gh8 s ASN 79 Ca 0.23 1.92 -0.01 0.00 0.04 0.00 0.00 52.86 55.04 1gh8 s ASN 79 Cb -0.09 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 1gh8 s ASN 79 CO -0.08 0.04 0.15 -0.63 -3.04 0.00 0.00 177.10 173.54 1gh8 s ILE 80 N -0.69 5.14 -1.33 -5.21 1.01 -1.26 -2.73 121.20 116.14 1gh8 s ILE 80 Ca 0.44 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1gh8 s ILE 80 Cb -0.26 -3.42 0.12 0.00 0.01 0.00 0.00 42.46 38.92 1gh8 s ILE 80 CO 0.32 0.27 1.92 1.21 0.00 0.00 0.00 174.94 178.65 1gh8 n GLU 81 N 0.81 3.34 -1.25 2.79 4.07 0.13 -4.84 120.64 125.69 1gh8 n GLU 81 Ca -0.10 -3.28 -0.30 0.00 -0.06 0.00 0.00 57.16 53.42 1gh8 n GLU 81 Cb 0.52 -3.09 -0.07 0.00 -0.06 0.00 0.00 31.44 28.74 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 4.23 3.94 -0.65 6.31 0.31 -1.26 -3.35 118.33 127.85 1gh8 n VAL 82 Ca 0.44 -2.35 0.00 0.00 -0.01 0.00 0.00 64.34 62.42 1gh8 n VAL 82 Cb 0.39 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 3.08 0.01 -3.00 2.52 -1.04 -1.26 -5.07 114.28 109.53 1gh8 n THR 83 Ca 0.66 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 62.09 1gh8 n THR 83 Cb 0.45 1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 70.54 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 -0.01 6.95 -0.06 8.00 2.15 -1.17 -5.02 116.67 127.51 1gh8 s ASP 84 Ca 0.00 1.15 -0.18 0.00 0.43 0.00 0.00 52.55 53.95 1gh8 s ASP 84 Cb 0.00 -2.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1gh8 s ASP 84 CO 0.00 -0.23 0.40 0.54 -0.17 0.00 0.00 175.17 175.72 1gh8 s VAL 85 N 1.36 0.03 -0.30 1.11 0.11 -1.26 0.14 120.40 121.59 1gh8 s VAL 85 Ca 0.37 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1gh8 s VAL 85 Cb -0.17 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 34.10 1gh8 s VAL 85 CO 0.16 -0.15 0.10 -0.13 -3.33 0.00 0.00 175.10 171.74 1gh8 s ARG 86 N -0.91 0.61 -1.18 1.54 3.00 0.15 -4.95 118.95 117.19 1gh8 s ARG 86 Ca -0.10 -0.91 -0.19 0.00 0.00 0.00 0.00 55.73 54.53 1gh8 s ARG 86 Cb -0.04 -1.83 0.08 0.00 0.00 0.00 0.00 34.95 33.16 1gh8 s ARG 86 CO 0.04 -0.97 1.58 1.03 0.00 0.00 0.00 175.30 176.98 1gh8 s ARG 87 N 1.73 3.87 -0.95 3.54 1.81 -1.26 -1.32 118.95 126.37 1gh8 s ARG 87 Ca 0.09 -1.82 -0.23 0.00 -1.72 0.00 0.00 55.73 52.04 1gh8 s ARG 87 Cb -0.17 -5.38 0.05 0.00 -0.45 0.00 0.00 34.95 29.00 1gh8 s ARG 87 CO -0.26 -2.14 1.37 -0.51 -0.68 0.00 0.00 175.30 173.08 1gh8 s LEU 88 N 3.96 3.60 0.00 2.53 1.43 -0.90 -5.02 118.68 124.29 1gh8 s LEU 88 Ca 0.49 -1.30 0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1gh8 s LEU 88 Cb 0.01 -2.55 0.85 0.00 0.03 0.00 0.00 46.19 44.54 1gh8 s LEU 88 CO 0.01 -1.53 1.63 1.15 0.23 0.00 0.00 176.35 177.84