#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 3.85 -5.12 0.00 0.23 -4.68 105.19 99.47 1gh8 n GLY 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gh8 s ASP 3 N 0.00 6.81 -0.38 1.61 -4.77 0.08 -4.76 116.67 115.25 1gh8 s ASP 3 Ca 0.00 1.08 -0.16 0.00 -3.30 0.00 0.00 52.55 50.17 1gh8 s ASP 3 Cb 0.00 -2.29 0.01 0.00 -1.09 0.00 0.00 42.92 39.55 1gh8 s ASP 3 CO 0.00 0.07 0.39 -0.69 0.70 0.00 0.00 175.17 175.64 1gh8 s VAL 4 N -1.53 5.14 -0.20 2.11 1.01 -0.61 -1.91 120.40 124.42 1gh8 s VAL 4 Ca 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1gh8 s VAL 4 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1gh8 s VAL 4 CO 0.19 -0.26 -0.06 -0.69 0.00 0.00 0.00 175.10 174.29 1gh8 s VAL 5 N 2.05 3.38 0.43 2.92 1.01 -0.40 -1.53 120.40 128.25 1gh8 s VAL 5 Ca 0.11 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1gh8 s VAL 5 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1gh8 s VAL 5 CO 0.12 0.45 0.60 0.00 0.00 0.00 0.00 175.10 176.27 1gh8 s ALA 6 N 1.15 4.17 -0.05 5.51 0.00 -0.92 0.67 121.76 132.29 1gh8 s ALA 6 Ca 0.02 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1gh8 s ALA 6 Cb -0.14 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1gh8 s ALA 6 CO -0.01 -0.32 0.10 0.99 0.00 0.00 0.00 175.76 176.52 1gh8 s THR 7 N -2.42 -0.09 -0.26 0.00 2.01 -0.70 -1.50 115.64 112.67 1gh8 s THR 7 Ca 0.51 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1gh8 s THR 7 Cb -0.10 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.29 1gh8 s THR 7 CO 0.34 0.10 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 1gh8 s ILE 8 N 1.41 1.95 -0.65 1.82 -1.09 -0.85 -3.01 121.20 120.77 1gh8 s ILE 8 Ca -0.06 -1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 56.60 1gh8 s ILE 8 Cb -0.12 -2.17 0.15 0.00 -1.58 0.00 0.00 42.46 38.74 1gh8 s ILE 8 CO -0.05 -0.14 0.65 -0.54 -1.23 0.00 0.00 174.94 173.63 1gh8 s LYS 9 N 1.18 3.20 -0.03 2.79 -0.14 -1.21 0.08 119.74 125.61 1gh8 s LYS 9 Ca -0.05 -1.84 -0.18 0.00 -1.36 0.00 0.00 55.97 52.54 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 -1.39 0.49 0.14 -0.76 0.00 0.00 175.35 173.77 1gh8 s VAL 10 N 1.49 5.02 -0.09 3.17 -7.23 -0.59 0.32 120.40 122.48 1gh8 s VAL 10 Ca 0.11 1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 61.24 1gh8 s VAL 10 Cb -0.22 -3.82 0.05 0.00 0.56 0.00 0.00 36.38 32.95 1gh8 s VAL 10 CO -0.00 0.46 0.20 0.00 -0.31 0.00 0.00 175.10 175.45 1gh8 s MET 11 N -0.31 0.12 0.06 4.82 0.23 -1.04 -0.73 119.30 122.45 1gh8 s MET 11 Ca 0.27 0.55 -0.31 0.00 -1.03 0.00 0.00 55.69 55.16 1gh8 s MET 11 Cb -0.17 -0.15 -0.06 0.00 -1.53 0.00 0.00 34.83 32.91 1gh8 s MET 11 CO 0.14 -0.23 1.32 -2.14 -2.03 0.00 0.00 175.02 172.08 1gh8 s PRO 12 N 1.75 4.35 0.38 3.16 0.02 -1.26 -1.86 135.00 141.53 1gh8 s PRO 12 Ca -0.04 1.93 0.07 0.00 0.02 0.00 0.00 61.00 62.98 1gh8 s PRO 12 Cb -0.11 -3.38 0.79 0.00 0.02 0.00 0.00 34.50 31.81 1gh8 s PRO 12 CO -0.07 -0.42 1.99 0.93 -0.33 0.00 0.00 177.00 179.09 1gh8 h GLU 13 N 7.12 0.67 -7.20 5.54 4.39 -1.19 -3.43 114.58 120.47 1gh8 h GLU 13 Ca -0.40 -0.04 -0.48 0.00 0.34 0.00 0.00 59.36 58.78 1gh8 h GLU 13 Cb 1.20 -0.15 0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1gh8 h GLU 13 CO 0.86 0.44 0.38 -1.12 -1.16 0.00 0.00 179.01 178.41 1gh8 s SER 14 N -6.33 6.41 0.00 1.42 0.01 -1.26 -4.93 113.70 109.02 1gh8 s SER 14 Ca -0.09 1.61 0.15 0.00 1.31 0.00 0.00 55.95 58.94 1gh8 s SER 14 Cb 0.19 -2.51 0.84 0.00 0.21 0.00 0.00 66.02 64.75 1gh8 s SER 14 CO 0.76 -0.73 1.39 -0.81 0.41 0.00 0.00 173.24 174.26 1gh8 n PRO 15 N -1.76 0.34 -1.22 12.44 -0.04 -1.26 -3.26 135.00 140.24 1gh8 n PRO 15 Ca 0.07 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1gh8 n PRO 15 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.16 6.57 -4.41 3.54 -0.08 -1.26 -4.89 116.55 114.86 1gh8 n ASP 16 Ca 0.09 -3.19 -0.24 0.00 -1.51 0.00 0.00 54.79 49.94 1gh8 n ASP 16 Cb 0.09 -1.14 -0.10 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 0.50 0.74 -2.05 5.18 0.31 -1.20 -4.86 118.33 116.95 1gh8 n VAL 17 Ca 0.42 -0.75 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 1gh8 n VAL 17 Cb 0.57 -2.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 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 7.51 5.22 0.16 4.52 1.47 -1.26 -4.82 116.67 129.46 1gh8 s ASP 18 Ca 0.75 -0.17 -0.14 0.00 1.18 0.00 0.00 52.55 54.17 1gh8 s ASP 18 Cb -0.00 -2.54 0.04 0.00 -0.34 0.00 0.00 42.92 40.07 1gh8 s ASP 18 CO 0.19 -2.55 1.72 0.17 0.68 0.00 0.00 175.17 175.38 1gh8 h LEU 19 N 17.08 0.70 -0.60 2.11 8.10 -1.90 0.13 115.31 140.92 1gh8 h LEU 19 Ca -0.08 -0.16 -0.15 0.00 0.11 0.00 0.00 57.88 57.60 1gh8 h LEU 19 Cb 1.08 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.12 1gh8 h LEU 19 CO 1.22 0.66 -0.50 -0.08 -4.11 0.00 0.00 178.44 175.63 1gh8 h GLU 20 N 0.69 0.52 -0.34 0.17 4.81 -2.00 0.03 114.58 118.46 1gh8 h GLU 20 Ca 0.17 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1gh8 h GLU 20 Cb 0.17 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1gh8 h GLU 20 CO -0.02 0.90 -0.30 0.00 -0.73 0.00 0.00 179.01 178.86 1gh8 h ALA 21 N 1.05 0.84 0.00 2.92 0.00 -1.92 -2.31 119.26 119.83 1gh8 h ALA 21 Ca 0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1gh8 h ALA 21 Cb 1.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1gh8 h ALA 21 CO 0.09 0.64 -0.26 1.25 0.00 0.00 0.00 179.25 180.97 1gh8 h LEU 22 N 0.61 0.00 -0.45 0.00 5.85 -0.31 -2.86 115.31 118.14 1gh8 h LEU 22 Ca 0.07 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1gh8 h LEU 22 Cb 0.82 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1gh8 h LEU 22 CO 0.07 0.26 0.17 0.11 -0.34 0.00 0.00 178.44 178.70 1gh8 h LYS 23 N 0.00 0.33 -0.49 1.25 6.56 -0.41 0.59 116.57 124.40 1gh8 h LYS 23 Ca -0.00 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1gh8 h LYS 23 Cb 0.50 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 1gh8 h LYS 23 CO 0.03 0.22 0.09 0.87 -2.06 0.00 0.00 179.45 178.60 1gh8 h LYS 24 N 0.34 0.81 -0.09 3.15 1.57 -1.50 -2.59 116.57 118.25 1gh8 h LYS 24 Ca 0.21 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1gh8 h LYS 24 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1gh8 h LYS 24 CO -0.21 0.81 -0.27 0.93 -0.57 0.00 0.00 179.45 180.13 1gh8 h GLU 25 N 0.68 0.17 -0.63 3.15 5.08 -1.29 -2.81 114.58 118.94 1gh8 h GLU 25 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 25 Cb 0.38 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1gh8 h GLU 25 CO 0.01 0.43 0.33 0.82 -1.00 0.00 0.00 179.01 179.60 1gh8 h ILE 26 N 0.15 1.21 -0.81 3.13 2.04 0.54 -0.46 117.51 123.31 1gh8 h ILE 26 Ca 0.02 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1gh8 h ILE 26 Cb 0.57 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1gh8 h ILE 26 CO 0.04 0.23 0.39 1.56 0.00 0.00 0.00 178.15 180.37 1gh8 h GLN 27 N 0.86 1.16 0.00 2.37 1.08 -1.22 -1.44 115.11 117.91 1gh8 h GLN 27 Ca 0.22 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1gh8 h GLN 27 Cb 0.07 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1gh8 h GLN 27 CO -0.03 0.89 -0.08 1.05 -0.95 0.00 0.00 178.83 179.70 1gh8 h GLU 28 N 1.15 0.00 0.00 1.46 4.11 -1.37 -3.12 114.58 116.81 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 28 CO -0.04 0.08 -0.61 2.89 0.07 0.00 0.00 179.01 181.41 1gh8 n ARG 29 N -3.14 0.12 -1.78 1.06 1.85 -0.21 -4.93 116.66 109.63 1gh8 n ARG 29 Ca 0.03 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.49 1gh8 n ARG 29 Cb 0.51 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.35 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 2.03 -0.25 8.89 -1.09 -0.59 -4.75 121.20 122.37 1gh8 s ILE 30 Ca 0.09 0.03 -0.35 0.00 -2.23 0.00 0.00 60.65 58.18 1gh8 s ILE 30 Cb 0.16 -3.02 -0.12 0.00 -1.58 0.00 0.00 42.46 37.90 1gh8 s ILE 30 CO 0.72 0.01 2.02 -0.81 -1.23 0.00 0.00 174.94 175.65 1gh8 n PRO 31 N 1.20 1.49 0.00 2.79 -0.04 -1.26 -4.78 135.00 134.39 1gh8 n PRO 31 Ca 0.04 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1gh8 n PRO 31 Cb 0.38 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 7.28 0.00 0.04 0.54 1.02 -1.26 -2.49 120.64 125.77 1gh8 n GLU 32 Ca 0.32 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.25 1gh8 n GLU 32 Cb 0.25 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.33 0.00 0.62 0.00 -1.78 -3.47 103.07 98.77 1gh8 h GLY 33 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1gh8 h GLY 33 CO 0.00 0.75 0.00 2.41 0.00 0.00 0.00 176.54 179.70 1gh8 n THR 34 N -4.02 0.00 -4.30 4.70 -1.04 -1.04 -4.68 114.28 103.90 1gh8 n THR 34 Ca -0.19 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 1gh8 n THR 34 Cb 0.87 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.28 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 4.55 1.36 0.67 -2.82 -1.05 -1.26 -4.90 118.70 115.25 1gh8 s GLU 35 Ca 0.00 -1.73 -0.11 0.00 -0.15 0.00 0.00 54.97 52.98 1gh8 s GLU 35 Cb 0.00 -0.21 0.16 0.00 -0.44 0.00 0.00 34.13 33.64 1gh8 s GLU 35 CO 0.00 -0.29 0.78 1.47 0.95 0.00 0.00 175.26 178.17 1gh8 n LEU 36 N -0.42 0.00 0.00 1.83 -0.00 -1.26 -3.02 117.00 114.12 1gh8 n LEU 36 Ca -0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 1gh8 n LEU 36 Cb 0.66 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1gh8 n LEU 36 CO 0.37 -1.34 0.00 1.57 -0.00 0.00 0.00 177.39 177.99 1gh8 n HIS 37 N -3.47 0.00 -3.64 1.47 -0.00 0.19 -3.30 115.22 106.48 1gh8 n HIS 37 Ca 0.10 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.24 1gh8 n HIS 37 Cb 0.36 0.07 -0.07 0.00 -0.12 0.00 0.00 29.99 30.23 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1gh8 s LYS 38 N -0.25 0.53 0.35 1.57 2.47 -1.23 -4.97 119.74 118.21 1gh8 s LYS 38 Ca 0.00 0.92 -0.02 0.00 -1.56 0.00 0.00 55.97 55.31 1gh8 s LYS 38 Cb 0.00 0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.44 1gh8 s LYS 38 CO 0.00 -0.11 0.58 0.42 0.16 0.00 0.00 175.35 176.40 1gh8 s ILE 39 N 1.49 5.05 -0.08 5.43 1.01 -1.25 -2.37 121.20 130.48 1gh8 s ILE 39 Ca -0.09 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1gh8 s ILE 39 Cb -0.04 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1gh8 s ILE 39 CO -0.17 -0.52 -0.19 -0.62 0.00 0.00 0.00 174.94 173.43 1gh8 s ASP 40 N -3.76 2.53 -1.24 3.58 -1.08 -0.55 -4.84 116.67 111.30 1gh8 s ASP 40 Ca 0.42 -0.44 -0.09 0.00 -0.52 0.00 0.00 52.55 51.92 1gh8 s ASP 40 Cb -0.10 -1.03 0.19 0.00 -1.46 0.00 0.00 42.92 40.52 1gh8 s ASP 40 CO 0.35 0.13 1.76 -1.84 0.52 0.00 0.00 175.17 176.09 1gh8 n GLU 41 N 3.48 3.72 -4.05 4.34 0.28 -1.26 -0.93 120.64 126.22 1gh8 n GLU 41 Ca -0.20 -3.72 -0.32 0.00 -0.16 0.00 0.00 57.16 52.76 1gh8 n GLU 41 Cb 0.52 -2.87 -0.06 0.00 1.43 0.00 0.00 31.44 30.46 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 0.04 3.11 0.40 3.44 8.01 -0.43 -4.93 118.70 128.34 1gh8 s GLU 42 Ca 0.39 -0.50 -0.06 0.00 0.01 0.00 0.00 54.97 54.81 1gh8 s GLU 42 Cb 0.07 -2.88 -0.05 0.00 -4.31 0.00 0.00 34.13 26.97 1gh8 s GLU 42 CO 0.02 0.63 0.70 -1.25 0.01 0.00 0.00 175.26 175.37 1gh8 s PRO 43 N -1.95 3.62 0.00 0.39 0.04 -1.26 0.17 135.00 136.01 1gh8 s PRO 43 Ca 0.26 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1gh8 s PRO 43 Cb -0.12 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1gh8 s PRO 43 CO 0.17 -0.03 0.00 -0.89 0.04 0.00 0.00 177.00 176.29 1gh8 n ILE 44 N -1.66 0.00 0.00 0.56 2.08 0.42 -4.72 119.36 116.05 1gh8 n ILE 44 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1gh8 n ILE 44 Cb 0.55 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 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 -1.74 0.00 0.16 -1.39 0.00 -1.14 -4.88 120.51 111.52 1gh8 n ALA 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1gh8 n ALA 45 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.06 0.00 0.00 0.00 -1.00 -2.02 -3.38 116.94 110.48 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 0.50 0.00 0.41 -1.61 0.00 0.00 178.31 177.61 1gh8 n GLY 47 N 0.18 0.12 3.47 -1.45 0.00 -1.26 -5.07 105.19 101.19 1gh8 n GLY 47 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.79 -0.17 0.99 1.43 -1.26 -4.94 118.68 119.53 1gh8 s LEU 48 Ca 0.00 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1gh8 s LEU 48 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1gh8 s LEU 48 CO 0.00 -0.91 0.41 -0.69 0.23 0.00 0.00 176.35 175.40 1gh8 s VAL 49 N 2.80 5.21 0.46 -1.59 1.01 -1.26 -0.43 120.40 126.59 1gh8 s VAL 49 Ca 0.18 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1gh8 s VAL 49 Cb -0.18 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1gh8 s VAL 49 CO 0.14 0.29 0.67 0.00 0.00 0.00 0.00 175.10 176.20 1gh8 s ALA 50 N 0.97 3.92 -0.19 5.51 0.00 0.46 -4.76 121.76 127.66 1gh8 s ALA 50 Ca 0.21 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1gh8 s ALA 50 Cb -0.15 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.98 1gh8 s ALA 50 CO 0.08 -0.44 -0.18 -0.51 0.00 0.00 0.00 175.76 174.71 1gh8 s LEU 51 N -4.55 2.32 -0.87 0.00 1.02 0.09 -1.31 118.68 115.37 1gh8 s LEU 51 Ca 0.51 -0.76 -0.19 0.00 0.02 0.00 0.00 54.13 53.70 1gh8 s LEU 51 Cb -0.10 -1.47 0.12 0.00 0.02 0.00 0.00 46.19 44.76 1gh8 s LEU 51 CO 0.37 -0.04 1.08 0.20 0.02 0.00 0.00 176.35 177.98 1gh8 s ASN 52 N 1.27 6.53 -0.63 2.29 0.02 -0.11 -1.55 114.94 122.77 1gh8 s ASN 52 Ca 0.03 -1.85 -0.23 0.00 -1.02 0.00 0.00 52.86 49.78 1gh8 s ASN 52 Cb -0.14 -2.40 0.06 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.11 -1.12 0.98 -0.69 0.02 0.00 0.00 177.10 176.18 1gh8 s VAL 53 N 2.89 4.29 0.63 1.60 1.01 0.11 -1.48 120.40 129.45 1gh8 s VAL 53 Ca 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1gh8 s VAL 53 Cb -0.08 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.66 1gh8 s VAL 53 CO -0.06 -1.38 0.96 -0.04 0.00 0.00 0.00 175.10 174.58 1gh8 s MET 54 N 4.18 2.84 -0.01 2.72 -1.94 -1.00 -2.01 119.30 124.07 1gh8 s MET 54 Ca 0.26 0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1gh8 s MET 54 Cb -0.15 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.51 1gh8 s MET 54 CO 0.13 -0.83 0.01 0.14 -0.01 0.00 0.00 175.02 174.46 1gh8 s VAL 55 N -3.11 0.03 -0.32 -6.03 -7.23 -0.56 0.58 120.40 103.76 1gh8 s VAL 55 Ca 0.55 0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.65 1gh8 s VAL 55 Cb -0.11 -0.09 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 1gh8 s VAL 55 CO 0.47 0.06 0.37 -0.69 -0.31 0.00 0.00 175.10 175.00 1gh8 s VAL 56 N 0.51 5.16 0.06 1.32 1.01 -1.17 -2.17 120.40 125.12 1gh8 s VAL 56 Ca -0.04 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1gh8 s VAL 56 Cb -0.07 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1gh8 s VAL 56 CO -0.01 -0.01 -0.14 0.68 0.00 0.00 0.00 175.10 175.61 1gh8 s VAL 57 N 2.06 1.14 0.01 2.92 -7.23 -0.58 -4.26 120.40 114.46 1gh8 s VAL 57 Ca 0.13 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1gh8 s VAL 57 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1gh8 s VAL 57 CO 0.11 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1gh8 n GLY 58 N 1.52 -1.94 0.03 2.32 0.00 -1.26 -1.57 105.19 104.29 1gh8 n GLY 58 Ca -0.20 0.55 0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.19 0.13 -3.34 1.61 2.03 -1.26 -4.80 116.55 108.73 1gh8 n ASP 59 Ca 0.00 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1gh8 n ASP 59 Cb 0.00 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.21 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.26 1gh8 n ALA 60 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1gh8 n ALA 60 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.04 0.00 0.28 -1.26 -5.01 120.64 114.61 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 0.02 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 0.42 0.00 -1.84 0.00 -1.26 -3.86 105.19 98.65 1gh8 n GLY 62 Ca 0.00 -0.05 0.08 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 0.30 -0.72 0.00 -0.02 0.00 -1.26 -2.42 105.19 101.07 1gh8 n GLY 63 Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.20 0.21 0.21 2.61 -2.24 -1.25 -2.49 114.28 110.14 1gh8 n THR 64 Ca 0.09 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.11 1gh8 n THR 64 Cb 0.11 -0.70 0.83 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.20 -0.78 4.11 -1.82 -0.39 114.58 115.49 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 0.13 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 0.22 0.00 0.07 0.00 0.00 179.01 179.30 1gh8 h ALA 66 N 1.61 1.84 0.56 1.06 0.00 -1.83 -1.94 119.26 120.56 1gh8 h ALA 66 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.66 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1gh8 h ALA 66 CO -0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 179.25 178.66 1gh8 h ALA 67 N 1.75 -0.75 -0.54 0.00 0.00 -1.36 0.60 119.26 118.97 1gh8 h ALA 67 Ca 0.10 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1gh8 h ALA 67 Cb 0.53 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 67 CO -0.00 -0.89 0.36 0.93 0.00 0.00 0.00 179.25 179.65 1gh8 h GLU 68 N -0.82 0.57 0.17 0.00 5.08 -1.56 -0.80 114.58 117.22 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 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1gh8 h GLU 68 CO 0.13 0.38 -0.08 1.49 -1.00 0.00 0.00 179.01 179.92 1gh8 h GLU 69 N 0.59 -0.22 0.00 2.33 4.81 -0.97 -1.90 114.58 119.21 1gh8 h GLU 69 Ca 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1gh8 h GLU 69 Cb 0.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1gh8 h GLU 69 CO -0.06 -0.10 -0.00 0.66 -0.73 0.00 0.00 179.01 178.78 1gh8 h SER 70 N -0.30 0.00 0.76 1.04 4.64 -0.20 -1.45 113.55 118.04 1gh8 h SER 70 Ca -0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1gh8 h SER 70 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1gh8 h SER 70 CO 0.04 0.00 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.40 1gh8 h LEU 71 N 0.00 0.00 -0.76 5.97 -0.00 -0.37 0.54 115.31 120.70 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1gh8 h LEU 71 CO 0.00 0.53 0.00 -0.24 -0.00 0.00 0.00 178.44 178.73 1gh8 n SER 72 N -3.65 0.42 -0.94 -0.43 2.88 -0.54 -2.94 113.62 108.41 1gh8 n SER 72 Ca -0.01 0.65 -0.01 0.00 -1.33 0.00 0.00 58.87 58.17 1gh8 n SER 72 Cb 0.59 -0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.74 0.74 0.00 0.46 0.00 -1.02 -5.13 105.19 99.50 1gh8 n GLY 73 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.19 -4.77 119.36 115.83 1gh8 n ILE 74 Ca -0.08 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.91 1gh8 n ILE 74 Cb 0.78 -1.34 -0.12 0.00 0.54 0.00 0.00 39.64 39.50 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 -0.45 0.43 0.27 9.51 4.71 -1.26 -4.74 120.64 129.11 1gh8 n GLU 75 Ca 0.00 -0.28 0.11 0.00 -0.01 0.00 0.00 57.16 56.98 1gh8 n GLU 75 Cb 0.00 -2.56 0.73 0.00 -1.01 0.00 0.00 31.44 28.60 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 17.08 0.00 0.79 0.62 0.00 -1.96 -2.51 103.07 117.08 1gh8 h GLY 76 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.93 1gh8 h GLY 76 CO 1.27 0.00 -1.86 -0.24 0.00 0.00 0.00 176.54 175.71 1gh8 h VAL 77 N 0.00 0.77 -3.38 4.60 3.04 -1.95 -3.42 116.25 115.92 1gh8 h VAL 77 Ca -0.00 -2.47 -0.76 0.00 -1.01 0.00 0.00 66.70 62.46 1gh8 h VAL 77 Cb 0.16 2.58 -0.23 0.00 -2.01 0.00 0.00 31.29 31.79 1gh8 h VAL 77 CO 0.01 0.84 0.33 -0.44 -1.01 0.00 0.00 177.57 177.30 1gh8 s SER 78 N -6.97 6.73 0.19 3.17 0.01 -0.95 -0.54 113.70 115.34 1gh8 s SER 78 Ca -0.17 -2.50 -0.30 0.00 1.31 0.00 0.00 55.95 54.29 1gh8 s SER 78 Cb 0.07 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.95 1gh8 s SER 78 CO 0.80 -0.72 1.04 0.21 0.41 0.00 0.00 173.24 174.98 1gh8 s ASN 79 N 2.61 7.39 0.03 2.44 3.04 -0.78 -4.42 114.94 125.25 1gh8 s ASN 79 Ca 0.23 2.02 -0.00 0.00 0.04 0.00 0.00 52.86 55.15 1gh8 s ASN 79 Cb -0.08 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 1gh8 s ASN 79 CO -0.09 -0.11 0.15 -0.63 -3.04 0.00 0.00 177.10 173.38 1gh8 s ILE 80 N -0.48 5.11 -1.34 -5.21 1.09 -1.26 -2.49 121.20 116.62 1gh8 s ILE 80 Ca 0.47 -0.39 -0.11 0.00 -1.10 0.00 0.00 60.65 59.51 1gh8 s ILE 80 Cb -0.28 -3.42 0.12 0.00 -1.06 0.00 0.00 42.46 37.82 1gh8 s ILE 80 CO 0.34 0.24 1.97 1.21 -0.10 0.00 0.00 174.94 178.60 1gh8 n GLU 81 N 0.70 3.35 -1.08 2.79 2.13 0.15 -4.82 120.64 123.86 1gh8 n GLU 81 Ca -0.09 -3.23 -0.17 0.00 0.66 0.00 0.00 57.16 54.33 1gh8 n GLU 81 Cb 0.52 -3.07 -0.14 0.00 0.27 0.00 0.00 31.44 29.02 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 4.05 3.24 -0.64 6.31 0.31 -1.26 -3.34 118.33 127.00 1gh8 n VAL 82 Ca 0.44 -1.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.01 1gh8 n VAL 82 Cb 0.38 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 2.59 0.14 -3.08 2.52 -1.04 -1.26 -5.06 114.28 109.09 1gh8 n THR 83 Ca 0.49 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.05 61.88 1gh8 n THR 83 Cb 0.79 1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 70.56 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 -0.14 7.13 0.08 8.00 1.11 -1.16 -5.03 116.67 126.66 1gh8 s ASP 84 Ca 0.00 1.46 -0.11 0.00 0.18 0.00 0.00 52.55 54.09 1gh8 s ASP 84 Cb 0.00 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.56 1gh8 s ASP 84 CO 0.00 0.08 0.24 0.54 1.18 0.00 0.00 175.17 177.21 1gh8 s VAL 85 N -1.42 0.12 -0.42 -1.27 0.11 -1.26 -1.73 120.40 114.53 1gh8 s VAL 85 Ca 0.41 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1gh8 s VAL 85 Cb -0.18 -1.17 0.17 0.00 -1.53 0.00 0.00 36.38 33.67 1gh8 s VAL 85 CO 0.22 -0.53 0.45 -0.13 -3.33 0.00 0.00 175.10 171.78 1gh8 s ARG 86 N -3.38 0.82 -1.03 1.54 0.52 0.21 -4.86 118.95 112.77 1gh8 s ARG 86 Ca 0.01 -1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 1gh8 s ARG 86 Cb 0.02 -0.74 0.04 0.00 0.52 0.00 0.00 34.95 34.79 1gh8 s ARG 86 CO -0.08 -1.28 1.55 1.03 0.02 0.00 0.00 175.30 176.53 1gh8 s ARG 87 N 0.91 3.46 -1.22 3.54 1.81 -1.26 -1.27 118.95 124.92 1gh8 s ARG 87 Ca 0.25 -1.07 -0.18 0.00 -1.72 0.00 0.00 55.73 53.00 1gh8 s ARG 87 Cb -0.06 -5.33 0.08 0.00 -0.45 0.00 0.00 34.95 29.19 1gh8 s ARG 87 CO -0.08 -2.41 1.62 -0.51 -0.68 0.00 0.00 175.30 173.24 1gh8 s LEU 88 N 5.75 3.97 0.00 2.53 1.02 -0.80 -4.99 118.68 126.15 1gh8 s LEU 88 Ca 0.50 -2.31 0.27 0.00 0.02 0.00 0.00 54.13 52.62 1gh8 s LEU 88 Cb -0.01 -2.55 0.90 0.00 0.02 0.00 0.00 46.19 44.56 1gh8 s LEU 88 CO -0.07 -1.18 1.66 0.23 0.02 0.00 0.00 176.35 177.01