#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 3.86 -5.12 0.00 0.26 -4.67 105.19 99.52 1gh8 n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 6.75 -0.22 1.61 -4.77 -0.05 -4.73 116.67 115.26 1gh8 s ASP 3 Ca 0.00 1.03 -0.12 0.00 -3.30 0.00 0.00 52.55 50.16 1gh8 s ASP 3 Cb 0.00 -2.27 -0.05 0.00 -1.09 0.00 0.00 42.92 39.51 1gh8 s ASP 3 CO 0.00 0.02 0.23 -0.69 0.70 0.00 0.00 175.17 175.43 1gh8 s VAL 4 N -1.63 5.32 -0.31 2.11 1.01 0.13 -1.38 120.40 125.65 1gh8 s VAL 4 Ca 0.42 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1gh8 s VAL 4 Cb -0.13 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1gh8 s VAL 4 CO 0.20 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.96 1gh8 s VAL 5 N 1.03 3.11 0.44 2.92 1.01 0.09 -1.44 120.40 127.56 1gh8 s VAL 5 Ca 0.11 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1gh8 s VAL 5 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1gh8 s VAL 5 CO 0.05 -0.13 0.64 0.00 0.00 0.00 0.00 175.10 175.66 1gh8 s ALA 6 N 1.27 3.88 -0.04 5.51 0.00 -0.99 0.06 121.76 131.45 1gh8 s ALA 6 Ca -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1gh8 s ALA 6 Cb -0.20 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1gh8 s ALA 6 CO -0.01 -0.36 0.09 0.99 0.00 0.00 0.00 175.76 176.47 1gh8 s THR 7 N -2.50 -0.04 -0.27 0.00 2.01 0.26 -1.04 115.64 114.05 1gh8 s THR 7 Ca 0.49 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1gh8 s THR 7 Cb -0.10 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.33 1gh8 s THR 7 CO 0.37 0.06 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 1gh8 s ILE 8 N 0.84 1.77 -0.68 1.82 -1.09 -0.66 -3.04 121.20 120.18 1gh8 s ILE 8 Ca -0.07 -1.58 -0.17 0.00 -2.23 0.00 0.00 60.65 56.60 1gh8 s ILE 8 Cb -0.09 -2.09 0.14 0.00 -1.58 0.00 0.00 42.46 38.84 1gh8 s ILE 8 CO -0.03 -0.25 0.72 -0.54 -1.23 0.00 0.00 174.94 173.61 1gh8 s LYS 9 N 1.24 3.23 -0.05 2.79 -0.14 -1.22 -0.20 119.74 125.40 1gh8 s LYS 9 Ca -0.01 -1.74 -0.14 0.00 -1.36 0.00 0.00 55.97 52.72 1gh8 s LYS 9 Cb -0.19 -4.39 -0.05 0.00 -1.68 0.00 0.00 37.83 31.52 1gh8 s LYS 9 CO -0.08 -1.46 0.36 0.14 -0.76 0.00 0.00 175.35 173.54 1gh8 s VAL 10 N 1.83 5.16 -0.13 3.17 -7.23 -0.68 0.32 120.40 122.83 1gh8 s VAL 10 Ca 0.14 0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 60.96 1gh8 s VAL 10 Cb -0.20 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.14 1gh8 s VAL 10 CO -0.00 0.53 0.28 0.00 -0.31 0.00 0.00 175.10 175.60 1gh8 s MET 11 N -0.69 0.18 -0.03 4.82 0.23 -1.10 -0.74 119.30 121.96 1gh8 s MET 11 Ca 0.21 0.74 -0.30 0.00 -1.03 0.00 0.00 55.69 55.32 1gh8 s MET 11 Cb -0.15 -0.01 -0.05 0.00 -1.53 0.00 0.00 34.83 33.08 1gh8 s MET 11 CO 0.10 -0.26 1.40 -2.14 -2.03 0.00 0.00 175.02 172.09 1gh8 s PRO 12 N 2.24 4.27 0.49 3.16 0.02 -1.26 -2.22 135.00 141.70 1gh8 s PRO 12 Ca -0.01 1.94 0.16 0.00 0.02 0.00 0.00 61.00 63.12 1gh8 s PRO 12 Cb -0.12 -3.63 1.19 0.00 0.02 0.00 0.00 34.50 31.95 1gh8 s PRO 12 CO -0.09 -0.61 2.06 0.93 -0.33 0.00 0.00 177.00 178.96 1gh8 h GLU 13 N 8.03 0.17 -7.08 5.54 5.08 -1.36 -3.43 114.58 121.52 1gh8 h GLU 13 Ca -0.37 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.53 1gh8 h GLU 13 Cb 1.17 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1gh8 h GLU 13 CO 0.91 0.11 0.36 -1.12 -1.00 0.00 0.00 179.01 178.28 1gh8 s SER 14 N -6.62 6.61 0.00 1.42 0.01 -1.26 -4.92 113.70 108.93 1gh8 s SER 14 Ca -0.06 1.78 0.10 0.00 1.31 0.00 0.00 55.95 59.08 1gh8 s SER 14 Cb 0.18 -2.55 0.49 0.00 0.21 0.00 0.00 66.02 64.36 1gh8 s SER 14 CO 0.71 -0.59 1.23 -0.81 0.41 0.00 0.00 173.24 174.19 1gh8 n PRO 15 N -0.93 0.12 -0.82 12.44 -0.04 -1.26 -2.59 135.00 141.92 1gh8 n PRO 15 Ca 0.08 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.59 1gh8 n PRO 15 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.33 4.74 -4.57 3.54 2.03 -1.26 -4.86 116.55 114.85 1gh8 n ASP 16 Ca 0.04 -3.04 -0.24 0.00 0.52 0.00 0.00 54.79 52.07 1gh8 n ASP 16 Cb 0.09 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 39.59 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gh8 s VAL 17 N -2.25 3.39 -0.40 5.18 0.11 -1.07 -4.90 120.40 120.45 1gh8 s VAL 17 Ca 0.35 -0.52 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 1gh8 s VAL 17 Cb 0.28 -4.14 -0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1gh8 s VAL 17 CO 0.04 -0.75 1.62 -1.81 -3.33 0.00 0.00 175.10 170.86 1gh8 s ASP 18 N 7.74 6.04 0.15 3.54 1.11 -1.26 -4.79 116.67 129.21 1gh8 s ASP 18 Ca 0.73 0.95 -0.14 0.00 0.18 0.00 0.00 52.55 54.27 1gh8 s ASP 18 Cb -0.05 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.45 1gh8 s ASP 18 CO 0.09 -1.65 1.70 0.17 1.18 0.00 0.00 175.17 176.65 1gh8 h LEU 19 N 13.26 0.71 -0.50 1.23 8.10 -1.90 0.33 115.31 136.53 1gh8 h LEU 19 Ca -0.30 -0.18 -0.14 0.00 0.11 0.00 0.00 57.88 57.37 1gh8 h LEU 19 Cb 1.14 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.16 1gh8 h LEU 19 CO 1.08 0.69 -0.31 -0.08 -4.11 0.00 0.00 178.44 175.72 1gh8 h GLU 20 N 0.68 0.90 -0.25 0.17 4.57 -1.99 0.32 114.58 118.98 1gh8 h GLU 20 Ca 0.17 -0.43 -0.14 0.00 -1.18 0.00 0.00 59.36 57.78 1gh8 h GLU 20 Cb 0.22 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1gh8 h GLU 20 CO -0.01 1.08 -0.43 0.00 -1.18 0.00 0.00 179.01 178.46 1gh8 h ALA 21 N 0.88 0.78 -0.23 2.92 0.00 -1.93 -2.48 119.26 119.19 1gh8 h ALA 21 Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1gh8 h ALA 21 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1gh8 h ALA 21 CO 0.08 0.66 -0.21 1.25 0.00 0.00 0.00 179.25 181.03 1gh8 h LEU 22 N 0.50 0.41 -0.47 0.00 5.85 0.02 -2.17 115.31 119.45 1gh8 h LEU 22 Ca 0.04 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1gh8 h LEU 22 Cb 0.96 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1gh8 h LEU 22 CO 0.09 0.64 0.28 0.11 -0.34 0.00 0.00 178.44 179.21 1gh8 h LYS 23 N 0.38 0.54 -0.44 1.25 1.57 0.08 0.59 116.57 120.54 1gh8 h LYS 23 Ca 0.06 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1gh8 h LYS 23 Cb 0.58 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1gh8 h LYS 23 CO 0.04 0.36 -0.29 1.57 -0.57 0.00 0.00 179.45 180.56 1gh8 h LYS 24 N 0.56 0.97 0.00 3.15 2.10 -1.31 -2.75 116.57 119.29 1gh8 h LYS 24 Ca 0.19 -0.46 -0.06 0.00 -2.00 0.00 0.00 60.65 58.33 1gh8 h LYS 24 Cb 0.02 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1gh8 h LYS 24 CO -0.09 1.12 -0.28 0.93 -2.00 0.00 0.00 179.45 179.14 1gh8 h GLU 25 N 0.82 0.00 -0.49 0.07 4.39 -0.81 -2.80 114.58 115.75 1gh8 h GLU 25 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1gh8 h GLU 25 Cb 0.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1gh8 h GLU 25 CO 0.08 0.28 0.24 0.82 -1.16 0.00 0.00 179.01 179.27 1gh8 h ILE 26 N 0.00 1.19 -0.69 3.13 2.04 0.46 -1.49 117.51 122.15 1gh8 h ILE 26 Ca -0.00 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1gh8 h ILE 26 Cb 0.52 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1gh8 h ILE 26 CO 0.04 0.20 0.46 1.56 0.00 0.00 0.00 178.15 180.41 1gh8 h GLN 27 N 0.64 0.88 0.00 2.37 4.20 -1.38 -1.49 115.11 120.33 1gh8 h GLN 27 Ca 0.17 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1gh8 h GLN 27 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1gh8 h GLN 27 CO -0.02 0.58 -0.30 0.93 -0.67 0.00 0.00 178.83 179.35 1gh8 h GLU 28 N 0.91 0.00 0.00 1.46 5.08 -1.42 -3.10 114.58 117.51 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1gh8 h GLU 28 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1gh8 h GLU 28 CO -0.06 0.30 -0.57 2.89 -1.00 0.00 0.00 179.01 180.57 1gh8 n ARG 29 N -3.30 0.25 -1.74 2.33 1.85 -0.60 -4.91 116.66 110.55 1gh8 n ARG 29 Ca 0.01 0.08 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 1gh8 n ARG 29 Cb 0.55 -1.67 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.04 1.36 -1.71 8.89 2.08 -0.69 -4.76 119.36 122.49 1gh8 n ILE 30 Ca 0.04 -0.34 -0.43 0.00 0.56 0.00 0.00 62.75 62.58 1gh8 n ILE 30 Cb 0.43 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.43 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 1.53 2.63 0.00 0.38 -0.04 -1.26 -4.83 135.00 133.41 1gh8 n PRO 31 Ca 0.07 0.95 0.01 0.00 -0.04 0.00 0.00 63.50 64.48 1gh8 n PRO 31 Cb 0.36 -2.76 0.05 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.43 0.05 -0.06 0.54 4.71 -1.26 -3.04 120.64 125.01 1gh8 n GLU 32 Ca 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.27 1gh8 n GLU 32 Cb 0.34 -1.47 -0.02 0.00 -1.01 0.00 0.00 31.44 29.28 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 33 N 0.25 0.00 0.00 0.62 0.00 -1.78 -3.47 103.07 98.69 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 -4.72 0.00 -4.25 4.70 -1.04 -1.17 -4.78 114.28 103.01 1gh8 n THR 34 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.84 1gh8 n THR 34 Cb 0.11 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.52 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 4.01 1.22 0.64 -2.82 0.41 -1.26 -4.80 118.70 116.09 1gh8 s GLU 35 Ca 0.00 -1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 52.82 1gh8 s GLU 35 Cb 0.00 -0.09 0.15 0.00 -1.78 0.00 0.00 34.13 32.42 1gh8 s GLU 35 CO 0.00 -0.26 0.71 1.47 -0.49 0.00 0.00 175.26 176.69 1gh8 n LEU 36 N -0.31 0.00 0.00 1.80 -0.00 -1.26 -3.45 117.00 113.78 1gh8 n LEU 36 Ca -0.02 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.22 1gh8 n LEU 36 Cb 0.65 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 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 -3.46 0.00 -3.64 1.47 -0.00 0.23 -3.39 115.22 106.42 1gh8 n HIS 37 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.73 1gh8 n HIS 37 Cb 0.34 0.12 -0.07 0.00 -0.00 0.00 0.00 29.99 30.38 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 -0.41 0.71 0.39 1.57 -0.14 -1.23 -4.96 119.74 115.68 1gh8 s LYS 38 Ca 0.00 1.15 -0.00 0.00 -1.36 0.00 0.00 55.97 55.76 1gh8 s LYS 38 Cb 0.00 0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 36.31 1gh8 s LYS 38 CO 0.00 -0.14 0.61 0.42 -0.76 0.00 0.00 175.35 175.48 1gh8 s ILE 39 N 1.36 4.78 -0.11 2.17 1.01 -1.26 -1.62 121.20 127.54 1gh8 s ILE 39 Ca -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1gh8 s ILE 39 Cb -0.05 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1gh8 s ILE 39 CO -0.15 -0.53 -0.11 -0.62 0.00 0.00 0.00 174.94 173.53 1gh8 s ASP 40 N -4.09 2.20 -1.34 3.58 2.15 -0.43 -4.85 116.67 113.89 1gh8 s ASP 40 Ca 0.43 -0.35 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 1gh8 s ASP 40 Cb -0.10 -0.94 0.12 0.00 -0.30 0.00 0.00 42.92 41.70 1gh8 s ASP 40 CO 0.37 -0.05 1.97 -0.62 -0.17 0.00 0.00 175.17 176.68 1gh8 n GLU 41 N 4.50 3.31 -3.75 4.34 1.02 -1.26 -0.98 120.64 127.81 1gh8 n GLU 41 Ca -0.17 -3.20 -0.37 0.00 -0.02 0.00 0.00 57.16 53.41 1gh8 n GLU 41 Cb 0.51 -3.09 -0.07 0.00 -0.02 0.00 0.00 31.44 28.77 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 1.66 3.79 0.42 3.49 2.02 -0.34 -4.93 118.70 124.81 1gh8 s GLU 42 Ca 0.43 -0.05 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 1gh8 s GLU 42 Cb 0.10 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1gh8 s GLU 42 CO -0.03 0.58 0.74 -1.25 0.02 0.00 0.00 175.26 175.33 1gh8 s PRO 43 N -0.50 3.65 0.00 0.39 0.04 -1.26 0.13 135.00 137.44 1gh8 s PRO 43 Ca 0.15 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1gh8 s PRO 43 Cb -0.12 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1gh8 s PRO 43 CO 0.04 -0.08 0.00 -0.89 0.04 0.00 0.00 177.00 176.11 1gh8 n ILE 44 N -1.70 0.00 0.00 0.56 2.08 0.19 -4.74 119.36 115.75 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 0.55 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 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 -1.55 0.00 0.11 -1.39 0.00 -1.13 -4.88 120.51 111.67 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 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.01 0.17 0.00 0.00 -0.00 -2.03 -3.38 116.94 111.68 1gh8 h PHE 46 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.97 57.91 1gh8 h PHE 46 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 35.92 1gh8 h PHE 46 CO 0.00 0.67 0.00 0.41 -0.00 0.00 0.00 178.31 179.39 1gh8 n GLY 47 N 0.14 -0.15 3.44 6.09 0.00 -1.26 -5.05 105.19 108.39 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 4.75 -0.14 0.99 1.43 -1.26 -4.94 118.68 119.51 1gh8 s LEU 48 Ca 0.00 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 1gh8 s LEU 48 Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1gh8 s LEU 48 CO 0.00 -1.19 0.42 -0.69 0.23 0.00 0.00 176.35 175.12 1gh8 s VAL 49 N 3.32 5.22 0.25 -1.59 1.01 -1.26 -0.64 120.40 126.72 1gh8 s VAL 49 Ca 0.19 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1gh8 s VAL 49 Cb -0.19 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1gh8 s VAL 49 CO 0.11 0.34 0.46 0.00 0.00 0.00 0.00 175.10 176.01 1gh8 s ALA 50 N 0.64 3.76 -0.23 5.51 0.00 0.36 -4.75 121.76 127.04 1gh8 s ALA 50 Ca 0.23 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 1gh8 s ALA 50 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.91 1gh8 s ALA 50 CO 0.08 0.29 -0.07 -0.51 0.00 0.00 0.00 175.76 175.54 1gh8 s LEU 51 N -3.61 2.89 -0.85 0.00 1.02 0.08 -1.20 118.68 117.01 1gh8 s LEU 51 Ca 0.40 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.73 1gh8 s LEU 51 Cb -0.11 -1.67 0.12 0.00 0.02 0.00 0.00 46.19 44.56 1gh8 s LEU 51 CO 0.31 -0.06 1.06 0.20 0.02 0.00 0.00 176.35 177.87 1gh8 s ASN 52 N 1.39 6.52 -0.55 2.29 0.02 -0.15 -1.69 114.94 122.77 1gh8 s ASN 52 Ca 0.04 -1.82 -0.24 0.00 -1.02 0.00 0.00 52.86 49.81 1gh8 s ASN 52 Cb -0.15 -2.39 0.04 0.00 0.02 0.00 0.00 41.25 38.77 1gh8 s ASN 52 CO -0.05 -1.12 0.93 -0.69 0.02 0.00 0.00 177.10 176.19 1gh8 s VAL 53 N 2.87 4.40 0.66 1.60 1.01 0.72 -1.31 120.40 130.35 1gh8 s VAL 53 Ca 0.29 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 1gh8 s VAL 53 Cb -0.09 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 31.79 1gh8 s VAL 53 CO -0.05 -1.10 0.99 -0.04 0.00 0.00 0.00 175.10 174.90 1gh8 s MET 54 N 3.91 2.62 -0.03 2.72 -1.94 -0.64 -1.65 119.30 124.29 1gh8 s MET 54 Ca 0.30 0.01 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1gh8 s MET 54 Cb -0.13 -2.17 0.03 0.00 2.01 0.00 0.00 34.83 34.57 1gh8 s MET 54 CO 0.19 -0.99 0.02 0.14 -0.01 0.00 0.00 175.02 174.38 1gh8 s VAL 55 N -3.17 0.06 -0.45 -6.03 -7.23 -0.21 0.74 120.40 104.11 1gh8 s VAL 55 Ca 0.57 0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 60.75 1gh8 s VAL 55 Cb -0.11 -0.20 0.04 0.00 0.56 0.00 0.00 36.38 36.67 1gh8 s VAL 55 CO 0.46 0.14 0.51 0.54 -0.31 0.00 0.00 175.10 176.45 1gh8 s VAL 56 N 1.30 5.01 0.31 1.32 0.11 -1.22 -2.34 120.40 124.88 1gh8 s VAL 56 Ca -0.06 -0.40 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1gh8 s VAL 56 Cb -0.13 -4.14 -0.06 0.00 -1.53 0.00 0.00 36.38 30.51 1gh8 s VAL 56 CO -0.03 -0.57 -0.02 0.68 -3.33 0.00 0.00 175.10 171.84 1gh8 s VAL 57 N 2.32 1.58 0.00 2.04 -7.23 -0.52 -4.55 120.40 114.04 1gh8 s VAL 57 Ca 0.14 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1gh8 s VAL 57 Cb -0.18 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1gh8 s VAL 57 CO 0.13 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1gh8 n GLY 58 N -0.67 -2.30 0.07 2.32 0.00 -1.26 -0.70 105.19 102.65 1gh8 n GLY 58 Ca -0.04 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.05 0.21 -2.81 1.61 8.00 -1.26 -4.80 116.55 116.46 1gh8 n ASP 59 Ca 0.00 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1gh8 n ASP 59 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.72 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.66 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.03 0.00 0.28 -1.26 -5.01 120.64 114.62 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 0.40 0.00 -1.84 0.00 -1.26 -3.83 105.19 98.67 1gh8 n GLY 62 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.28 -0.80 0.00 -0.02 0.00 -1.26 -2.39 105.19 101.00 1gh8 n GLY 63 Ca 0.01 -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 -1.28 0.27 0.22 2.61 -2.24 -1.25 -2.35 114.28 110.26 1gh8 n THR 64 Ca 0.08 0.07 0.18 0.00 -2.27 0.00 0.00 64.05 62.10 1gh8 n THR 64 Cb 0.12 -0.72 0.84 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 -0.22 -0.78 4.11 -1.82 0.19 114.58 116.06 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 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 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 2.02 0.65 1.06 0.00 -1.82 -2.04 119.26 120.72 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 0.66 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1gh8 h ALA 66 CO -0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 179.25 178.63 1gh8 h ALA 67 N 1.83 -0.87 -0.55 0.00 0.00 -1.24 0.11 119.26 118.54 1gh8 h ALA 67 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gh8 h ALA 67 Cb 0.48 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 67 CO -0.00 -0.98 0.37 0.93 0.00 0.00 0.00 179.25 179.57 1gh8 h GLU 68 N -0.90 0.60 0.19 0.00 5.08 -1.57 -0.87 114.58 117.12 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 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1gh8 h GLU 68 CO 0.15 0.40 -0.09 1.49 -1.00 0.00 0.00 179.01 179.95 1gh8 h GLU 69 N 0.62 -0.25 0.00 2.33 4.81 -0.85 -1.79 114.58 119.45 1gh8 h GLU 69 Ca 0.22 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1gh8 h GLU 69 Cb 0.12 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1gh8 h GLU 69 CO -0.06 -0.14 0.00 1.03 -0.73 0.00 0.00 179.01 179.11 1gh8 h SER 70 N -0.29 0.00 0.73 1.04 0.87 -0.11 -1.59 113.55 114.19 1gh8 h SER 70 Ca -0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 1gh8 h SER 70 Cb 0.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1gh8 h SER 70 CO 0.04 0.00 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.71 1gh8 h LEU 71 N 0.00 0.00 -0.42 2.23 -0.00 -0.30 0.50 115.31 117.32 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1gh8 h LEU 71 CO 0.00 0.57 0.00 -0.24 -0.00 0.00 0.00 178.44 178.77 1gh8 n SER 72 N -3.69 0.25 -0.88 -0.43 2.88 -0.60 -2.91 113.62 108.24 1gh8 n SER 72 Ca -0.01 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1gh8 n SER 72 Cb 0.61 -0.63 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.71 0.75 0.00 0.46 0.00 -1.02 -5.12 105.19 99.54 1gh8 n GLY 73 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.12 0.00 -1.53 -0.61 3.06 0.17 -4.77 119.36 115.80 1gh8 n ILE 74 Ca -0.07 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.87 1gh8 n ILE 74 Cb 0.75 -1.33 -0.10 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 0.48 0.26 9.51 4.71 -1.26 -4.75 120.64 129.14 1gh8 n GLU 75 Ca 0.00 -0.17 0.10 0.00 -0.01 0.00 0.00 57.16 57.08 1gh8 n GLU 75 Cb 0.00 -2.55 0.70 0.00 -1.01 0.00 0.00 31.44 28.58 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 16.66 0.00 0.83 0.62 0.00 -1.96 -2.60 103.07 116.62 1gh8 h GLY 76 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.89 1gh8 h GLY 76 CO 1.27 0.00 -1.83 -0.24 0.00 0.00 0.00 176.54 175.74 1gh8 h VAL 77 N 0.00 0.80 -3.32 4.60 3.04 -1.95 -3.42 116.25 116.01 1gh8 h VAL 77 Ca -0.00 -2.50 -0.75 0.00 -1.01 0.00 0.00 66.70 62.44 1gh8 h VAL 77 Cb 0.19 2.59 -0.23 0.00 -2.01 0.00 0.00 31.29 31.83 1gh8 h VAL 77 CO 0.01 0.82 0.36 -0.44 -1.01 0.00 0.00 177.57 177.32 1gh8 s SER 78 N -6.96 6.72 0.14 3.17 0.01 -0.98 -0.82 113.70 114.97 1gh8 s SER 78 Ca -0.16 -2.46 -0.30 0.00 1.31 0.00 0.00 55.95 54.33 1gh8 s SER 78 Cb 0.07 -2.28 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 1gh8 s SER 78 CO 0.81 -0.75 1.04 0.21 0.41 0.00 0.00 173.24 174.96 1gh8 s ASN 79 N 2.68 7.36 0.02 2.44 3.04 -0.94 -4.42 114.94 125.12 1gh8 s ASN 79 Ca 0.23 1.94 -0.01 0.00 0.04 0.00 0.00 52.86 55.07 1gh8 s ASN 79 Cb -0.08 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1gh8 s ASN 79 CO -0.09 -0.17 0.16 -0.63 -3.04 0.00 0.00 177.10 173.33 1gh8 s ILE 80 N -0.02 5.17 -1.34 -5.21 1.01 -1.26 -2.73 121.20 116.82 1gh8 s ILE 80 Ca 0.49 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 1gh8 s ILE 80 Cb -0.26 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 38.88 1gh8 s ILE 80 CO 0.32 0.26 1.99 1.21 0.00 0.00 0.00 174.94 178.72 1gh8 n GLU 81 N 0.77 3.34 -1.12 2.79 4.07 0.15 -4.82 120.64 125.83 1gh8 n GLU 81 Ca -0.10 -3.21 -0.20 0.00 -0.06 0.00 0.00 57.16 53.59 1gh8 n GLU 81 Cb 0.52 -3.06 -0.13 0.00 -0.06 0.00 0.00 31.44 28.71 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 4.01 3.41 -0.65 6.31 0.31 -1.26 -3.36 118.33 127.10 1gh8 n VAL 82 Ca 0.44 -1.89 0.00 0.00 -0.01 0.00 0.00 64.34 62.88 1gh8 n VAL 82 Cb 0.37 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 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 2.74 0.13 -2.99 2.52 -1.04 -1.26 -5.06 114.28 109.32 1gh8 n THR 83 Ca 0.54 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.91 1gh8 n THR 83 Cb 0.71 1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 70.52 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 -0.13 7.07 -0.05 8.00 -1.08 -1.17 -5.02 116.67 124.30 1gh8 s ASP 84 Ca 0.00 1.29 -0.12 0.00 -0.52 0.00 0.00 52.55 53.21 1gh8 s ASP 84 Cb 0.00 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 39.04 1gh8 s ASP 84 CO 0.00 -0.12 0.27 0.54 0.52 0.00 0.00 175.17 176.38 1gh8 s VAL 85 N 0.71 0.04 -0.33 1.11 0.11 -1.26 -0.57 120.40 120.20 1gh8 s VAL 85 Ca 0.40 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1gh8 s VAL 85 Cb -0.19 -0.50 0.15 0.00 -1.53 0.00 0.00 36.38 34.32 1gh8 s VAL 85 CO 0.20 -0.18 0.37 -0.60 -3.33 0.00 0.00 175.10 171.56 1gh8 s ARG 86 N -0.75 0.51 -0.55 1.54 3.52 0.11 -4.94 118.95 118.38 1gh8 s ARG 86 Ca -0.08 -0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 54.85 1gh8 s ARG 86 Cb -0.04 -0.57 0.04 0.00 -1.56 0.00 0.00 34.95 32.81 1gh8 s ARG 86 CO 0.02 -1.11 0.98 1.03 -0.81 0.00 0.00 175.30 175.41 1gh8 s ARG 87 N 1.95 3.38 -0.98 5.12 3.00 -1.26 -0.73 118.95 129.43 1gh8 s ARG 87 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 55.73 55.52 1gh8 s ARG 87 Cb -0.14 -4.04 0.11 0.00 0.00 0.00 0.00 34.95 30.89 1gh8 s ARG 87 CO -0.18 -1.50 1.25 -0.51 0.00 0.00 0.00 175.30 174.36 1gh8 s LEU 88 N 4.11 4.60 0.00 2.53 1.43 -0.48 -4.95 118.68 125.92 1gh8 s LEU 88 Ca 0.33 -1.95 0.26 0.00 -1.03 0.00 0.00 54.13 51.74 1gh8 s LEU 88 Cb -0.11 -2.45 0.70 0.00 0.03 0.00 0.00 46.19 44.35 1gh8 s LEU 88 CO 0.21 -1.17 1.55 0.80 0.23 0.00 0.00 176.35 177.97