#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 3.93 -5.12 0.00 0.23 -4.74 105.19 99.49 1gh8 n GLY 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 6.35 -0.33 1.61 1.01 0.43 -4.69 116.67 121.05 1gh8 s ASP 3 Ca 0.00 0.45 -0.09 0.00 0.71 0.00 0.00 52.55 53.62 1gh8 s ASP 3 Cb 0.00 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.92 1gh8 s ASP 3 CO 0.00 -0.18 0.14 -0.69 0.21 0.00 0.00 175.17 174.65 1gh8 s VAL 4 N -2.11 4.23 -0.26 -1.27 1.01 -0.19 -0.73 120.40 121.07 1gh8 s VAL 4 Ca 0.40 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1gh8 s VAL 4 Cb -0.10 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1gh8 s VAL 4 CO 0.32 -0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.68 1gh8 s VAL 5 N 1.51 3.79 0.37 2.92 1.01 -0.05 -1.84 120.40 128.11 1gh8 s VAL 5 Ca 0.02 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1gh8 s VAL 5 Cb -0.18 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1gh8 s VAL 5 CO 0.05 0.22 0.53 0.00 0.00 0.00 0.00 175.10 175.89 1gh8 s ALA 6 N 1.50 4.17 -0.06 5.51 0.00 -0.97 -0.12 121.76 131.78 1gh8 s ALA 6 Ca 0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1gh8 s ALA 6 Cb -0.16 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1gh8 s ALA 6 CO 0.01 -0.14 0.13 0.99 0.00 0.00 0.00 175.76 176.74 1gh8 s THR 7 N -2.28 -0.04 -0.25 0.00 2.01 -0.41 -1.26 115.64 113.42 1gh8 s THR 7 Ca 0.47 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1gh8 s THR 7 Cb -0.10 -0.21 0.07 0.00 0.01 0.00 0.00 72.50 72.27 1gh8 s THR 7 CO 0.33 0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.66 1gh8 s ILE 8 N 0.84 1.48 -0.72 1.82 -1.09 -0.85 -3.05 121.20 119.63 1gh8 s ILE 8 Ca -0.06 -1.30 -0.17 0.00 -2.23 0.00 0.00 60.65 56.88 1gh8 s ILE 8 Cb -0.08 -1.82 0.15 0.00 -1.58 0.00 0.00 42.46 39.12 1gh8 s ILE 8 CO -0.04 -0.21 0.77 -0.54 -1.23 0.00 0.00 174.94 173.69 1gh8 s LYS 9 N 1.40 3.32 -0.03 2.79 -0.14 -1.22 -0.24 119.74 125.62 1gh8 s LYS 9 Ca -0.03 -1.83 -0.16 0.00 -1.36 0.00 0.00 55.97 52.60 1gh8 s LYS 9 Cb -0.19 -4.44 -0.05 0.00 -1.68 0.00 0.00 37.83 31.47 1gh8 s LYS 9 CO -0.08 -1.47 0.44 0.14 -0.76 0.00 0.00 175.35 173.61 1gh8 s VAL 10 N 1.72 5.05 -0.14 3.17 -7.23 -0.57 0.10 120.40 122.50 1gh8 s VAL 10 Ca 0.16 0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 61.19 1gh8 s VAL 10 Cb -0.17 -3.76 0.07 0.00 0.56 0.00 0.00 36.38 33.08 1gh8 s VAL 10 CO -0.02 0.50 0.25 -0.32 -0.31 0.00 0.00 175.10 175.20 1gh8 s MET 11 N -0.55 0.14 -0.04 4.82 0.00 -1.16 -0.67 119.30 121.85 1gh8 s MET 11 Ca 0.25 0.65 -0.30 0.00 0.00 0.00 0.00 55.69 56.29 1gh8 s MET 11 Cb -0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 34.83 34.39 1gh8 s MET 11 CO 0.13 -0.34 1.56 -2.14 0.00 0.00 0.00 175.02 174.23 1gh8 s PRO 12 N 2.39 4.21 0.54 4.11 0.02 -1.26 -2.07 135.00 142.94 1gh8 s PRO 12 Ca 0.03 2.11 0.21 0.00 0.02 0.00 0.00 61.00 63.37 1gh8 s PRO 12 Cb -0.13 -3.84 1.39 0.00 0.02 0.00 0.00 34.50 31.95 1gh8 s PRO 12 CO -0.09 -0.77 2.10 0.93 -0.33 0.00 0.00 177.00 178.85 1gh8 h GLU 13 N 8.92 0.00 -7.08 5.54 4.39 -1.04 -3.43 114.58 121.89 1gh8 h GLU 13 Ca -0.38 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.87 1gh8 h GLU 13 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1gh8 h GLU 13 CO 0.94 0.00 0.36 -1.12 -1.16 0.00 0.00 179.01 178.03 1gh8 s SER 14 N -6.58 6.65 0.00 1.42 0.01 -1.26 -4.93 113.70 109.02 1gh8 s SER 14 Ca -0.05 1.78 0.09 0.00 1.31 0.00 0.00 55.95 59.08 1gh8 s SER 14 Cb 0.18 -2.55 0.41 0.00 0.21 0.00 0.00 66.02 64.27 1gh8 s SER 14 CO 0.67 -0.56 1.22 -0.81 0.41 0.00 0.00 173.24 174.16 1gh8 n PRO 15 N -0.86 0.06 -0.88 12.44 -0.04 -1.26 -2.62 135.00 141.84 1gh8 n PRO 15 Ca 0.08 0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.64 1gh8 n PRO 15 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.39 5.42 -4.57 3.54 8.00 -1.26 -4.87 116.55 121.41 1gh8 n ASP 16 Ca 0.03 -3.11 -0.25 0.00 0.71 0.00 0.00 54.79 52.16 1gh8 n ASP 16 Cb 0.09 -0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gh8 s VAL 17 N -2.49 3.44 -0.68 2.53 0.11 -1.08 -4.88 120.40 117.35 1gh8 s VAL 17 Ca 0.36 -0.66 -0.26 0.00 -2.93 0.00 0.00 61.98 58.49 1gh8 s VAL 17 Cb 0.29 -4.32 -0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1gh8 s VAL 17 CO 0.02 -0.82 1.64 -1.81 -3.33 0.00 0.00 175.10 170.81 1gh8 s ASP 18 N 7.24 5.62 0.15 3.54 1.11 -1.26 -4.80 116.67 128.27 1gh8 s ASP 18 Ca 0.71 -0.04 -0.14 0.00 0.18 0.00 0.00 52.55 53.26 1gh8 s ASP 18 Cb -0.03 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.44 1gh8 s ASP 18 CO 0.11 -2.18 1.69 0.17 1.18 0.00 0.00 175.17 176.15 1gh8 h LEU 19 N 15.17 0.65 -0.61 1.23 8.10 -1.90 0.41 115.31 138.37 1gh8 h LEU 19 Ca -0.24 -0.17 -0.14 0.00 0.11 0.00 0.00 57.88 57.43 1gh8 h LEU 19 Cb 1.11 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.15 1gh8 h LEU 19 CO 1.25 0.65 -0.45 -0.08 -4.11 0.00 0.00 178.44 175.70 1gh8 h GLU 20 N 0.62 0.58 -0.34 0.17 4.57 -1.99 0.36 114.58 118.54 1gh8 h GLU 20 Ca 0.16 -0.31 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 1gh8 h GLU 20 Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1gh8 h GLU 20 CO -0.01 0.91 -0.35 0.00 -1.18 0.00 0.00 179.01 178.38 1gh8 h ALA 21 N 1.04 0.74 0.00 2.92 0.00 -1.93 -2.35 119.26 119.69 1gh8 h ALA 21 Ca 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1gh8 h ALA 21 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1gh8 h ALA 21 CO 0.09 0.66 -0.26 1.25 0.00 0.00 0.00 179.25 180.99 1gh8 h LEU 22 N 0.65 0.00 -0.51 0.00 6.46 0.32 -2.88 115.31 119.35 1gh8 h LEU 22 Ca 0.06 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1gh8 h LEU 22 Cb 0.89 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.77 1gh8 h LEU 22 CO 0.08 0.26 0.22 0.11 -0.62 0.00 0.00 178.44 178.49 1gh8 h LYS 23 N 0.00 0.42 -0.48 1.25 6.56 0.26 0.64 116.57 125.22 1gh8 h LYS 23 Ca -0.00 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 1gh8 h LYS 23 Cb 0.58 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 1gh8 h LYS 23 CO 0.03 0.27 -0.10 0.87 -2.06 0.00 0.00 179.45 178.47 1gh8 h LYS 24 N 0.43 0.92 0.00 3.15 1.57 -1.50 -2.61 116.57 118.53 1gh8 h LYS 24 Ca 0.24 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1gh8 h LYS 24 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1gh8 h LYS 24 CO -0.21 1.00 -0.29 0.93 -0.57 0.00 0.00 179.45 180.31 1gh8 h GLU 25 N 0.77 0.00 -0.74 3.15 5.08 -1.27 -2.48 114.58 119.10 1gh8 h GLU 25 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 25 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1gh8 h GLU 25 CO 0.04 0.29 0.28 0.82 -1.00 0.00 0.00 179.01 179.44 1gh8 h ILE 26 N 0.00 1.25 -0.80 3.13 2.04 0.64 -1.59 117.51 122.18 1gh8 h ILE 26 Ca -0.00 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1gh8 h ILE 26 Cb 0.56 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1gh8 h ILE 26 CO 0.04 0.33 0.50 1.56 0.00 0.00 0.00 178.15 180.57 1gh8 h GLN 27 N 1.08 1.08 0.00 2.37 7.50 -1.20 -1.64 115.11 124.30 1gh8 h GLN 27 Ca 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 1gh8 h GLN 27 Cb 0.23 -0.23 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1gh8 h GLN 27 CO -0.02 0.75 -0.12 1.05 -1.50 0.00 0.00 178.83 179.00 1gh8 h GLU 28 N 1.10 0.00 0.00 1.46 -0.00 -1.45 -3.13 114.58 112.56 1gh8 h GLU 28 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 1gh8 h GLU 28 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 1gh8 h GLU 28 CO -0.06 0.12 -0.50 2.89 -0.00 0.00 0.00 179.01 181.46 1gh8 n ARG 29 N -3.15 0.14 -1.79 1.06 1.85 -0.62 -4.91 116.66 109.25 1gh8 n ARG 29 Ca 0.03 0.05 -0.41 0.00 -1.00 0.00 0.00 57.85 56.51 1gh8 n ARG 29 Cb 0.52 -1.60 -0.01 0.00 -1.05 0.00 0.00 32.46 30.33 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 -3.08 2.05 -0.24 8.89 -1.09 -0.66 -4.82 121.20 122.25 1gh8 s ILE 30 Ca 0.09 0.05 -0.40 0.00 -2.23 0.00 0.00 60.65 58.16 1gh8 s ILE 30 Cb 0.16 -3.03 -0.16 0.00 -1.58 0.00 0.00 42.46 37.84 1gh8 s ILE 30 CO 0.69 0.01 1.68 -0.81 -1.23 0.00 0.00 174.94 175.28 1gh8 n PRO 31 N 1.33 1.07 0.00 2.79 -0.04 -1.26 -4.77 135.00 134.12 1gh8 n PRO 31 Ca 0.05 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1gh8 n PRO 31 Cb 0.38 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 4.89 0.00 -0.04 0.54 2.13 -1.26 -3.05 120.64 123.85 1gh8 n GLU 32 Ca 0.26 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.07 1gh8 n GLU 32 Cb 0.12 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 0.00 0.00 8.31 0.00 -1.81 -3.48 103.07 106.09 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 -3.95 0.00 -4.37 4.70 -1.04 -1.17 -4.85 114.28 103.60 1gh8 n THR 34 Ca -0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1gh8 n THR 34 Cb 0.05 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 4.56 1.60 0.85 -2.82 0.41 -1.26 -4.84 118.70 117.20 1gh8 s GLU 35 Ca 0.00 -1.91 -0.14 0.00 -0.41 0.00 0.00 54.97 52.51 1gh8 s GLU 35 Cb 0.00 -0.34 0.20 0.00 -1.78 0.00 0.00 34.13 32.22 1gh8 s GLU 35 CO 0.00 -0.37 0.96 1.47 -0.49 0.00 0.00 175.26 176.83 1gh8 n LEU 36 N -0.61 0.00 0.00 1.80 -0.00 -1.26 -2.99 117.00 113.93 1gh8 n LEU 36 Ca -0.01 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.97 1gh8 n LEU 36 Cb 0.66 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1gh8 n LEU 36 CO 0.37 -1.54 0.00 1.57 -0.00 0.00 0.00 177.39 177.78 1gh8 n HIS 37 N -3.85 0.00 -3.64 1.47 -0.00 0.22 -3.30 115.22 106.12 1gh8 n HIS 37 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1gh8 n HIS 37 Cb 0.45 0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 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 -0.37 0.69 0.41 1.57 -0.14 -1.22 -4.97 119.74 115.71 1gh8 s LYS 38 Ca 0.00 1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 55.83 1gh8 s LYS 38 Cb 0.00 0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 36.32 1gh8 s LYS 38 CO 0.00 -0.15 0.65 0.42 -0.76 0.00 0.00 175.35 175.50 1gh8 s ILE 39 N 1.73 4.81 -0.09 2.17 1.01 -1.25 -2.04 121.20 127.54 1gh8 s ILE 39 Ca -0.10 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1gh8 s ILE 39 Cb -0.05 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1gh8 s ILE 39 CO -0.20 -0.60 -0.10 -0.62 0.00 0.00 0.00 174.94 173.43 1gh8 s ASP 40 N -4.10 2.00 -1.33 3.58 -1.08 -0.60 -4.85 116.67 110.30 1gh8 s ASP 40 Ca 0.44 -0.31 -0.12 0.00 -0.52 0.00 0.00 52.55 52.04 1gh8 s ASP 40 Cb -0.10 -0.84 0.12 0.00 -1.46 0.00 0.00 42.92 40.64 1gh8 s ASP 40 CO 0.39 -0.05 1.93 -0.62 0.52 0.00 0.00 175.17 177.34 1gh8 n GLU 41 N 4.43 3.33 -3.78 4.34 1.02 -1.26 -1.03 120.64 127.69 1gh8 n GLU 41 Ca -0.17 -3.26 -0.36 0.00 -0.02 0.00 0.00 57.16 53.34 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 3.76 0.45 3.49 2.02 -0.40 -4.93 118.70 124.76 1gh8 s GLU 42 Ca 0.43 -0.10 -0.07 0.00 0.02 0.00 0.00 54.97 55.25 1gh8 s GLU 42 Cb 0.09 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1gh8 s GLU 42 CO -0.02 0.59 0.78 -1.25 0.02 0.00 0.00 175.26 175.37 1gh8 s PRO 43 N -0.50 3.63 0.00 0.39 0.04 -1.26 0.14 135.00 137.44 1gh8 s PRO 43 Ca 0.14 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1gh8 s PRO 43 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.03 -0.14 0.00 -0.89 0.04 0.00 0.00 177.00 176.04 1gh8 n ILE 44 N -1.89 0.00 0.00 0.56 2.08 -0.00 -4.72 119.36 115.39 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 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 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 -1.54 0.00 0.14 -1.39 0.00 -1.10 -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 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.11 0.02 0.00 0.00 0.04 -2.03 -3.38 116.94 111.48 1gh8 h PHE 46 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 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 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 1gh8 n GLY 47 N 0.11 0.12 3.44 -1.45 0.00 -1.26 -5.06 105.19 101.09 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 4.81 -0.11 0.99 1.43 -1.26 -4.96 118.68 119.58 1gh8 s LEU 48 Ca 0.00 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1gh8 s LEU 48 Cb 0.00 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1gh8 s LEU 48 CO 0.00 -1.11 0.43 -0.69 0.23 0.00 0.00 176.35 175.21 1gh8 s VAL 49 N 3.15 5.18 0.36 -1.59 1.01 -1.26 -0.82 120.40 126.43 1gh8 s VAL 49 Ca 0.18 0.86 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1gh8 s VAL 49 Cb -0.19 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1gh8 s VAL 49 CO 0.11 0.38 0.54 0.00 0.00 0.00 0.00 175.10 176.13 1gh8 s ALA 50 N 0.30 3.86 -0.18 5.51 0.00 0.37 -4.74 121.76 126.87 1gh8 s ALA 50 Ca 0.24 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1gh8 s ALA 50 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1gh8 s ALA 50 CO 0.10 -0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 175.07 1gh8 s LEU 51 N -4.30 2.10 -0.87 0.00 1.02 0.16 -1.27 118.68 115.51 1gh8 s LEU 51 Ca 0.42 -0.65 -0.19 0.00 0.02 0.00 0.00 54.13 53.73 1gh8 s LEU 51 Cb -0.10 -1.44 0.12 0.00 0.02 0.00 0.00 46.19 44.80 1gh8 s LEU 51 CO 0.34 -0.01 1.07 0.20 0.02 0.00 0.00 176.35 177.97 1gh8 s ASN 52 N 1.31 6.55 -0.62 2.29 0.02 -0.20 -1.50 114.94 122.79 1gh8 s ASN 52 Ca 0.05 -1.89 -0.24 0.00 -1.02 0.00 0.00 52.86 49.76 1gh8 s ASN 52 Cb -0.13 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.80 1gh8 s ASN 52 CO -0.12 -1.10 0.99 -0.69 0.02 0.00 0.00 177.10 176.19 1gh8 s VAL 53 N 2.80 4.28 0.62 1.60 1.01 0.66 -1.56 120.40 129.81 1gh8 s VAL 53 Ca 0.30 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1gh8 s VAL 53 Cb -0.07 -4.65 0.01 0.00 0.00 0.00 0.00 36.38 31.66 1gh8 s VAL 53 CO -0.06 -1.37 0.95 -0.04 0.00 0.00 0.00 175.10 174.58 1gh8 s MET 54 N 4.20 2.94 -0.01 2.72 -1.94 -0.86 -2.00 119.30 124.34 1gh8 s MET 54 Ca 0.27 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 1gh8 s MET 54 Cb -0.14 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.50 1gh8 s MET 54 CO 0.14 -0.77 0.00 0.14 -0.01 0.00 0.00 175.02 174.53 1gh8 s VAL 55 N -3.08 0.04 -0.33 -6.03 -7.23 -0.39 0.70 120.40 104.08 1gh8 s VAL 55 Ca 0.55 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.63 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 0.05 0.29 -0.69 -0.31 0.00 0.00 175.10 174.92 1gh8 s VAL 56 N 0.43 5.23 0.06 1.32 1.01 -1.16 -2.30 120.40 124.98 1gh8 s VAL 56 Ca -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1gh8 s VAL 56 Cb -0.06 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1gh8 s VAL 56 CO -0.01 -0.01 -0.14 0.68 0.00 0.00 0.00 175.10 175.62 1gh8 s VAL 57 N 1.87 1.08 0.06 2.92 -7.23 -0.77 -4.27 120.40 114.06 1gh8 s VAL 57 Ca 0.09 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1gh8 s VAL 57 Cb -0.17 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1gh8 s VAL 57 CO 0.11 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1gh8 n GLY 58 N 1.56 -1.91 0.00 2.32 0.00 -1.26 -1.02 105.19 104.88 1gh8 n GLY 58 Ca -0.20 0.55 0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.31 0.03 -1.73 1.61 2.03 -1.26 -4.77 116.55 110.15 1gh8 n ASP 59 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1gh8 n ASP 59 Cb 0.00 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 -1.42 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.05 1gh8 n ALA 60 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1gh8 n ALA 60 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 0.68 0.00 -1.84 0.00 -1.26 -3.89 105.19 98.89 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 0.22 -0.59 0.00 -0.02 0.00 -1.26 -2.46 105.19 101.07 1gh8 n GLY 63 Ca 0.01 -0.10 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 -1.07 0.22 0.23 2.61 -2.24 -1.25 -2.70 114.28 110.08 1gh8 n THR 64 Ca 0.11 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1gh8 n THR 64 Cb 0.07 -0.68 0.85 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.17 -0.78 4.11 -1.84 -0.04 114.58 115.87 1gh8 h GLU 65 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 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 0.17 0.00 0.07 0.00 0.00 179.01 179.25 1gh8 h ALA 66 N 1.59 1.84 0.58 1.06 0.00 -1.84 -2.20 119.26 120.28 1gh8 h ALA 66 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gh8 h ALA 66 Cb 0.65 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gh8 h ALA 66 CO -0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 179.25 178.71 1gh8 h ALA 67 N 1.81 -0.78 -0.66 0.00 0.00 -1.29 0.76 119.26 119.11 1gh8 h ALA 67 Ca 0.08 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1gh8 h ALA 67 Cb 0.43 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1gh8 h ALA 67 CO -0.00 -0.91 0.44 0.93 0.00 0.00 0.00 179.25 179.70 1gh8 h GLU 68 N -0.82 0.72 0.15 0.00 4.39 -1.60 -0.60 114.58 116.82 1gh8 h GLU 68 Ca -0.08 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1gh8 h GLU 68 Cb 0.61 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1gh8 h GLU 68 CO 0.13 0.48 -0.07 1.49 -1.16 0.00 0.00 179.01 179.87 1gh8 h GLU 69 N 0.74 -0.20 0.00 2.33 4.22 -1.06 -1.84 114.58 118.77 1gh8 h GLU 69 Ca 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.72 1gh8 h GLU 69 Cb 0.15 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1gh8 h GLU 69 CO -0.08 -0.10 -0.02 0.66 -2.18 0.00 0.00 179.01 177.30 1gh8 h SER 70 N -0.24 0.00 0.86 1.04 4.64 -0.18 -1.49 113.55 118.17 1gh8 h SER 70 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1gh8 h SER 70 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1gh8 h SER 70 CO 0.03 0.02 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.58 1gh8 h LEU 71 N 0.00 0.00 -1.85 5.97 -0.00 -0.28 0.65 115.31 119.80 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 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1gh8 h LEU 71 CO 0.00 0.36 0.00 -1.28 -0.00 0.00 0.00 178.44 177.52 1gh8 h SER 72 N 0.00 0.00 -0.01 -0.43 0.87 -0.96 -3.16 113.55 109.85 1gh8 h SER 72 Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1gh8 h SER 72 Cb 0.89 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.61 1gh8 h SER 72 CO 0.05 0.00 -0.60 0.61 -0.53 0.00 0.00 176.83 176.36 1gh8 n GLY 73 N -0.70 0.79 0.00 5.77 0.00 -0.97 -5.13 105.19 104.95 1gh8 n GLY 73 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.11 0.00 -1.53 -0.61 3.06 0.22 -4.75 119.36 115.86 1gh8 n ILE 74 Ca -0.14 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.84 1gh8 n ILE 74 Cb 0.88 -1.30 -0.11 0.00 0.54 0.00 0.00 39.64 39.65 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 -0.11 0.46 0.20 9.51 0.00 -1.26 -4.76 120.64 124.69 1gh8 n GLU 75 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 57.16 56.98 1gh8 n GLU 75 Cb 0.00 -2.61 0.59 0.00 0.00 0.00 0.00 31.44 29.42 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1gh8 h GLY 76 N 17.14 0.12 1.28 -1.84 0.00 -1.98 -2.38 103.07 115.42 1gh8 h GLY 76 Ca -0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 47.33 46.92 1gh8 h GLY 76 CO 1.26 0.04 -1.50 -2.08 0.00 0.00 0.00 176.54 174.26 1gh8 h VAL 77 N 0.12 1.16 -3.21 4.60 2.07 -1.95 -3.41 116.25 115.63 1gh8 h VAL 77 Ca 0.03 -2.86 -0.74 0.00 0.82 0.00 0.00 66.70 63.95 1gh8 h VAL 77 Cb 0.00 2.70 -0.22 0.00 -1.52 0.00 0.00 31.29 32.24 1gh8 h VAL 77 CO -0.01 0.78 0.34 -0.55 0.02 0.00 0.00 177.57 178.16 1gh8 s SER 78 N -6.76 6.63 0.02 0.57 0.15 -0.89 -0.31 113.70 113.10 1gh8 s SER 78 Ca -0.07 -2.29 -0.30 0.00 0.70 0.00 0.00 55.95 53.98 1gh8 s SER 78 Cb 0.08 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1gh8 s SER 78 CO 0.84 -0.81 1.16 0.21 1.20 0.00 0.00 173.24 175.83 1gh8 s ASN 79 N 2.88 7.12 0.05 5.45 3.04 -0.88 -4.40 114.94 128.21 1gh8 s ASN 79 Ca 0.22 1.90 0.00 0.00 0.04 0.00 0.00 52.86 55.02 1gh8 s ASN 79 Cb -0.11 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1gh8 s ASN 79 CO -0.07 -0.46 0.18 -0.63 -3.04 0.00 0.00 177.10 173.08 1gh8 s ILE 80 N 1.33 5.24 -1.35 -5.21 1.09 -1.26 -2.97 121.20 118.07 1gh8 s ILE 80 Ca 0.57 -0.42 -0.11 0.00 -1.10 0.00 0.00 60.65 59.59 1gh8 s ILE 80 Cb -0.27 -3.53 0.12 0.00 -1.06 0.00 0.00 42.46 37.72 1gh8 s ILE 80 CO 0.27 0.17 2.00 1.21 -0.10 0.00 0.00 174.94 178.49 1gh8 n GLU 81 N 0.44 3.32 -1.02 2.79 2.13 0.11 -4.81 120.64 123.60 1gh8 n GLU 81 Ca -0.07 -3.17 -0.14 0.00 0.66 0.00 0.00 57.16 54.44 1gh8 n GLU 81 Cb 0.51 -3.08 -0.16 0.00 0.27 0.00 0.00 31.44 28.99 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 4.08 3.10 -0.63 6.31 0.31 -1.26 -3.36 118.33 126.87 1gh8 n VAL 82 Ca 0.45 -1.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.19 1gh8 n VAL 82 Cb 0.38 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 0.24 -2.99 2.52 -1.04 -1.26 -5.07 114.28 109.28 1gh8 n THR 83 Ca 0.46 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 1gh8 n THR 83 Cb 0.86 1.10 -0.05 0.00 -1.82 0.00 0.00 70.33 70.42 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 -0.24 7.09 -0.03 8.00 1.11 -1.17 -5.03 116.67 126.39 1gh8 s ASP 84 Ca 0.00 1.31 -0.09 0.00 0.18 0.00 0.00 52.55 53.95 1gh8 s ASP 84 Cb 0.00 -2.45 0.01 0.00 1.07 0.00 0.00 42.92 41.56 1gh8 s ASP 84 CO 0.00 -0.10 0.20 0.54 1.18 0.00 0.00 175.17 176.99 1gh8 s VAL 85 N 0.61 0.05 -0.45 -1.27 0.11 -1.26 -1.29 120.40 116.90 1gh8 s VAL 85 Ca 0.40 -0.40 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1gh8 s VAL 85 Cb -0.19 -0.43 0.18 0.00 -1.53 0.00 0.00 36.38 34.41 1gh8 s VAL 85 CO 0.21 -0.22 0.50 -0.60 -3.33 0.00 0.00 175.10 171.65 1gh8 s ARG 86 N -0.84 0.93 -0.69 1.54 3.52 0.83 -4.94 118.95 119.31 1gh8 s ARG 86 Ca -0.09 -1.52 -0.24 0.00 -0.13 0.00 0.00 55.73 53.75 1gh8 s ARG 86 Cb -0.05 -0.78 0.06 0.00 -1.56 0.00 0.00 34.95 32.62 1gh8 s ARG 86 CO 0.02 -1.34 1.05 1.03 -0.81 0.00 0.00 175.30 175.25 1gh8 s ARG 87 N 0.58 3.14 -1.00 5.12 0.52 -1.26 -0.87 118.95 125.19 1gh8 s ARG 87 Ca 0.29 -0.70 -0.19 0.00 -0.52 0.00 0.00 55.73 54.61 1gh8 s ARG 87 Cb -0.00 -4.23 0.11 0.00 0.52 0.00 0.00 34.95 31.34 1gh8 s ARG 87 CO -0.12 -1.90 1.27 -0.51 0.02 0.00 0.00 175.30 174.06 1gh8 s LEU 88 N 4.48 4.56 0.00 2.53 1.43 0.09 -4.92 118.68 126.85 1gh8 s LEU 88 Ca 0.26 -1.98 0.26 0.00 -1.03 0.00 0.00 54.13 51.63 1gh8 s LEU 88 Cb -0.14 -2.46 0.53 0.00 0.03 0.00 0.00 46.19 44.15 1gh8 s LEU 88 CO 0.11 -1.16 1.45 1.15 0.23 0.00 0.00 176.35 178.13