#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 0.42 3.88 3.17 0.00 0.15 -4.39 105.19 108.42 1gh8 n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 6.58 -0.34 1.61 1.11 0.20 -4.69 116.67 121.14 1gh8 s ASP 3 Ca 0.00 0.79 -0.14 0.00 0.18 0.00 0.00 52.55 53.38 1gh8 s ASP 3 Cb 0.00 -2.17 -0.01 0.00 1.07 0.00 0.00 42.92 41.80 1gh8 s ASP 3 CO 0.00 -0.01 0.33 -0.69 1.18 0.00 0.00 175.17 175.98 1gh8 s VAL 4 N -1.73 5.20 -0.23 -1.27 1.01 -0.11 -1.89 120.40 121.39 1gh8 s VAL 4 Ca 0.44 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1gh8 s VAL 4 Cb -0.12 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1gh8 s VAL 4 CO 0.22 -0.06 -0.00 -0.69 0.00 0.00 0.00 175.10 174.57 1gh8 s VAL 5 N 1.94 3.69 0.38 2.92 1.01 0.17 -1.15 120.40 129.36 1gh8 s VAL 5 Ca 0.10 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1gh8 s VAL 5 Cb -0.17 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1gh8 s VAL 5 CO 0.11 0.39 0.54 0.00 0.00 0.00 0.00 175.10 176.15 1gh8 s ALA 6 N 1.53 4.23 -0.05 5.51 0.00 -0.85 0.20 121.76 132.34 1gh8 s ALA 6 Ca 0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 1gh8 s ALA 6 Cb -0.15 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1gh8 s ALA 6 CO -0.01 -0.19 0.12 0.99 0.00 0.00 0.00 175.76 176.68 1gh8 s THR 7 N -2.30 -0.01 -0.26 0.00 2.01 -1.17 -0.95 115.64 112.95 1gh8 s THR 7 Ca 0.49 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1gh8 s THR 7 Cb -0.10 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.30 1gh8 s THR 7 CO 0.33 0.02 0.00 -0.63 -0.69 0.00 0.00 174.62 173.65 1gh8 s ILE 8 N 0.34 1.40 -0.68 1.82 -1.09 -0.67 -3.25 121.20 119.06 1gh8 s ILE 8 Ca -0.02 -1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 56.87 1gh8 s ILE 8 Cb -0.04 -1.82 0.14 0.00 -1.58 0.00 0.00 42.46 39.17 1gh8 s ILE 8 CO -0.01 -0.31 0.73 -0.54 -1.23 0.00 0.00 174.94 173.58 1gh8 s LYS 9 N 1.42 3.25 -0.08 2.79 -0.14 -1.21 0.07 119.74 125.83 1gh8 s LYS 9 Ca 0.01 -1.76 -0.16 0.00 -1.36 0.00 0.00 55.97 52.70 1gh8 s LYS 9 Cb -0.18 -4.40 -0.05 0.00 -1.68 0.00 0.00 37.83 31.52 1gh8 s LYS 9 CO -0.11 -1.46 0.41 0.14 -0.76 0.00 0.00 175.35 173.57 1gh8 s VAL 10 N 1.80 5.15 -0.11 3.17 -7.23 -0.72 0.33 120.40 122.79 1gh8 s VAL 10 Ca 0.14 0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 61.08 1gh8 s VAL 10 Cb -0.19 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.07 1gh8 s VAL 10 CO -0.00 0.44 0.24 0.00 -0.31 0.00 0.00 175.10 175.47 1gh8 s MET 11 N -0.11 0.16 -0.07 4.82 0.23 -1.12 -0.68 119.30 122.53 1gh8 s MET 11 Ca 0.23 0.62 -0.30 0.00 -1.03 0.00 0.00 55.69 55.21 1gh8 s MET 11 Cb -0.15 -0.10 -0.04 0.00 -1.53 0.00 0.00 34.83 33.01 1gh8 s MET 11 CO 0.10 -0.23 1.36 -2.14 -2.03 0.00 0.00 175.02 172.08 1gh8 s PRO 12 N 1.84 4.26 0.47 3.16 0.02 -1.26 -2.18 135.00 141.31 1gh8 s PRO 12 Ca -0.04 1.84 0.17 0.00 0.02 0.00 0.00 61.00 62.99 1gh8 s PRO 12 Cb -0.11 -3.70 1.15 0.00 0.02 0.00 0.00 34.50 31.86 1gh8 s PRO 12 CO -0.08 -0.64 2.02 0.93 -0.33 0.00 0.00 177.00 178.90 1gh8 h GLU 13 N 8.15 0.24 -7.17 5.54 5.08 -1.23 -3.43 114.58 121.77 1gh8 h GLU 13 Ca -0.34 -0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.54 1gh8 h GLU 13 Cb 1.15 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.37 1gh8 h GLU 13 CO 0.93 0.16 0.37 0.45 -1.00 0.00 0.00 179.01 179.92 1gh8 s SER 14 N -6.40 6.40 0.00 1.42 0.15 -1.26 -4.93 113.70 109.07 1gh8 s SER 14 Ca -0.07 1.69 0.15 0.00 0.70 0.00 0.00 55.95 58.42 1gh8 s SER 14 Cb 0.19 -2.52 0.81 0.00 -1.71 0.00 0.00 66.02 62.79 1gh8 s SER 14 CO 0.73 -0.74 1.35 -0.81 1.20 0.00 0.00 173.24 174.97 1gh8 n PRO 15 N -1.54 0.34 -1.34 5.44 -0.04 -1.26 -3.29 135.00 133.30 1gh8 n PRO 15 Ca 0.07 0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1gh8 n PRO 15 Cb 0.54 -1.50 -0.00 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 -1.14 6.76 -4.24 3.54 -0.08 -1.26 -4.89 116.55 115.23 1gh8 n ASP 16 Ca 0.09 -3.31 -0.29 0.00 -1.51 0.00 0.00 54.79 49.77 1gh8 n ASP 16 Cb 0.08 -1.13 -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 0.32 0.94 -2.12 5.18 0.31 -1.21 -4.85 118.33 116.91 1gh8 n VAL 17 Ca 0.46 -0.93 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 1gh8 n VAL 17 Cb 0.53 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 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 7.02 5.32 0.28 4.52 1.47 -1.26 -4.79 116.67 129.22 1gh8 s ASP 18 Ca 0.71 -0.81 -0.01 0.00 1.18 0.00 0.00 52.55 53.62 1gh8 s ASP 18 Cb 0.03 -2.56 0.39 0.00 -0.34 0.00 0.00 42.92 40.44 1gh8 s ASP 18 CO 0.19 -2.59 1.83 0.17 0.68 0.00 0.00 175.17 175.45 1gh8 h LEU 19 N 17.19 0.79 -0.60 2.11 -0.00 -1.89 0.17 115.31 133.08 1gh8 h LEU 19 Ca 0.12 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.88 57.71 1gh8 h LEU 19 Cb 1.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 1gh8 h LEU 19 CO 1.24 0.76 -0.50 -0.08 -0.00 0.00 0.00 178.44 179.86 1gh8 h GLU 20 N 0.83 0.51 -0.33 0.17 4.81 -1.99 0.25 114.58 118.83 1gh8 h GLU 20 Ca 0.19 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 1gh8 h GLU 20 Cb 0.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1gh8 h GLU 20 CO -0.01 0.89 -0.34 0.00 -0.73 0.00 0.00 179.01 178.83 1gh8 h ALA 21 N 1.05 0.78 -0.00 2.92 0.00 -1.87 -2.42 119.26 119.72 1gh8 h ALA 21 Ca 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 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 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.95 1gh8 h LEU 22 N 0.62 0.01 -0.49 0.00 5.85 -0.15 -2.87 115.31 118.27 1gh8 h LEU 22 Ca 0.06 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1gh8 h LEU 22 Cb 0.87 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1gh8 h LEU 22 CO 0.08 0.30 0.17 0.11 -0.34 0.00 0.00 178.44 178.76 1gh8 h LYS 23 N 0.01 0.33 -0.41 1.25 6.56 -0.00 0.58 116.57 124.89 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 0.52 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 1gh8 h LYS 23 CO 0.04 0.22 0.03 0.87 -2.06 0.00 0.00 179.45 178.54 1gh8 h LYS 24 N 0.34 0.71 0.00 3.15 1.57 -1.49 -2.69 116.57 118.15 1gh8 h LYS 24 Ca 0.24 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1gh8 h LYS 24 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1gh8 h LYS 24 CO -0.25 0.78 -0.28 0.93 -0.57 0.00 0.00 179.45 180.06 1gh8 h GLU 25 N 0.54 0.00 -0.34 3.15 4.39 -1.26 -2.85 114.58 118.21 1gh8 h GLU 25 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1gh8 h GLU 25 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1gh8 h GLU 25 CO 0.02 0.28 0.20 0.82 -1.16 0.00 0.00 179.01 179.17 1gh8 h ILE 26 N 0.00 1.12 -0.75 3.13 2.04 0.48 0.13 117.51 123.66 1gh8 h ILE 26 Ca -0.00 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1gh8 h ILE 26 Cb 0.52 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1gh8 h ILE 26 CO 0.04 0.12 0.35 1.56 0.00 0.00 0.00 178.15 180.21 1gh8 h GLN 27 N 0.44 1.08 0.00 2.37 1.08 -1.35 -1.87 115.11 116.86 1gh8 h GLN 27 Ca 0.12 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1gh8 h GLN 27 Cb 0.01 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1gh8 h GLN 27 CO -0.02 0.84 -0.05 1.05 -0.95 0.00 0.00 178.83 179.70 1gh8 h GLU 28 N 1.07 0.00 0.00 1.46 -0.00 -1.41 -3.13 114.58 112.57 1gh8 h GLU 28 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 1gh8 h GLU 28 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 1gh8 h GLU 28 CO -0.03 0.05 -0.48 2.89 -0.00 0.00 0.00 179.01 181.44 1gh8 n ARG 29 N -3.12 0.03 -1.81 1.06 1.85 0.01 -4.92 116.66 109.77 1gh8 n ARG 29 Ca 0.03 0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.48 1gh8 n ARG 29 Cb 0.51 -1.52 -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 0.42 -0.01 0.00 0.00 177.63 178.04 1gh8 s ILE 30 N -3.02 2.10 -0.27 8.89 -1.09 -0.75 -4.71 121.20 122.35 1gh8 s ILE 30 Ca 0.11 0.09 -0.36 0.00 -2.23 0.00 0.00 60.65 58.26 1gh8 s ILE 30 Cb 0.17 -3.06 -0.12 0.00 -1.58 0.00 0.00 42.46 37.87 1gh8 s ILE 30 CO 0.69 0.02 2.02 -0.81 -1.23 0.00 0.00 174.94 175.63 1gh8 n PRO 31 N 1.14 1.38 0.00 2.79 -0.04 -1.26 -4.78 135.00 134.22 1gh8 n PRO 31 Ca 0.04 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1gh8 n PRO 31 Cb 0.39 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 7.25 0.00 0.10 0.54 2.13 -1.26 -2.00 120.64 127.40 1gh8 n GLU 32 Ca 0.33 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 58.04 1gh8 n GLU 32 Cb 0.23 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.28 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 0.49 0.00 8.31 0.00 -1.80 -3.48 103.07 106.59 1gh8 h GLY 33 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 47.33 46.08 1gh8 h GLY 33 CO 0.00 1.09 0.00 2.41 0.00 0.00 0.00 176.54 180.04 1gh8 n THR 34 N -3.62 0.00 -4.28 4.70 -1.04 -0.85 -4.77 114.28 104.43 1gh8 n THR 34 Ca -0.21 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 1gh8 n THR 34 Cb 1.08 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.49 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 3.44 1.20 0.56 -2.82 2.02 -1.26 -4.83 118.70 117.01 1gh8 s GLU 35 Ca 0.00 -1.59 -0.09 0.00 0.02 0.00 0.00 54.97 53.30 1gh8 s GLU 35 Cb 0.00 -0.42 0.13 0.00 0.10 0.00 0.00 34.13 33.94 1gh8 s GLU 35 CO 0.00 -0.11 0.65 1.47 0.02 0.00 0.00 175.26 177.29 1gh8 n LEU 36 N -0.31 0.00 0.00 1.80 -0.00 -1.26 -2.61 117.00 114.61 1gh8 n LEU 36 Ca -0.06 -0.70 0.00 0.00 -0.00 0.00 0.00 56.01 55.25 1gh8 n LEU 36 Cb 0.63 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1gh8 n LEU 36 CO 0.35 -1.22 0.00 1.57 -0.00 0.00 0.00 177.39 178.09 1gh8 n HIS 37 N -3.24 0.00 -3.64 1.47 -0.00 0.22 -3.23 115.22 106.80 1gh8 n HIS 37 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.73 1gh8 n HIS 37 Cb 0.30 0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.30 0.61 0.37 1.57 2.47 -1.23 -4.96 119.74 118.26 1gh8 s LYS 38 Ca 0.00 0.96 -0.01 0.00 -1.56 0.00 0.00 55.97 55.36 1gh8 s LYS 38 Cb 0.00 0.17 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1gh8 s LYS 38 CO 0.00 -0.11 0.60 0.42 0.16 0.00 0.00 175.35 176.42 1gh8 s ILE 39 N 1.20 5.06 -0.16 5.43 1.01 -1.25 -1.96 121.20 130.52 1gh8 s ILE 39 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1gh8 s ILE 39 Cb -0.05 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1gh8 s ILE 39 CO -0.14 -0.59 -0.09 -0.62 0.00 0.00 0.00 174.94 173.50 1gh8 s ASP 40 N -3.95 2.82 -1.41 3.58 2.15 -0.38 -4.83 116.67 114.64 1gh8 s ASP 40 Ca 0.42 -0.61 -0.13 0.00 0.43 0.00 0.00 52.55 52.66 1gh8 s ASP 40 Cb -0.10 -1.05 0.08 0.00 -0.30 0.00 0.00 42.92 41.55 1gh8 s ASP 40 CO 0.37 -0.13 2.14 -0.62 -0.17 0.00 0.00 175.17 176.76 1gh8 n GLU 41 N 4.81 3.08 -3.70 4.34 1.02 -1.26 -0.76 120.64 128.18 1gh8 n GLU 41 Ca -0.14 -2.86 -0.37 0.00 -0.02 0.00 0.00 57.16 53.77 1gh8 n GLU 41 Cb 0.48 -3.18 -0.06 0.00 -0.02 0.00 0.00 31.44 28.66 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 2.38 3.74 0.45 3.49 2.02 0.16 -4.90 118.70 126.03 1gh8 s GLU 42 Ca 0.45 0.08 -0.10 0.00 0.02 0.00 0.00 54.97 55.42 1gh8 s GLU 42 Cb 0.13 -3.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 1gh8 s GLU 42 CO -0.06 0.66 0.81 -1.25 0.02 0.00 0.00 175.26 175.43 1gh8 s PRO 43 N -0.78 3.73 0.00 0.39 0.04 -1.26 0.15 135.00 137.27 1gh8 s PRO 43 Ca 0.18 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1gh8 s PRO 43 Cb -0.14 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1gh8 s PRO 43 CO 0.07 -0.13 0.00 -0.89 0.04 0.00 0.00 177.00 176.09 1gh8 n ILE 44 N -1.64 0.00 0.00 0.56 2.08 0.21 -4.74 119.36 115.83 1gh8 n ILE 44 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1gh8 n ILE 44 Cb 0.54 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 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 -1.65 0.00 0.06 -1.39 0.00 -1.16 -4.88 120.51 111.48 1gh8 n ALA 45 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1gh8 n ALA 45 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 0.43 0.00 0.00 -5.15 -2.03 -3.39 116.94 106.81 1gh8 h PHE 46 Ca 0.00 -0.15 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 1gh8 h PHE 46 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.09 1gh8 h PHE 46 CO 0.00 0.81 0.00 0.41 -2.00 0.00 0.00 178.31 177.53 1gh8 n GLY 47 N 0.15 -0.43 3.44 6.09 0.00 -1.26 -5.06 105.19 108.13 1gh8 n GLY 47 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 4.74 -0.16 0.99 1.43 -1.26 -4.89 118.68 119.53 1gh8 s LEU 48 Ca 0.00 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 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 0.45 -0.69 0.23 0.00 0.00 176.35 175.15 1gh8 s VAL 49 N 3.33 5.18 0.15 -1.59 1.01 -1.26 -0.62 120.40 126.61 1gh8 s VAL 49 Ca 0.19 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1gh8 s VAL 49 Cb -0.19 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1gh8 s VAL 49 CO 0.11 0.28 0.38 0.00 0.00 0.00 0.00 175.10 175.87 1gh8 s ALA 50 N 1.02 3.79 -0.26 5.51 0.00 0.40 -4.74 121.76 127.48 1gh8 s ALA 50 Ca 0.23 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1gh8 s ALA 50 Cb -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1gh8 s ALA 50 CO 0.09 0.64 -0.01 -0.51 0.00 0.00 0.00 175.76 175.97 1gh8 s LEU 51 N -2.74 3.33 -0.81 0.00 1.43 0.15 -0.67 118.68 119.37 1gh8 s LEU 51 Ca 0.41 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 1gh8 s LEU 51 Cb -0.12 -1.75 0.11 0.00 0.03 0.00 0.00 46.19 44.46 1gh8 s LEU 51 CO 0.25 -0.12 1.03 0.20 0.23 0.00 0.00 176.35 177.94 1gh8 s ASN 52 N 1.42 6.44 -0.58 2.29 0.01 0.06 -1.75 114.94 122.83 1gh8 s ASN 52 Ca 0.02 -1.67 -0.24 0.00 -0.71 0.00 0.00 52.86 50.27 1gh8 s ASN 52 Cb -0.16 -2.39 0.05 0.00 0.41 0.00 0.00 41.25 39.15 1gh8 s ASN 52 CO -0.02 -1.18 0.96 -0.69 -1.51 0.00 0.00 177.10 174.66 1gh8 s VAL 53 N 3.07 4.34 0.68 1.60 1.01 0.11 -1.25 120.40 129.96 1gh8 s VAL 53 Ca 0.27 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1gh8 s VAL 53 Cb -0.11 -4.59 0.04 0.00 0.00 0.00 0.00 36.38 31.72 1gh8 s VAL 53 CO -0.02 -1.23 1.00 -0.04 0.00 0.00 0.00 175.10 174.82 1gh8 s MET 54 N 4.05 2.51 -0.00 2.72 -1.94 -0.83 -1.67 119.30 124.13 1gh8 s MET 54 Ca 0.29 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 1gh8 s MET 54 Cb -0.13 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.55 1gh8 s MET 54 CO 0.17 -1.06 0.00 0.14 -0.01 0.00 0.00 175.02 174.26 1gh8 s VAL 55 N -3.20 -0.00 -0.41 -6.03 -7.23 -0.12 0.73 120.40 104.13 1gh8 s VAL 55 Ca 0.58 0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 1gh8 s VAL 55 Cb -0.11 -0.03 0.02 0.00 0.56 0.00 0.00 36.38 36.82 1gh8 s VAL 55 CO 0.46 0.02 0.48 -0.69 -0.31 0.00 0.00 175.10 175.06 1gh8 s VAL 56 N 0.21 5.03 0.06 1.32 1.01 -1.07 -2.00 120.40 124.95 1gh8 s VAL 56 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1gh8 s VAL 56 Cb -0.03 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1gh8 s VAL 56 CO -0.01 -0.41 -0.15 0.68 0.00 0.00 0.00 175.10 175.22 1gh8 s VAL 57 N 2.30 1.15 0.00 2.92 -7.23 -0.30 -4.27 120.40 114.97 1gh8 s VAL 57 Ca 0.15 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1gh8 s VAL 57 Cb -0.16 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1gh8 s VAL 57 CO 0.15 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1gh8 n GLY 58 N 1.55 -1.96 0.06 2.32 0.00 -1.26 -0.93 105.19 104.97 1gh8 n GLY 58 Ca -0.20 0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.90 0.20 -3.64 1.61 2.03 -1.26 -4.81 116.55 108.79 1gh8 n ASP 59 Ca 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1gh8 n ASP 59 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.86 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.62 1gh8 n ALA 60 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1gh8 n ALA 60 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -5.00 120.64 114.63 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 0.24 0.00 -1.84 0.00 -1.26 -3.80 105.19 98.54 1gh8 n GLY 62 Ca 0.00 -0.04 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 0.32 -0.88 0.00 -0.02 0.00 -1.26 -2.22 105.19 101.13 1gh8 n GLY 63 Ca 0.01 -0.07 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 -1.36 0.27 0.21 2.61 -2.24 -1.25 -2.58 114.28 109.95 1gh8 n THR 64 Ca 0.06 0.07 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 68.48 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 -0.29 -0.78 4.11 -1.78 -0.10 114.58 115.74 1gh8 h GLU 65 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 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 0.22 0.00 0.07 0.00 0.00 179.01 179.30 1gh8 h ALA 66 N 1.58 2.21 0.47 1.06 0.00 -1.82 -1.47 119.26 121.28 1gh8 h ALA 66 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1gh8 h ALA 66 CO -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 179.25 178.66 1gh8 h ALA 67 N 1.83 -0.63 -0.49 0.00 0.00 -1.29 0.15 119.26 118.84 1gh8 h ALA 67 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gh8 h ALA 67 Cb 0.57 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 67 CO -0.00 -0.80 0.33 0.93 0.00 0.00 0.00 179.25 179.70 1gh8 h GLU 68 N -0.74 0.54 0.11 0.00 5.08 -1.54 -0.47 114.58 117.57 1gh8 h GLU 68 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1gh8 h GLU 68 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1gh8 h GLU 68 CO 0.11 0.36 -0.05 1.49 -1.00 0.00 0.00 179.01 179.91 1gh8 h GLU 69 N 0.56 -0.15 0.00 2.33 4.81 -0.81 -1.78 114.58 119.55 1gh8 h GLU 69 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1gh8 h GLU 69 Cb 0.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1gh8 h GLU 69 CO -0.05 -0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.89 1gh8 h SER 70 N -0.26 0.00 0.69 1.04 4.64 0.04 -1.18 113.55 118.51 1gh8 h SER 70 Ca -0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1gh8 h SER 70 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1gh8 h SER 70 CO 0.03 0.00 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.25 1gh8 h LEU 71 N 0.00 0.00 -0.50 5.97 -0.00 -0.22 0.54 115.31 121.11 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1gh8 h LEU 71 CO 0.00 0.67 0.00 -0.24 -0.00 0.00 0.00 178.44 178.87 1gh8 n SER 72 N -3.72 0.27 -1.14 -0.43 2.88 -0.45 -2.72 113.62 108.31 1gh8 n SER 72 Ca -0.01 0.60 -0.02 0.00 -1.33 0.00 0.00 58.87 58.11 1gh8 n SER 72 Cb 0.66 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.84 0.73 0.00 0.46 0.00 -1.03 -5.13 105.19 99.39 1gh8 n GLY 73 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.19 0.00 -1.53 -0.61 0.13 0.19 -4.78 119.36 112.95 1gh8 n ILE 74 Ca -0.12 0.00 -0.38 0.00 -1.10 0.00 0.00 62.75 61.16 1gh8 n ILE 74 Cb 0.86 -1.26 -0.08 0.00 -0.84 0.00 0.00 39.64 38.32 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1gh8 n GLU 75 N -0.65 0.57 0.01 9.51 4.71 -1.26 -4.77 120.64 128.75 1gh8 n GLU 75 Ca 0.00 -0.02 0.07 0.00 -0.01 0.00 0.00 57.16 57.20 1gh8 n GLU 75 Cb 0.00 -2.59 0.47 0.00 -1.01 0.00 0.00 31.44 28.31 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 16.34 0.50 0.88 0.62 0.00 -1.97 -2.68 103.07 116.75 1gh8 h GLY 76 Ca -0.15 -0.18 -0.35 0.00 0.00 0.00 0.00 47.33 46.66 1gh8 h GLY 76 CO 1.26 0.15 -1.80 -2.08 0.00 0.00 0.00 176.54 174.08 1gh8 h VAL 77 N 0.45 0.86 -3.22 4.60 2.07 -1.95 -3.42 116.25 115.64 1gh8 h VAL 77 Ca 0.17 -2.51 -0.74 0.00 0.82 0.00 0.00 66.70 64.43 1gh8 h VAL 77 Cb 0.12 2.66 -0.22 0.00 -1.52 0.00 0.00 31.29 32.33 1gh8 h VAL 77 CO -0.04 0.84 0.29 -0.55 0.02 0.00 0.00 177.57 178.13 1gh8 s SER 78 N -7.08 6.59 0.14 0.57 0.15 -1.01 -0.60 113.70 112.47 1gh8 s SER 78 Ca -0.16 -2.24 -0.30 0.00 0.70 0.00 0.00 55.95 53.94 1gh8 s SER 78 Cb 0.06 -2.28 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.82 -0.82 1.02 0.21 1.20 0.00 0.00 173.24 175.67 1gh8 s ASN 79 N 2.91 7.41 0.04 5.45 3.04 -0.93 -4.35 114.94 128.52 1gh8 s ASN 79 Ca 0.20 1.92 -0.00 0.00 0.04 0.00 0.00 52.86 55.02 1gh8 s ASN 79 Cb -0.12 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 1gh8 s ASN 79 CO -0.06 -0.12 0.16 -0.63 -3.04 0.00 0.00 177.10 173.42 1gh8 s ILE 80 N -0.16 5.16 -1.35 -5.21 1.01 -1.26 -2.81 121.20 116.58 1gh8 s ILE 80 Ca 0.48 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1gh8 s ILE 80 Cb -0.26 -3.47 0.12 0.00 0.01 0.00 0.00 42.46 38.86 1gh8 s ILE 80 CO 0.32 0.20 2.04 1.21 0.00 0.00 0.00 174.94 178.71 1gh8 n GLU 81 N 0.57 3.40 -1.10 2.79 4.07 0.15 -4.82 120.64 125.70 1gh8 n GLU 81 Ca -0.08 -3.18 -0.17 0.00 -0.06 0.00 0.00 57.16 53.67 1gh8 n GLU 81 Cb 0.52 -3.04 -0.14 0.00 -0.06 0.00 0.00 31.44 28.72 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 3.87 3.25 -0.65 6.31 0.31 -1.26 -3.34 118.33 126.82 1gh8 n VAL 82 Ca 0.46 -1.81 0.00 0.00 -0.01 0.00 0.00 64.34 62.98 1gh8 n VAL 82 Cb 0.36 -2.06 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 2.53 0.32 -2.97 2.52 -1.04 -1.26 -5.06 114.28 109.31 1gh8 n THR 83 Ca 0.49 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.05 61.82 1gh8 n THR 83 Cb 0.78 0.89 -0.06 0.00 -1.82 0.00 0.00 70.33 70.12 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 -0.32 7.05 -0.07 8.00 1.11 -1.20 -5.04 116.67 126.19 1gh8 s ASP 84 Ca 0.00 1.55 -0.12 0.00 0.18 0.00 0.00 52.55 54.15 1gh8 s ASP 84 Cb 0.00 -2.47 0.03 0.00 1.07 0.00 0.00 42.92 41.54 1gh8 s ASP 84 CO 0.00 -0.12 0.31 -0.69 1.18 0.00 0.00 175.17 175.85 1gh8 s VAL 85 N -1.77 0.03 -0.44 -1.27 1.01 -1.26 -3.05 120.40 113.64 1gh8 s VAL 85 Ca 0.51 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1gh8 s VAL 85 Cb -0.14 -0.51 0.18 0.00 0.00 0.00 0.00 36.38 35.91 1gh8 s VAL 85 CO 0.19 -0.12 0.47 0.54 0.00 0.00 0.00 175.10 176.19 1gh8 n ARG 86 N 2.23 0.32 -2.50 2.72 1.74 0.13 -4.95 116.66 116.35 1gh8 n ARG 86 Ca -0.17 -2.81 -0.40 0.00 -0.77 0.00 0.00 57.85 53.71 1gh8 n ARG 86 Cb 0.57 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1gh8 n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1gh8 s ARG 87 N 0.28 3.63 -0.95 5.56 0.52 -1.26 -0.65 118.95 126.07 1gh8 s ARG 87 Ca 0.32 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.84 1gh8 s ARG 87 Cb 0.03 -5.41 0.06 0.00 0.52 0.00 0.00 34.95 30.15 1gh8 s ARG 87 CO -0.15 -2.42 1.37 -0.51 0.02 0.00 0.00 175.30 173.60 1gh8 s LEU 88 N 5.37 3.67 0.00 2.53 1.43 -0.79 -4.99 118.68 125.89 1gh8 s LEU 88 Ca 0.53 -1.34 0.26 0.00 -1.03 0.00 0.00 54.13 52.55 1gh8 s LEU 88 Cb 0.01 -2.54 0.72 0.00 0.03 0.00 0.00 46.19 44.41 1gh8 s LEU 88 CO 0.00 -1.51 1.56 1.15 0.23 0.00 0.00 176.35 177.78