#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gd8 h SER 15 N 0.00 0.00 0.47 4.04 4.64 -2.05 -2.10 113.55 118.54 1gd8 h SER 15 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1gd8 h SER 15 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gd8 h SER 15 CO 0.00 0.32 -0.92 0.45 -0.87 0.00 0.00 176.83 175.81 1gd8 h HIS 16 N 0.00 0.45 -0.12 4.77 3.86 -2.06 -2.72 115.15 119.33 1gd8 h HIS 16 Ca -0.00 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1gd8 h HIS 16 Cb 0.67 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1gd8 h HIS 16 CO 0.00 1.07 -0.01 0.00 0.86 0.00 0.00 177.93 179.84 1gd8 h ARG 17 N 0.17 0.22 -0.82 2.45 2.47 -1.88 -2.91 114.38 114.09 1gd8 h ARG 17 Ca -0.06 -0.08 0.05 0.00 -1.26 0.00 0.00 59.98 58.63 1gd8 h ARG 17 Cb 1.55 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.80 1gd8 h ARG 17 CO 0.15 0.49 0.51 -0.07 0.56 0.00 0.00 179.97 181.60 1gd8 h LEU 18 N -0.07 0.81 -1.25 3.04 -0.00 -1.45 -0.39 115.31 116.01 1gd8 h LEU 18 Ca 0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1gd8 h LEU 18 Cb 0.39 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1gd8 h LEU 18 CO 0.01 0.54 0.21 0.00 -0.00 0.00 0.00 178.44 179.19 1gd8 h ALA 19 N 1.37 1.41 0.32 1.53 0.00 -1.46 -0.73 119.26 121.71 1gd8 h ALA 19 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1gd8 h ALA 19 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gd8 h ALA 19 CO -0.15 0.45 -0.15 1.25 0.00 0.00 0.00 179.25 180.65 1gd8 h LEU 20 N 0.72 -0.36 -0.67 0.00 6.46 -1.09 -1.99 115.31 118.37 1gd8 h LEU 20 Ca 0.18 -0.18 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1gd8 h LEU 20 Cb 0.13 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 40.05 1gd8 h LEU 20 CO -0.02 0.04 0.05 1.88 -0.62 0.00 0.00 178.44 179.78 1gd8 h TYR 21 N -0.85 0.04 -0.41 1.25 0.99 -0.93 0.40 116.97 117.47 1gd8 h TYR 21 Ca -0.04 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1gd8 h TYR 21 Cb 0.52 0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.32 1gd8 h TYR 21 CO 0.03 -0.16 0.26 -0.09 -0.00 0.00 0.00 178.16 178.20 1gd8 h ARG 22 N 0.16 0.56 -0.49 4.88 2.43 -1.13 0.32 114.38 121.11 1gd8 h ARG 22 Ca 0.36 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.41 1gd8 h ARG 22 Cb 0.61 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1gd8 h ARG 22 CO -0.55 0.40 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.40 1gd8 h ASN 23 N 0.55 0.85 -0.41 -3.80 2.35 -0.29 -1.48 115.58 113.34 1gd8 h ASN 23 Ca 0.15 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1gd8 h ASN 23 Cb -0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1gd8 h ASN 23 CO -0.03 0.95 -0.02 1.56 -1.65 0.00 0.00 177.43 178.24 1gd8 h GLN 24 N 0.72 0.75 -0.83 0.81 4.20 -0.08 -2.99 115.11 117.69 1gd8 h GLN 24 Ca 0.14 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1gd8 h GLN 24 Cb 0.52 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1gd8 h GLN 24 CO 0.03 0.84 0.38 0.00 -0.67 0.00 0.00 178.83 179.41 1gd8 h ALA 25 N 0.88 1.08 -0.05 3.87 0.00 -0.26 -1.24 119.26 123.53 1gd8 h ALA 25 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gd8 h ALA 25 Cb 0.52 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1gd8 h ALA 25 CO 0.03 0.66 0.03 0.87 0.00 0.00 0.00 179.25 180.84 1gd8 h LYS 26 N 1.20 0.06 -0.55 0.00 1.57 -1.19 -0.26 116.57 117.40 1gd8 h LYS 26 Ca 0.28 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1gd8 h LYS 26 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1gd8 h LYS 26 CO -0.03 0.04 0.15 0.77 -0.57 0.00 0.00 179.45 179.81 1gd8 h SER 27 N 0.07 0.78 -0.60 0.86 0.02 -1.37 -1.35 113.55 111.96 1gd8 h SER 27 Ca 0.02 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1gd8 h SER 27 Cb -0.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1gd8 h SER 27 CO -0.01 0.75 0.06 0.25 -1.14 0.00 0.00 176.83 176.75 1gd8 h LEU 28 N 0.81 0.98 -0.96 5.07 7.12 -0.85 -0.86 115.31 126.62 1gd8 h LEU 28 Ca 0.18 -0.28 -0.10 0.00 0.13 0.00 0.00 57.88 57.81 1gd8 h LEU 28 Cb 0.27 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1gd8 h LEU 28 CO -0.00 1.01 -0.36 -0.07 -0.13 0.00 0.00 178.44 178.89 1gd8 h LEU 29 N 0.91 0.31 0.19 2.25 -0.00 -0.69 0.12 115.31 118.41 1gd8 h LEU 29 Ca 0.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1gd8 h LEU 29 Cb 0.47 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1gd8 h LEU 29 CO 0.02 0.65 -0.09 0.74 -0.00 0.00 0.00 178.44 179.76 1gd8 h THR 30 N 0.26 0.00 0.00 0.22 2.02 -1.04 -3.39 112.91 110.97 1gd8 h THR 30 Ca 0.03 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1gd8 h THR 30 Cb 0.76 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1gd8 h THR 30 CO 0.06 0.00 -0.53 0.45 0.37 0.00 0.00 175.52 175.87 1gd8 h HIS 31 N -0.98 0.00 0.00 3.16 3.86 -1.27 -3.49 115.15 116.43 1gd8 h HIS 31 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1gd8 h HIS 31 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1gd8 h HIS 31 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1gd8 n GLY 32 N 1.17 1.79 3.40 2.45 0.00 0.43 -5.00 105.19 109.43 1gd8 n GLY 32 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1gd8 n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gd8 s ARG 33 N -0.68 1.03 0.05 1.61 3.52 -1.24 -3.51 118.95 119.72 1gd8 s ARG 33 Ca 0.00 -0.17 -0.14 0.00 -0.13 0.00 0.00 55.73 55.29 1gd8 s ARG 33 Cb 0.00 0.47 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1gd8 s ARG 33 CO 0.00 -0.36 0.30 -1.50 -0.81 0.00 0.00 175.30 172.93 1gd8 s ILE 34 N -2.26 0.08 -0.06 4.11 -1.16 0.34 -4.64 121.20 117.61 1gd8 s ILE 34 Ca -0.06 -0.69 0.02 0.00 -0.51 0.00 0.00 60.65 59.41 1gd8 s ILE 34 Cb -0.01 -0.96 0.02 0.00 0.61 0.00 0.00 42.46 42.12 1gd8 s ILE 34 CO -0.00 -0.38 -0.09 -0.89 -2.81 0.00 0.00 174.94 170.77 1gd8 s THR 35 N -2.62 0.93 0.00 4.00 2.01 -1.26 -0.00 115.64 118.70 1gd8 s THR 35 Ca -0.04 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1gd8 s THR 35 Cb -0.01 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1gd8 s THR 35 CO -0.04 0.31 0.00 0.35 -0.69 0.00 0.00 174.62 174.56 1gd8 n THR 36 N 3.96 0.00 -1.57 -0.82 -2.24 -0.99 -5.00 114.28 107.62 1gd8 n THR 36 Ca -0.23 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1gd8 n THR 36 Cb 0.51 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1gd8 n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gd8 s THR 37 N -1.52 4.02 0.15 4.28 -4.23 -1.26 -1.14 115.64 115.94 1gd8 s THR 37 Ca 0.00 0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 1gd8 s THR 37 Cb 0.00 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.45 1gd8 s THR 37 CO 0.00 -0.85 1.78 0.58 -0.54 0.00 0.00 174.62 175.59 1gd8 h VAL 38 N -0.71 1.00 0.49 2.29 2.07 -1.71 -1.31 116.25 118.36 1gd8 h VAL 38 Ca -0.44 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1gd8 h VAL 38 Cb 1.21 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1gd8 h VAL 38 CO 0.57 0.07 -0.24 -0.65 0.02 0.00 0.00 177.57 177.34 1gd8 h PRO 39 N 0.38 -0.64 -0.52 1.57 0.11 -1.93 -2.24 132.00 128.74 1gd8 h PRO 39 Ca 0.15 0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.40 1gd8 h PRO 39 Cb 0.05 0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1gd8 h PRO 39 CO -0.10 -0.42 0.35 0.87 -0.21 0.00 0.00 178.00 178.49 1gd8 h LYS 40 N -0.66 0.27 -0.31 1.05 1.57 -1.93 -2.15 116.57 114.41 1gd8 h LYS 40 Ca -0.07 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1gd8 h LYS 40 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1gd8 h LYS 40 CO 0.11 0.18 -0.29 0.00 -0.57 0.00 0.00 179.45 178.88 1gd8 h ALA 41 N 1.74 0.46 -0.51 3.86 0.00 -0.97 -2.17 119.26 121.67 1gd8 h ALA 41 Ca 0.24 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1gd8 h ALA 41 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1gd8 h ALA 41 CO -0.05 0.47 0.06 0.87 0.00 0.00 0.00 179.25 180.60 1gd8 h LYS 42 N 0.51 0.87 -0.18 0.00 1.79 -0.80 -1.42 116.57 117.33 1gd8 h LYS 42 Ca 0.05 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.18 1gd8 h LYS 42 Cb 0.86 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1gd8 h LYS 42 CO 0.07 0.87 -0.30 0.93 -1.08 0.00 0.00 179.45 179.94 1gd8 h GLU 43 N 0.74 0.36 -0.11 3.15 5.08 -1.42 -2.97 114.58 119.42 1gd8 h GLU 43 Ca 0.15 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1gd8 h GLU 43 Cb 0.44 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1gd8 h GLU 43 CO 0.01 0.63 -0.18 1.25 -1.00 0.00 0.00 179.01 179.73 1gd8 h LEU 44 N 0.32 0.35 -1.27 1.33 6.46 -1.17 -2.42 115.31 118.91 1gd8 h LEU 44 Ca 0.04 -0.53 0.14 0.00 -0.12 0.00 0.00 57.88 57.41 1gd8 h LEU 44 Cb 0.69 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1gd8 h LEU 44 CO 0.05 0.82 0.58 0.08 -0.62 0.00 0.00 178.44 179.35 1gd8 h ARG 45 N -0.10 0.69 -0.22 1.25 0.11 -1.20 0.60 114.38 115.50 1gd8 h ARG 45 Ca 0.01 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.88 1gd8 h ARG 45 Cb 0.74 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 1gd8 h ARG 45 CO 0.04 0.46 -0.54 0.78 0.10 0.00 0.00 179.97 180.81 1gd8 h GLY 46 N 0.71 0.71 0.80 0.08 0.00 -1.45 -1.41 103.07 102.50 1gd8 h GLY 46 Ca 0.45 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1gd8 h GLY 46 CO -0.21 0.73 -0.01 -2.75 0.00 0.00 0.00 176.54 174.30 1gd8 h PHE 47 N 0.50 -0.02 -0.47 5.60 3.57 -0.47 -2.32 116.94 123.34 1gd8 h PHE 47 Ca 0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1gd8 h PHE 47 Cb 1.10 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1gd8 h PHE 47 CO 0.05 0.18 0.03 0.28 -2.23 0.00 0.00 178.31 176.62 1gd8 h VAL 48 N -0.22 1.26 -0.81 1.41 2.07 -1.00 -2.16 116.25 116.80 1gd8 h VAL 48 Ca -0.00 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1gd8 h VAL 48 Cb 0.21 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1gd8 h VAL 48 CO 0.00 0.35 0.53 0.44 0.02 0.00 0.00 177.57 178.91 1gd8 h ASP 49 N 0.66 0.75 -0.38 0.57 5.19 -1.27 0.25 116.42 122.19 1gd8 h ASP 49 Ca 0.14 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1gd8 h ASP 49 Cb 0.47 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1gd8 h ASP 49 CO 0.02 0.47 0.23 -0.74 -3.12 0.00 0.00 179.24 176.10 1gd8 h HIS 50 N 0.84 0.50 -0.29 4.55 -0.00 -1.05 -1.83 115.15 117.87 1gd8 h HIS 50 Ca 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.56 1gd8 h HIS 50 Cb 0.30 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1gd8 h HIS 50 CO -0.00 0.35 -0.47 -0.07 -0.00 0.00 0.00 177.93 177.74 1gd8 h LEU 51 N 0.50 0.84 -0.86 0.26 3.38 -0.61 -2.99 115.31 115.84 1gd8 h LEU 51 Ca 0.14 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1gd8 h LEU 51 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1gd8 h LEU 51 CO -0.03 1.18 -0.45 0.40 0.09 0.00 0.00 178.44 179.63 1gd8 h ILE 52 N 0.62 1.33 -0.36 1.22 2.04 -0.92 -1.92 117.51 119.51 1gd8 h ILE 52 Ca 0.03 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1gd8 h ILE 52 Cb 1.04 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1gd8 h ILE 52 CO 0.10 0.49 0.21 -0.74 0.00 0.00 0.00 178.15 178.21 1gd8 h HIS 53 N 0.21 0.48 -0.50 1.37 2.76 -1.26 -0.09 115.15 118.13 1gd8 h HIS 53 Ca 0.01 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.10 1gd8 h HIS 53 Cb 0.89 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1gd8 h HIS 53 CO 0.02 0.36 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.91 1gd8 h LEU 54 N 0.47 0.83 -1.31 0.26 3.38 -1.38 -1.43 115.31 116.12 1gd8 h LEU 54 Ca 0.13 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1gd8 h LEU 54 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1gd8 h LEU 54 CO -0.02 0.91 -0.32 0.00 0.09 0.00 0.00 178.44 179.09 1gd8 h ALA 55 N 1.18 1.25 -0.07 1.53 0.00 -0.97 0.36 119.26 122.55 1gd8 h ALA 55 Ca 0.15 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1gd8 h ALA 55 Cb 0.51 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1gd8 h ALA 55 CO 0.03 0.40 -0.87 0.87 0.00 0.00 0.00 179.25 179.68 1gd8 h LYS 56 N 0.00 0.70 0.00 0.00 1.57 -0.45 -2.64 116.57 115.76 1gd8 h LYS 56 Ca -0.00 -0.67 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 1gd8 h LYS 56 Cb 0.66 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1gd8 h LYS 56 CO 0.04 1.27 -0.10 -0.09 -0.57 0.00 0.00 179.45 180.00 1gd8 h ARG 57 N 0.39 0.00 -6.82 3.15 2.43 -0.83 -3.47 114.38 109.22 1gd8 h ARG 57 Ca -0.09 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 1gd8 h ARG 57 Cb 1.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1gd8 h ARG 57 CO 0.17 0.10 -0.32 0.41 -1.51 0.00 0.00 179.97 178.82 1gd8 n GLY 58 N -0.67 -0.20 2.75 2.80 0.00 0.08 -4.96 105.19 104.99 1gd8 n GLY 58 Ca -0.02 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1gd8 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gd8 n ASP 59 N -0.24 2.83 -0.27 1.61 5.75 -1.26 -4.96 116.55 120.01 1gd8 n ASP 59 Ca -0.06 -2.70 0.05 0.00 -0.01 0.00 0.00 54.79 52.07 1gd8 n ASP 59 Cb 0.19 0.34 0.18 0.00 -1.03 0.00 0.00 41.12 40.80 1gd8 n ASP 59 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 1gd8 h LEU 60 N 0.00 0.42 -0.11 -2.12 -0.00 -1.99 -0.97 115.31 110.53 1gd8 h LEU 60 Ca -0.31 0.09 -0.24 0.00 -0.00 0.00 0.00 57.88 57.42 1gd8 h LEU 60 Cb 0.97 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.67 1gd8 h LEU 60 CO 0.52 0.19 -0.98 0.45 -0.00 0.00 0.00 178.44 178.62 1gd8 h HIS 61 N 0.55 0.76 -0.29 0.17 3.86 -1.99 -3.05 115.15 115.16 1gd8 h HIS 61 Ca 0.41 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1gd8 h HIS 61 Cb 0.55 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1gd8 h HIS 61 CO -0.12 1.24 0.12 0.00 0.86 0.00 0.00 177.93 180.03 1gd8 h ALA 62 N 0.63 0.37 0.00 2.45 0.00 -1.77 -2.26 119.26 118.69 1gd8 h ALA 62 Ca -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gd8 h ALA 62 Cb 1.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1gd8 h ALA 62 CO 0.18 -0.04 -0.02 -0.09 0.00 0.00 0.00 179.25 179.28 1gd8 h ARG 63 N 0.32 0.00 0.01 0.00 2.43 -1.25 -1.24 114.38 114.66 1gd8 h ARG 63 Ca 0.10 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1gd8 h ARG 63 Cb 0.16 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1gd8 h ARG 63 CO -0.01 0.02 -0.25 -0.09 -1.51 0.00 0.00 179.97 178.13 1gd8 h ARG 64 N 0.00 0.15 0.00 0.20 2.43 -1.31 -3.03 114.38 112.82 1gd8 h ARG 64 Ca -0.00 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1gd8 h ARG 64 Cb 0.04 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1gd8 h ARG 64 CO 0.00 0.96 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.89 1gd8 h LEU 65 N -0.59 0.00 -0.63 3.80 -0.00 -1.16 -1.79 115.31 114.94 1gd8 h LEU 65 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.71 1gd8 h LEU 65 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1gd8 h LEU 65 CO 0.05 0.45 -0.37 0.58 -0.00 0.00 0.00 178.44 179.16 1gd8 h VAL 66 N 0.00 1.29 -0.31 1.22 2.07 -1.33 -2.20 116.25 116.98 1gd8 h VAL 66 Ca -0.00 -1.52 -0.17 0.00 0.82 0.00 0.00 66.70 65.82 1gd8 h VAL 66 Cb 0.81 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1gd8 h VAL 66 CO 0.06 0.49 -0.49 0.25 0.02 0.00 0.00 177.57 177.90 1gd8 h LEU 67 N 0.55 0.94 -1.48 2.57 7.12 -1.38 0.44 115.31 124.07 1gd8 h LEU 67 Ca 0.05 -0.47 -0.04 0.00 0.13 0.00 0.00 57.88 57.55 1gd8 h LEU 67 Cb 0.88 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1gd8 h LEU 67 CO 0.08 1.26 -0.13 -0.09 -0.13 0.00 0.00 178.44 179.43 1gd8 h ARG 68 N 0.67 0.18 0.12 1.25 2.43 -1.20 -2.95 114.38 114.89 1gd8 h ARG 68 Ca 0.03 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 1gd8 h ARG 68 Cb 1.08 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1gd8 h ARG 68 CO 0.11 0.32 -1.29 -0.44 -1.51 0.00 0.00 179.97 177.15 1gd8 h ASP 69 N 0.17 0.41 -3.56 -3.80 5.19 -1.17 -3.42 116.42 110.23 1gd8 h ASP 69 Ca 0.04 -0.87 -0.71 0.00 -0.62 0.00 0.00 57.03 54.86 1gd8 h ASP 69 Cb 0.34 -0.13 -0.24 0.00 0.18 0.00 0.00 39.33 39.47 1gd8 h ASP 69 CO 0.02 1.57 -0.50 -0.76 -3.12 0.00 0.00 179.24 176.46 1gd8 s LEU 70 N -7.62 4.82 -0.34 1.55 1.43 0.15 -4.76 118.68 113.92 1gd8 s LEU 70 Ca -0.18 -1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 51.82 1gd8 s LEU 70 Cb 0.04 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.13 1gd8 s LEU 70 CO 0.78 -0.41 3.15 0.00 0.23 0.00 0.00 176.35 180.10 1gd8 n GLN 71 N 5.01 2.37 -3.56 1.70 1.13 -1.22 -4.28 117.38 118.53 1gd8 n GLN 71 Ca -0.12 -1.79 -0.15 0.00 -1.94 0.00 0.00 57.00 53.01 1gd8 n GLN 71 Cb 0.46 -2.13 -0.13 0.00 0.11 0.00 0.00 30.24 28.55 1gd8 n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1gd8 s ASP 72 N 1.16 0.78 0.04 1.08 3.68 -1.26 -5.07 116.67 117.09 1gd8 s ASP 72 Ca 0.63 0.21 -0.24 0.00 2.13 0.00 0.00 52.55 55.28 1gd8 s ASP 72 Cb 0.34 0.59 -0.16 0.00 -1.45 0.00 0.00 42.92 42.23 1gd8 s ASP 72 CO -0.11 -0.28 1.53 0.58 0.13 0.00 0.00 175.17 177.01 1gd8 h VAL 73 N 6.29 1.19 -0.84 1.11 2.07 -1.97 -2.03 116.25 122.07 1gd8 h VAL 73 Ca -0.16 -0.56 0.13 0.00 0.82 0.00 0.00 66.70 66.94 1gd8 h VAL 73 Cb 1.13 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1gd8 h VAL 73 CO 0.21 0.15 0.55 0.11 0.02 0.00 0.00 177.57 178.61 1gd8 h LYS 74 N -0.17 0.63 0.04 1.57 6.56 -1.99 0.15 116.57 123.36 1gd8 h LYS 74 Ca 0.01 -0.04 -0.18 0.00 -1.06 0.00 0.00 60.65 59.38 1gd8 h LYS 74 Cb 0.23 -0.14 0.02 0.00 -0.57 0.00 0.00 32.23 31.77 1gd8 h LYS 74 CO 0.00 0.42 -0.71 -0.07 -2.06 0.00 0.00 179.45 177.02 1gd8 h LEU 75 N 0.65 0.56 -1.19 2.94 3.38 -1.97 -1.36 115.31 118.32 1gd8 h LEU 75 Ca 0.41 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1gd8 h LEU 75 Cb 0.68 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1gd8 h LEU 75 CO -0.17 1.30 0.55 0.58 0.09 0.00 0.00 178.44 180.79 1gd8 h VAL 76 N -0.11 1.16 -0.14 1.22 2.07 -0.79 0.10 116.25 119.77 1gd8 h VAL 76 Ca -0.10 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1gd8 h VAL 76 Cb 1.44 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1gd8 h VAL 76 CO 0.14 0.20 0.02 0.03 0.02 0.00 0.00 177.57 177.97 1gd8 h ARG 77 N 1.07 0.23 -0.53 1.57 3.08 -0.70 -2.53 114.38 116.57 1gd8 h ARG 77 Ca 0.33 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.39 1gd8 h ARG 77 Cb -0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1gd8 h ARG 77 CO -0.09 0.43 0.16 -0.22 -1.07 0.00 0.00 179.97 179.18 1gd8 h LYS 78 N 0.01 0.32 0.09 0.04 3.64 -0.24 -1.53 116.57 118.89 1gd8 h LYS 78 Ca 0.04 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1gd8 h LYS 78 Cb 0.31 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1gd8 h LYS 78 CO 0.00 0.21 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.99 1gd8 h LEU 79 N 0.33 -0.95 -0.12 5.20 3.38 -0.70 0.29 115.31 122.72 1gd8 h LEU 79 Ca 0.26 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1gd8 h LEU 79 Cb 0.31 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1gd8 h LEU 79 CO -0.29 -0.41 0.05 -0.26 0.09 0.00 0.00 178.44 177.63 1gd8 h PHE 80 N -0.54 0.18 -0.02 1.13 -1.00 -1.05 0.34 116.94 115.97 1gd8 h PHE 80 Ca 0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1gd8 h PHE 80 Cb 0.58 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1gd8 h PHE 80 CO -0.31 0.24 -0.08 -0.25 -1.61 0.00 0.00 178.31 176.31 1gd8 n ASP 81 N -4.92 2.45 0.09 2.17 9.92 -0.61 -4.39 116.55 121.26 1gd8 n ASP 81 Ca -0.05 -1.77 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 1gd8 n ASP 81 Cb 0.10 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1gd8 n ASP 81 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1gd8 n GLU 82 N 0.80 0.00 -0.04 -1.24 2.13 0.94 -4.83 120.64 118.40 1gd8 n GLU 82 Ca 0.14 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.81 1gd8 n GLU 82 Cb 0.52 -0.25 -0.08 0.00 0.27 0.00 0.00 31.44 31.90 1gd8 n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1gd8 h ILE 83 N 0.00 1.36 -0.08 6.31 1.08 -1.15 -3.28 117.51 121.75 1gd8 h ILE 83 Ca 0.00 -1.76 0.03 0.00 -0.39 0.00 0.00 64.86 62.74 1gd8 h ILE 83 Cb 0.00 2.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1gd8 h ILE 83 CO 0.00 0.53 -0.14 0.00 -0.69 0.00 0.00 178.15 177.85 1gd8 h ALA 84 N 0.51 -0.10 -0.86 1.87 0.00 -0.55 -2.59 119.26 117.53 1gd8 h ALA 84 Ca -0.02 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1gd8 h ALA 84 Cb 1.10 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 1gd8 h ALA 84 CO 0.10 -0.61 0.40 -1.35 0.00 0.00 0.00 179.25 177.79 1gd8 h PRO 85 N -0.20 0.49 -0.23 0.00 0.11 -1.77 -0.74 132.00 129.67 1gd8 h PRO 85 Ca 0.08 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.22 1gd8 h PRO 85 Cb 0.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1gd8 h PRO 85 CO -0.20 0.32 0.17 -0.09 -0.21 0.00 0.00 178.00 177.99 1gd8 h ARG 86 N 0.50 0.00 -0.35 1.05 2.43 -1.52 -2.70 114.38 113.79 1gd8 h ARG 86 Ca 0.50 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.51 1gd8 h ARG 86 Cb 0.84 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.29 1gd8 h ARG 86 CO -0.44 0.00 -0.04 0.66 -1.51 0.00 0.00 179.97 178.64 1gd8 n TYR 87 N -4.45 1.11 0.25 2.20 4.02 -0.29 -4.60 117.16 115.40 1gd8 n TYR 87 Ca 0.03 -1.48 0.13 0.00 -0.01 0.00 0.00 57.90 56.57 1gd8 n TYR 87 Cb 0.32 -0.47 0.57 0.00 -0.02 0.00 0.00 39.34 39.74 1gd8 n TYR 87 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1gd8 h ARG 88 N 1.12 0.00 0.23 -0.72 9.65 -1.35 -3.05 114.38 120.26 1gd8 h ARG 88 Ca 0.20 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.77 1gd8 h ARG 88 Cb 1.66 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 30.27 1gd8 h ARG 88 CO 0.38 0.12 -1.34 0.38 2.80 0.00 0.00 179.97 182.31 1gd8 h ASP 89 N 0.00 0.78 -4.28 -3.80 -0.00 -1.83 -3.46 116.42 103.82 1gd8 h ASP 89 Ca -0.00 -0.93 -0.50 0.00 -0.00 0.00 0.00 57.03 55.60 1gd8 h ASP 89 Cb 0.62 -0.25 0.08 0.00 -0.00 0.00 0.00 39.33 39.78 1gd8 h ASP 89 CO 0.02 1.65 0.37 -0.13 -0.00 0.00 0.00 179.24 181.15 1gd8 s ARG 90 N -2.57 3.09 -0.37 4.15 1.81 -1.15 -4.99 118.95 118.92 1gd8 s ARG 90 Ca -0.10 1.04 0.10 0.00 -1.72 0.00 0.00 55.73 55.06 1gd8 s ARG 90 Cb 0.03 -2.01 0.44 0.00 -0.45 0.00 0.00 34.95 32.97 1gd8 s ARG 90 CO 0.92 -0.98 1.08 0.94 -0.68 0.00 0.00 175.30 176.59 1gd8 n GLN 91 N -2.71 2.73 0.00 3.54 7.27 -1.26 -5.00 117.38 121.95 1gd8 n GLN 91 Ca 0.08 -4.05 0.00 0.00 0.07 0.00 0.00 57.00 53.10 1gd8 n GLN 91 Cb 0.53 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1gd8 n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gd8 n GLY 92 N -0.42 1.83 3.49 1.69 0.00 -1.26 -5.10 105.19 105.42 1gd8 n GLY 92 Ca 0.29 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1gd8 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd8 n GLY 93 N -1.67 -1.23 0.08 -0.02 0.00 -1.26 -4.94 105.19 96.15 1gd8 n GLY 93 Ca 0.00 0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.66 1gd8 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gd8 n TYR 94 N -2.56 0.66 -4.94 1.61 4.02 -1.26 -4.85 117.16 109.83 1gd8 n TYR 94 Ca -0.16 0.19 -0.33 0.00 -0.01 0.00 0.00 57.90 57.60 1gd8 n TYR 94 Cb 0.60 -0.78 -0.14 0.00 -0.02 0.00 0.00 39.34 39.00 1gd8 n TYR 94 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1gd8 s THR 95 N -3.37 2.85 -0.09 -0.72 2.01 -1.26 -0.54 115.64 114.52 1gd8 s THR 95 Ca -0.01 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1gd8 s THR 95 Cb 0.11 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1gd8 s THR 95 CO 0.81 0.57 -0.04 -0.60 -0.69 0.00 0.00 174.62 174.67 1gd8 s ARG 96 N -0.34 3.03 -0.16 4.92 3.52 0.14 -4.82 118.95 125.24 1gd8 s ARG 96 Ca 0.03 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1gd8 s ARG 96 Cb -0.13 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1gd8 s ARG 96 CO 0.02 0.58 -0.18 0.08 -0.81 0.00 0.00 175.30 174.99 1gd8 s VAL 97 N -0.56 2.38 -0.28 7.11 1.01 -1.26 -1.53 120.40 127.27 1gd8 s VAL 97 Ca 0.09 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1gd8 s VAL 97 Cb -0.12 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.33 1gd8 s VAL 97 CO 0.02 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.82 1gd8 s LEU 98 N 0.92 3.62 0.21 3.92 1.43 0.85 -4.94 118.68 124.69 1gd8 s LEU 98 Ca -0.04 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 1gd8 s LEU 98 Cb -0.15 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1gd8 s LEU 98 CO -0.03 -0.22 1.40 -0.54 0.23 0.00 0.00 176.35 177.20 1gd8 s LYS 99 N 1.17 4.31 0.42 1.70 1.02 -1.26 -0.07 119.74 127.03 1gd8 s LYS 99 Ca -0.07 2.20 0.08 0.00 0.02 0.00 0.00 55.97 58.20 1gd8 s LYS 99 Cb -0.20 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1gd8 s LYS 99 CO -0.03 -0.38 0.43 -0.51 -0.92 0.00 0.00 175.35 173.94 1gd8 s LEU 100 N -0.04 3.43 -0.13 3.17 1.43 -0.24 -4.91 118.68 121.38 1gd8 s LEU 100 Ca 0.60 -0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 1gd8 s LEU 100 Cb -0.40 -2.17 -0.20 0.00 0.03 0.00 0.00 46.19 43.45 1gd8 s LEU 100 CO 0.39 -0.71 0.58 0.00 0.23 0.00 0.00 176.35 176.84 1gd8 h ALA 101 N 0.91 0.01 -1.49 4.21 0.00 -1.95 -3.41 119.26 117.54 1gd8 h ALA 101 Ca -0.41 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 1gd8 h ALA 101 Cb 1.27 0.03 0.14 0.00 0.00 0.00 0.00 17.79 19.24 1gd8 h ALA 101 CO 0.54 0.03 -0.84 -1.91 0.00 0.00 0.00 179.25 177.08 1gd8 n GLU 102 N -4.64 0.00 -3.97 0.00 2.13 -1.26 -4.75 120.64 108.16 1gd8 n GLU 102 Ca -0.09 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.58 1gd8 n GLU 102 Cb 0.38 -0.95 -0.15 0.00 0.27 0.00 0.00 31.44 31.00 1gd8 n GLU 102 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1gd8 s ARG 103 N -0.95 0.24 0.63 5.31 0.52 -1.26 -2.46 118.95 120.98 1gd8 s ARG 103 Ca 0.57 -0.01 -0.18 0.00 -0.52 0.00 0.00 55.73 55.59 1gd8 s ARG 103 Cb -0.65 -0.33 -0.13 0.00 0.52 0.00 0.00 34.95 34.36 1gd8 s ARG 103 CO 0.58 -0.04 -0.08 -2.13 0.02 0.00 0.00 175.30 173.65 1gd8 n ARG 104 N 3.56 0.10 -3.46 3.54 0.63 -0.30 -4.69 116.66 116.03 1gd8 n ARG 104 Ca -0.20 0.04 -0.40 0.00 -0.92 0.00 0.00 57.85 56.38 1gd8 n ARG 104 Cb 0.55 -1.19 -0.03 0.00 0.45 0.00 0.00 32.46 32.23 1gd8 n ARG 104 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1gd8 n ARG 105 N 1.20 3.14 0.00 -0.14 0.63 -1.26 -2.19 116.66 118.04 1gd8 n ARG 105 Ca 0.07 -4.49 0.00 0.00 -0.92 0.00 0.00 57.85 52.51 1gd8 n ARG 105 Cb 0.49 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.93 1gd8 n ARG 105 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gd8 n GLY 106 N 2.28 0.53 0.00 5.14 0.00 -1.26 -4.90 105.19 106.98 1gd8 n GLY 106 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1gd8 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gd8 n ASP 107 N 0.00 0.12 -3.61 1.61 3.85 -1.26 -5.04 116.55 112.21 1gd8 n ASP 107 Ca 0.00 -0.62 -0.27 0.00 -0.71 0.00 0.00 54.79 53.19 1gd8 n ASP 107 Cb 0.00 0.09 0.04 0.00 -1.35 0.00 0.00 41.12 39.91 1gd8 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gd8 n GLY 108 N 0.09 -0.92 3.62 6.12 0.00 -0.93 -4.94 105.19 108.23 1gd8 n GLY 108 Ca 0.00 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 1gd8 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gd8 s ALA 109 N -3.49 3.58 0.21 4.61 0.00 -1.25 -4.70 121.76 120.72 1gd8 s ALA 109 Ca 0.40 -0.65 -0.32 0.00 0.00 0.00 0.00 51.96 51.39 1gd8 s ALA 109 Cb -0.12 -2.84 -0.13 0.00 0.00 0.00 0.00 23.12 20.03 1gd8 s ALA 109 CO 0.83 -0.71 1.64 -0.35 0.00 0.00 0.00 175.76 177.17 1gd8 n PRO 110 N 5.47 2.53 -2.93 0.00 -0.04 -1.26 -1.15 135.00 137.61 1gd8 n PRO 110 Ca -0.05 0.91 -0.24 0.00 -0.04 0.00 0.00 63.50 64.08 1gd8 n PRO 110 Cb 0.50 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.26 1gd8 n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gd8 s LEU 111 N 0.72 3.63 -0.04 1.53 1.43 -1.03 -2.24 118.68 122.68 1gd8 s LEU 111 Ca 0.74 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1gd8 s LEU 111 Cb -0.56 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1gd8 s LEU 111 CO 0.38 -0.71 0.20 0.00 0.23 0.00 0.00 176.35 176.45 1gd8 s ALA 112 N -2.59 -0.50 -0.25 4.21 0.00 -0.30 -1.08 121.76 121.26 1gd8 s ALA 112 Ca 0.48 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1gd8 s ALA 112 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1gd8 s ALA 112 CO 0.39 -0.16 0.27 -1.17 0.00 0.00 0.00 175.76 175.08 1gd8 s LEU 113 N -0.64 4.08 -0.11 0.00 1.98 0.89 -2.35 118.68 122.53 1gd8 s LEU 113 Ca -0.07 0.21 -0.01 0.00 -2.89 0.00 0.00 54.13 51.37 1gd8 s LEU 113 Cb -0.04 -2.28 -0.02 0.00 0.66 0.00 0.00 46.19 44.51 1gd8 s LEU 113 CO 0.01 -0.05 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.65 1gd8 s VAL 114 N 1.53 3.54 0.17 1.68 1.01 1.00 -0.11 120.40 129.23 1gd8 s VAL 114 Ca 0.12 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1gd8 s VAL 114 Cb -0.15 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1gd8 s VAL 114 CO 0.08 0.54 0.79 -1.83 0.00 0.00 0.00 175.10 174.68 1gd8 s GLU 115 N -0.13 1.36 0.16 2.72 -1.05 -0.58 -0.50 118.70 120.67 1gd8 s GLU 115 Ca 0.01 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 53.85 1gd8 s GLU 115 Cb -0.13 0.51 -0.07 0.00 -0.44 0.00 0.00 34.13 34.00 1gd8 s GLU 115 CO 0.03 -0.61 0.98 -0.51 0.95 0.00 0.00 175.26 176.10 1gd8 s LEU 116 N -2.82 4.54 0.45 1.83 1.43 -1.23 0.26 118.68 123.14 1gd8 s LEU 116 Ca 0.08 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1gd8 s LEU 116 Cb -0.03 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1gd8 s LEU 116 CO -0.01 -0.03 1.09 0.54 0.23 0.00 0.00 176.35 178.17 1gd8 s VAL 117 N -0.40 3.50 0.00 -1.59 0.11 0.30 -4.79 120.40 117.53 1gd8 s VAL 117 Ca 0.46 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.58 1gd8 s VAL 117 Cb -0.25 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1gd8 s VAL 117 CO 0.32 -0.07 0.00 1.21 -3.33 0.00 0.00 175.10 173.23