#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 -0.29 6.43 4.64 -2.05 -2.01 113.55 120.26 1gd8 h SER 15 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1gd8 h SER 15 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1gd8 h SER 15 CO 0.00 0.25 -0.07 0.45 -0.87 0.00 0.00 176.83 176.59 1gd8 h HIS 16 N 0.00 0.63 0.67 4.77 3.86 -2.06 -2.55 115.15 120.48 1gd8 h HIS 16 Ca -0.00 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1gd8 h HIS 16 Cb 0.68 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.00 1gd8 h HIS 16 CO 0.00 0.76 -0.32 0.00 0.86 0.00 0.00 177.93 179.22 1gd8 h ARG 17 N 0.33 -0.87 -0.83 2.45 3.08 -1.90 -2.83 114.38 113.81 1gd8 h ARG 17 Ca 0.07 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.28 1gd8 h ARG 17 Cb 0.55 0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 1gd8 h ARG 17 CO 0.03 -0.55 0.54 -0.07 -1.07 0.00 0.00 179.97 178.85 1gd8 h LEU 18 N -1.01 0.73 -1.13 3.04 -0.00 -1.44 0.17 115.31 115.67 1gd8 h LEU 18 Ca -0.09 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1gd8 h LEU 18 Cb 0.72 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1gd8 h LEU 18 CO 0.15 0.44 -0.05 0.00 -0.00 0.00 0.00 178.44 178.98 1gd8 h ALA 19 N 1.58 1.28 0.26 1.53 0.00 -1.41 -1.16 119.26 121.34 1gd8 h ALA 19 Ca 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gd8 h ALA 19 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gd8 h ALA 19 CO -0.15 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.70 1gd8 h LEU 20 N 0.52 -0.30 -0.75 0.00 6.46 -0.90 -2.24 115.31 118.10 1gd8 h LEU 20 Ca 0.10 -0.23 0.15 0.00 -0.12 0.00 0.00 57.88 57.78 1gd8 h LEU 20 Cb 0.41 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.28 1gd8 h LEU 20 CO 0.02 0.15 -0.20 1.88 -0.62 0.00 0.00 178.44 179.67 1gd8 h TYR 21 N -0.84 -0.44 -0.27 1.25 0.99 -0.91 0.42 116.97 117.17 1gd8 h TYR 21 Ca -0.04 0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.80 1gd8 h TYR 21 Cb 0.51 0.31 -0.04 0.00 1.00 0.00 0.00 36.73 38.52 1gd8 h TYR 21 CO 0.05 -0.33 0.04 -0.09 -0.00 0.00 0.00 178.16 177.83 1gd8 h ARG 22 N -0.01 0.13 -0.30 4.88 2.43 -1.22 0.42 114.38 120.71 1gd8 h ARG 22 Ca 0.36 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1gd8 h ARG 22 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1gd8 h ARG 22 CO -0.78 0.09 0.12 -0.97 -1.51 0.00 0.00 179.97 176.92 1gd8 h ASN 23 N 0.14 0.42 -0.32 -3.80 -0.73 -0.29 -1.52 115.58 109.47 1gd8 h ASN 23 Ca 0.13 -0.17 -0.07 0.00 1.87 0.00 0.00 56.30 58.05 1gd8 h ASN 23 Cb 0.14 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1gd8 h ASN 23 CO -0.18 0.47 -0.09 1.56 -0.37 0.00 0.00 177.43 178.83 1gd8 h GLN 24 N 0.33 0.62 -0.83 6.67 4.20 0.05 -2.97 115.11 123.18 1gd8 h GLN 24 Ca 0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1gd8 h GLN 24 Cb 0.19 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1gd8 h GLN 24 CO -0.01 0.81 0.44 0.00 -0.67 0.00 0.00 178.83 179.40 1gd8 h ALA 25 N 0.79 1.20 -0.16 3.87 0.00 -0.13 -1.18 119.26 123.65 1gd8 h ALA 25 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gd8 h ALA 25 Cb 0.58 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1gd8 h ALA 25 CO 0.03 0.63 0.02 -0.22 0.00 0.00 0.00 179.25 179.72 1gd8 h LYS 26 N 1.17 0.08 -0.50 0.00 3.64 -1.18 -0.45 116.57 119.33 1gd8 h LYS 26 Ca 0.29 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1gd8 h LYS 26 Cb 0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1gd8 h LYS 26 CO -0.04 0.05 0.12 0.77 -2.27 0.00 0.00 179.45 178.08 1gd8 h SER 27 N 0.09 0.71 -0.39 4.20 0.02 -1.34 -1.84 113.55 115.00 1gd8 h SER 27 Ca 0.07 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1gd8 h SER 27 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1gd8 h SER 27 CO -0.11 0.71 -0.03 0.25 -1.14 0.00 0.00 176.83 176.51 1gd8 h LEU 28 N 0.74 0.70 -0.82 5.07 6.46 -0.69 -1.32 115.31 125.44 1gd8 h LEU 28 Ca 0.16 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.53 1gd8 h LEU 28 Cb 0.28 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1gd8 h LEU 28 CO -0.00 0.86 -0.32 -0.07 -0.62 0.00 0.00 178.44 178.29 1gd8 h LEU 29 N 0.53 0.00 0.03 2.25 -0.00 -0.93 0.19 115.31 117.37 1gd8 h LEU 29 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1gd8 h LEU 29 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1gd8 h LEU 29 CO 0.03 0.32 -0.02 0.74 -0.00 0.00 0.00 178.44 179.51 1gd8 h THR 30 N 0.00 0.00 0.00 0.22 2.02 -1.18 -3.39 112.91 110.58 1gd8 h THR 30 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1gd8 h THR 30 Cb 0.92 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1gd8 h THR 30 CO 0.04 0.00 -0.59 0.45 0.37 0.00 0.00 175.52 175.79 1gd8 h HIS 31 N -0.34 0.00 0.00 3.16 3.86 -1.39 -3.48 115.15 116.96 1gd8 h HIS 31 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1gd8 h HIS 31 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1gd8 h HIS 31 CO 0.02 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1gd8 n GLY 32 N 1.22 0.77 3.37 2.45 0.00 0.65 -5.03 105.19 108.63 1gd8 n GLY 32 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1gd8 n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gd8 s ARG 33 N -0.50 1.04 0.07 1.61 1.70 -1.20 -3.23 118.95 118.44 1gd8 s ARG 33 Ca 0.00 -0.36 -0.14 0.00 -0.47 0.00 0.00 55.73 54.76 1gd8 s ARG 33 Cb 0.00 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1gd8 s ARG 33 CO 0.00 -0.39 0.32 0.42 -1.08 0.00 0.00 175.30 174.57 1gd8 s ILE 34 N -2.80 0.08 -0.04 4.99 -1.09 0.56 -4.36 121.20 118.55 1gd8 s ILE 34 Ca -0.03 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 1gd8 s ILE 34 Cb -0.00 -1.04 0.01 0.00 -1.58 0.00 0.00 42.46 39.84 1gd8 s ILE 34 CO -0.05 -0.38 -0.09 0.42 -1.23 0.00 0.00 174.94 173.61 1gd8 s THR 35 N -2.98 0.85 0.00 2.92 -4.23 -1.26 0.11 115.64 111.05 1gd8 s THR 35 Ca -0.02 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1gd8 s THR 35 Cb 0.01 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1gd8 s THR 35 CO -0.06 0.28 0.00 0.35 -0.54 0.00 0.00 174.62 174.65 1gd8 n THR 36 N 3.58 0.00 -1.63 3.99 -2.24 -0.85 -5.00 114.28 112.14 1gd8 n THR 36 Ca -0.21 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 1gd8 n THR 36 Cb 0.53 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.32 3.85 0.15 4.28 -4.23 -1.26 -0.88 115.64 115.23 1gd8 s THR 37 Ca 0.00 0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 1gd8 s THR 37 Cb 0.00 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.54 1gd8 s THR 37 CO 0.00 -0.73 1.75 0.58 -0.54 0.00 0.00 174.62 175.69 1gd8 h VAL 38 N -0.52 0.91 0.24 2.29 2.07 -1.79 -0.99 116.25 118.46 1gd8 h VAL 38 Ca -0.44 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gd8 h VAL 38 Cb 1.22 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1gd8 h VAL 38 CO 0.56 0.05 -0.11 -0.65 0.02 0.00 0.00 177.57 177.43 1gd8 h PRO 39 N 0.27 -0.31 -0.33 1.57 0.11 -1.93 -2.06 132.00 129.32 1gd8 h PRO 39 Ca 0.15 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.36 1gd8 h PRO 39 Cb 0.12 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1gd8 h PRO 39 CO -0.15 -0.13 0.23 0.87 -0.21 0.00 0.00 178.00 178.61 1gd8 h LYS 40 N -0.42 0.08 -0.43 1.05 1.57 -1.92 -0.42 116.57 116.09 1gd8 h LYS 40 Ca -0.03 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1gd8 h LYS 40 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1gd8 h LYS 40 CO 0.05 0.06 -0.30 0.00 -0.57 0.00 0.00 179.45 178.69 1gd8 h ALA 41 N 1.83 0.65 -0.28 3.86 0.00 -0.85 -1.37 119.26 123.10 1gd8 h ALA 41 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1gd8 h ALA 41 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1gd8 h ALA 41 CO -0.01 0.68 0.02 0.87 0.00 0.00 0.00 179.25 180.80 1gd8 h LYS 42 N 0.80 0.49 -0.67 0.00 1.57 -0.40 -1.49 116.57 116.86 1gd8 h LYS 42 Ca 0.08 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1gd8 h LYS 42 Cb 0.89 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1gd8 h LYS 42 CO 0.08 0.62 0.33 0.93 -0.57 0.00 0.00 179.45 180.84 1gd8 h GLU 43 N 0.28 0.95 0.10 3.15 5.08 -1.26 -2.80 114.58 120.08 1gd8 h GLU 43 Ca 0.08 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1gd8 h GLU 43 Cb 0.39 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1gd8 h GLU 43 CO 0.01 0.73 -0.05 1.25 -1.00 0.00 0.00 179.01 179.96 1gd8 h LEU 44 N 0.95 -0.11 -1.49 1.33 7.12 -1.08 -2.45 115.31 119.58 1gd8 h LEU 44 Ca 0.23 -0.29 0.13 0.00 0.13 0.00 0.00 57.88 58.08 1gd8 h LEU 44 Cb 0.09 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.20 1gd8 h LEU 44 CO -0.03 0.24 0.50 0.08 -0.13 0.00 0.00 178.44 179.10 1gd8 h ARG 45 N -0.47 0.52 -0.16 1.25 -0.00 -1.15 0.96 114.38 115.34 1gd8 h ARG 45 Ca -0.01 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.98 59.76 1gd8 h ARG 45 Cb 0.39 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.97 30.24 1gd8 h ARG 45 CO 0.02 0.34 -0.62 0.78 -0.00 0.00 0.00 179.97 180.50 1gd8 h GLY 46 N 0.54 0.61 0.83 0.08 0.00 -1.44 -1.34 103.07 102.34 1gd8 h GLY 46 Ca 0.36 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1gd8 h GLY 46 CO -0.13 0.68 0.02 -2.75 0.00 0.00 0.00 176.54 174.36 1gd8 h PHE 47 N 0.41 0.38 -0.26 5.60 3.57 -0.41 -2.39 116.94 123.84 1gd8 h PHE 47 Ca -0.01 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1gd8 h PHE 47 Cb 1.18 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1gd8 h PHE 47 CO 0.05 0.52 -0.02 0.28 -2.23 0.00 0.00 178.31 176.91 1gd8 h VAL 48 N 0.13 1.27 -0.80 1.41 2.07 -0.98 -2.37 116.25 116.98 1gd8 h VAL 48 Ca 0.06 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.72 1gd8 h VAL 48 Cb 0.36 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1gd8 h VAL 48 CO 0.01 0.31 0.52 0.44 0.02 0.00 0.00 177.57 178.87 1gd8 h ASP 49 N 0.25 0.60 -0.45 0.57 3.32 -1.25 0.36 116.42 119.82 1gd8 h ASP 49 Ca 0.07 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1gd8 h ASP 49 Cb 0.46 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1gd8 h ASP 49 CO 0.02 0.34 -0.13 -0.74 -1.72 0.00 0.00 179.24 177.01 1gd8 h HIS 50 N 0.66 1.04 -0.27 4.55 -0.00 -1.18 -1.95 115.15 118.00 1gd8 h HIS 50 Ca 0.38 -0.21 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1gd8 h HIS 50 Cb 0.57 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1gd8 h HIS 50 CO -0.00 0.99 -0.23 -0.07 -0.00 0.00 0.00 177.93 178.62 1gd8 h LEU 51 N 0.83 0.68 -1.11 0.26 3.38 -0.56 -2.97 115.31 115.81 1gd8 h LEU 51 Ca 0.13 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 1gd8 h LEU 51 Cb 0.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1gd8 h LEU 51 CO 0.05 0.99 -0.27 0.40 0.09 0.00 0.00 178.44 179.70 1gd8 h ILE 52 N 0.37 1.25 -0.52 1.22 2.04 -0.97 -1.38 117.51 119.52 1gd8 h ILE 52 Ca 0.05 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1gd8 h ILE 52 Cb 0.78 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1gd8 h ILE 52 CO 0.06 0.37 0.34 -0.74 0.00 0.00 0.00 178.15 178.17 1gd8 h HIS 53 N 0.25 0.64 -0.12 1.37 2.76 -1.24 0.22 115.15 119.03 1gd8 h HIS 53 Ca 0.04 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 1gd8 h HIS 53 Cb 0.62 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1gd8 h HIS 53 CO 0.01 0.39 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.45 1gd8 h LEU 54 N 0.69 0.36 -1.18 0.26 3.38 -1.34 -1.75 115.31 115.73 1gd8 h LEU 54 Ca 0.20 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1gd8 h LEU 54 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1gd8 h LEU 54 CO -0.06 0.81 -0.23 0.00 0.09 0.00 0.00 178.44 179.06 1gd8 h ALA 55 N 1.20 1.31 -0.22 1.53 0.00 -0.68 0.30 119.26 122.70 1gd8 h ALA 55 Ca 0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1gd8 h ALA 55 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1gd8 h ALA 55 CO 0.08 0.46 -0.66 0.87 0.00 0.00 0.00 179.25 180.01 1gd8 h LYS 56 N 0.26 0.82 0.00 0.00 1.79 -0.51 -2.48 116.57 116.45 1gd8 h LYS 56 Ca 0.04 -0.59 -0.03 0.00 -2.18 0.00 0.00 60.65 57.89 1gd8 h LYS 56 Cb 0.55 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1gd8 h LYS 56 CO 0.04 1.21 -0.14 -0.09 -1.08 0.00 0.00 179.45 179.39 1gd8 h ARG 57 N 0.60 0.00 -7.00 3.15 2.43 -0.88 -3.47 114.38 109.21 1gd8 h ARG 57 Ca -0.02 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 1gd8 h ARG 57 Cb 1.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1gd8 h ARG 57 CO 0.14 0.14 -0.44 0.41 -1.51 0.00 0.00 179.97 178.71 1gd8 n GLY 58 N -0.46 -0.39 3.55 2.80 0.00 0.06 -4.96 105.19 105.78 1gd8 n GLY 58 Ca -0.01 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1gd8 n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gd8 s ASP 59 N -4.05 3.16 0.42 1.61 -4.77 -1.26 -5.00 116.67 106.78 1gd8 s ASP 59 Ca 0.18 -1.40 0.11 0.00 -3.30 0.00 0.00 52.55 48.14 1gd8 s ASP 59 Cb -0.10 -0.16 0.97 0.00 -1.09 0.00 0.00 42.92 42.54 1gd8 s ASP 59 CO 0.41 -0.57 2.00 0.17 0.70 0.00 0.00 175.17 177.89 1gd8 h LEU 60 N 1.90 0.41 -0.04 2.11 -0.00 -1.99 -0.65 115.31 117.05 1gd8 h LEU 60 Ca -0.42 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.21 1gd8 h LEU 60 Cb 1.25 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1gd8 h LEU 60 CO 0.74 0.26 -1.08 0.45 -0.00 0.00 0.00 178.44 178.82 1gd8 h HIS 61 N 0.47 0.70 -0.37 0.17 3.86 -1.99 -2.98 115.15 115.00 1gd8 h HIS 61 Ca 0.24 -0.42 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1gd8 h HIS 61 Cb 0.35 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1gd8 h HIS 61 CO -0.00 1.27 -0.01 0.00 0.86 0.00 0.00 177.93 180.05 1gd8 h ALA 62 N 0.59 0.50 -0.06 2.45 0.00 -1.73 -2.39 119.26 118.62 1gd8 h ALA 62 Ca -0.12 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1gd8 h ALA 62 Cb 1.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1gd8 h ALA 62 CO 0.19 0.28 0.04 -0.09 0.00 0.00 0.00 179.25 179.67 1gd8 h ARG 63 N 0.47 0.00 0.06 0.00 2.43 -1.20 -0.85 114.38 115.30 1gd8 h ARG 63 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1gd8 h ARG 63 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1gd8 h ARG 63 CO 0.02 0.00 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.36 1gd8 h ARG 64 N 0.00 -0.08 0.00 0.20 2.43 -1.30 -2.85 114.38 112.77 1gd8 h ARG 64 Ca 0.03 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1gd8 h ARG 64 Cb 0.11 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1gd8 h ARG 64 CO -0.00 0.41 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.42 1gd8 h LEU 65 N -0.63 0.00 -0.33 3.80 3.38 -1.09 -1.80 115.31 118.65 1gd8 h LEU 65 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1gd8 h LEU 65 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1gd8 h LEU 65 CO 0.01 0.38 0.05 0.58 0.09 0.00 0.00 178.44 179.55 1gd8 h VAL 66 N 0.00 1.24 -0.17 1.22 2.07 -1.21 -2.24 116.25 117.15 1gd8 h VAL 66 Ca -0.00 -0.84 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1gd8 h VAL 66 Cb 0.68 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1gd8 h VAL 66 CO 0.05 0.28 -0.47 -0.07 0.02 0.00 0.00 177.57 177.38 1gd8 h LEU 67 N 0.38 0.46 -1.42 2.57 3.38 -1.31 0.33 115.31 119.70 1gd8 h LEU 67 Ca 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1gd8 h LEU 67 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1gd8 h LEU 67 CO 0.01 0.86 -0.26 -0.09 0.09 0.00 0.00 178.44 179.05 1gd8 h ARG 68 N 0.35 0.05 0.05 1.13 2.43 -1.18 -3.08 114.38 114.13 1gd8 h ARG 68 Ca 0.02 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 1gd8 h ARG 68 Cb 0.95 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1gd8 h ARG 68 CO 0.08 0.30 -0.85 -0.44 -1.51 0.00 0.00 179.97 177.55 1gd8 h ASP 69 N 0.04 0.16 -3.59 -3.80 3.32 -1.13 -3.43 116.42 107.99 1gd8 h ASP 69 Ca 0.01 -0.81 -0.70 0.00 0.02 0.00 0.00 57.03 55.54 1gd8 h ASP 69 Cb 0.48 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 39.76 1gd8 h ASP 69 CO 0.03 1.36 -0.48 -0.76 -1.72 0.00 0.00 179.24 177.68 1gd8 s LEU 70 N -7.89 4.75 -0.94 1.55 1.43 0.11 -4.93 118.68 112.77 1gd8 s LEU 70 Ca -0.22 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.05 1gd8 s LEU 70 Cb 0.02 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1gd8 s LEU 70 CO 0.70 -0.35 2.93 0.00 0.23 0.00 0.00 176.35 179.85 1gd8 n GLN 71 N 5.08 3.30 -3.50 1.70 6.02 -1.23 -4.20 117.38 124.56 1gd8 n GLN 71 Ca -0.12 -2.29 -0.11 0.00 -0.01 0.00 0.00 57.00 54.47 1gd8 n GLN 71 Cb 0.48 -2.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.20 1gd8 n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1gd8 s ASP 72 N 1.29 0.27 0.02 1.08 2.15 -1.26 -5.07 116.67 115.14 1gd8 s ASP 72 Ca 0.63 0.43 -0.27 0.00 0.43 0.00 0.00 52.55 53.77 1gd8 s ASP 72 Cb 0.25 1.01 -0.16 0.00 -0.30 0.00 0.00 42.92 43.73 1gd8 s ASP 72 CO -0.09 -0.28 1.23 0.58 -0.17 0.00 0.00 175.17 176.45 1gd8 h VAL 73 N 6.21 0.36 -1.08 1.11 2.07 -1.96 -2.15 116.25 120.81 1gd8 h VAL 73 Ca -0.17 -0.39 0.37 0.00 0.82 0.00 0.00 66.70 67.33 1gd8 h VAL 73 Cb 1.14 0.48 -0.15 0.00 -1.52 0.00 0.00 31.29 31.24 1gd8 h VAL 73 CO 0.21 0.05 0.63 0.07 0.02 0.00 0.00 177.57 178.55 1gd8 h LYS 74 N -0.98 0.19 0.03 1.57 -0.00 -1.99 0.30 116.57 115.69 1gd8 h LYS 74 Ca -0.07 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.65 60.45 1gd8 h LYS 74 Cb 0.62 -0.04 0.01 0.00 -0.00 0.00 0.00 32.23 32.82 1gd8 h LYS 74 CO 0.12 0.12 -0.49 -0.07 -0.00 0.00 0.00 179.45 179.13 1gd8 h LEU 75 N 0.19 0.38 -1.71 7.07 3.38 -1.98 -1.52 115.31 121.12 1gd8 h LEU 75 Ca 0.78 -0.83 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1gd8 h LEU 75 Cb 2.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1gd8 h LEU 75 CO -0.59 1.16 0.16 0.58 0.09 0.00 0.00 178.44 179.84 1gd8 h VAL 76 N -0.36 1.08 0.07 1.22 2.07 -0.38 0.67 116.25 120.61 1gd8 h VAL 76 Ca -0.07 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1gd8 h VAL 76 Cb 1.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1gd8 h VAL 76 CO 0.09 0.08 -0.03 0.03 0.02 0.00 0.00 177.57 177.76 1gd8 h ARG 77 N 0.36 -0.09 -0.49 1.57 3.08 -0.48 -2.81 114.38 115.53 1gd8 h ARG 77 Ca 0.10 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.24 1gd8 h ARG 77 Cb -0.02 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1gd8 h ARG 77 CO -0.02 0.28 0.05 -0.22 -1.07 0.00 0.00 179.97 178.99 1gd8 h LYS 78 N -0.46 0.17 0.01 0.04 3.64 -0.28 -1.67 116.57 118.02 1gd8 h LYS 78 Ca -0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1gd8 h LYS 78 Cb 0.40 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1gd8 h LYS 78 CO 0.02 0.11 -0.49 -0.07 -2.27 0.00 0.00 179.45 176.75 1gd8 h LEU 79 N 0.18 -1.51 -0.05 5.20 3.38 -0.88 0.27 115.31 121.90 1gd8 h LEU 79 Ca 0.24 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1gd8 h LEU 79 Cb 0.35 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1gd8 h LEU 79 CO -0.36 -0.48 0.03 -0.26 0.09 0.00 0.00 178.44 177.46 1gd8 h PHE 80 N -0.63 0.06 -0.05 1.13 -1.00 -1.25 0.35 116.94 115.56 1gd8 h PHE 80 Ca 0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1gd8 h PHE 80 Cb 0.66 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1gd8 h PHE 80 CO -0.50 0.09 0.00 -0.25 -1.61 0.00 0.00 178.31 176.04 1gd8 n ASP 81 N -5.03 2.07 0.10 2.17 10.43 -0.65 -4.34 116.55 121.30 1gd8 n ASP 81 Ca -0.06 -1.69 0.00 0.00 2.57 0.00 0.00 54.79 55.60 1gd8 n ASP 81 Cb 0.05 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1gd8 n ASP 81 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1gd8 n GLU 82 N 0.61 0.00 -0.06 -1.24 2.13 0.89 -4.85 120.64 118.12 1gd8 n GLU 82 Ca 0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 1gd8 n GLU 82 Cb 0.44 -0.12 -0.07 0.00 0.27 0.00 0.00 31.44 31.97 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 1.33 -0.04 6.31 1.08 -1.07 -3.23 117.51 121.89 1gd8 h ILE 83 Ca 0.00 -1.24 0.02 0.00 -0.39 0.00 0.00 64.86 63.25 1gd8 h ILE 83 Cb 0.00 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1gd8 h ILE 83 CO 0.00 0.37 -0.07 0.00 -0.69 0.00 0.00 178.15 177.76 1gd8 h ALA 84 N 0.65 -0.04 -0.87 1.87 0.00 -0.52 -2.49 119.26 117.85 1gd8 h ALA 84 Ca 0.03 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1gd8 h ALA 84 Cb 0.64 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1gd8 h ALA 84 CO 0.03 -0.55 0.43 -1.35 0.00 0.00 0.00 179.25 177.81 1gd8 h PRO 85 N -0.10 0.53 -0.73 0.00 0.11 -1.76 -0.31 132.00 129.74 1gd8 h PRO 85 Ca 0.04 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.27 1gd8 h PRO 85 Cb 0.16 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.10 1gd8 h PRO 85 CO -0.10 0.35 0.49 -0.09 -0.21 0.00 0.00 178.00 178.44 1gd8 h ARG 86 N 0.55 0.38 -0.39 1.05 2.43 -1.46 -2.63 114.38 114.29 1gd8 h ARG 86 Ca 0.50 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1gd8 h ARG 86 Cb 0.81 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1gd8 h ARG 86 CO -0.42 0.25 0.04 0.66 -1.51 0.00 0.00 179.97 178.99 1gd8 n TYR 87 N -4.47 1.35 0.30 2.20 4.02 -0.15 -4.54 117.16 115.87 1gd8 n TYR 87 Ca 0.14 -1.07 0.15 0.00 -0.01 0.00 0.00 57.90 57.10 1gd8 n TYR 87 Cb 0.52 -0.44 0.49 0.00 -0.02 0.00 0.00 39.34 39.89 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 1.95 0.00 0.15 -0.72 2.43 -1.21 -3.02 114.38 113.95 1gd8 h ARG 88 Ca 0.10 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1gd8 h ARG 88 Cb 1.70 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.27 1gd8 h ARG 88 CO 0.38 0.00 -0.93 0.38 -1.51 0.00 0.00 179.97 178.29 1gd8 h ASP 89 N 0.00 0.50 -4.09 -3.80 3.04 -1.81 -3.46 116.42 106.80 1gd8 h ASP 89 Ca 0.00 -0.94 -0.48 0.00 -3.24 0.00 0.00 57.03 52.37 1gd8 h ASP 89 Cb 0.66 -0.16 0.04 0.00 -1.04 0.00 0.00 39.33 38.83 1gd8 h ASP 89 CO 0.00 1.44 0.40 -0.60 -2.04 0.00 0.00 179.24 178.44 1gd8 s ARG 90 N -2.45 3.64 -0.41 4.15 3.52 -1.14 -5.00 118.95 121.26 1gd8 s ARG 90 Ca -0.14 1.41 0.09 0.00 -0.13 0.00 0.00 55.73 56.97 1gd8 s ARG 90 Cb 0.01 -2.07 0.43 0.00 -1.56 0.00 0.00 34.95 31.77 1gd8 s ARG 90 CO 0.84 -0.57 1.05 0.94 -0.81 0.00 0.00 175.30 176.74 1gd8 n GLN 91 N -1.14 2.73 0.00 5.12 0.00 -1.26 -4.97 117.38 117.85 1gd8 n GLN 91 Ca 0.10 -4.15 0.00 0.00 -0.00 0.00 0.00 57.00 52.95 1gd8 n GLN 91 Cb 0.52 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.81 1gd8 n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gd8 n GLY 92 N -0.34 2.05 3.71 1.69 0.00 -1.26 -5.07 105.19 105.98 1gd8 n GLY 92 Ca 0.30 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.55 -0.72 0.10 -0.02 0.00 -1.26 -4.90 105.19 96.84 1gd8 n GLY 93 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 1gd8 n GLY 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1gd8 h TYR 94 N -1.82 0.00 -3.69 1.61 -1.99 -1.96 -3.45 116.97 105.67 1gd8 h TYR 94 Ca -0.64 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.41 1gd8 h TYR 94 Cb 1.36 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.85 1gd8 h TYR 94 CO 0.39 0.75 -0.76 0.95 -0.00 0.00 0.00 178.16 179.49 1gd8 s THR 95 N -2.83 3.14 -0.07 -2.88 -4.23 -1.26 -0.85 115.64 106.65 1gd8 s THR 95 Ca 0.02 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1gd8 s THR 95 Cb 0.09 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1gd8 s THR 95 CO 0.78 0.56 -0.02 0.00 -0.54 0.00 0.00 174.62 175.40 1gd8 s ARG 96 N -0.26 2.89 -0.14 3.99 1.70 0.17 -4.83 118.95 122.46 1gd8 s ARG 96 Ca 0.02 -0.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.83 1gd8 s ARG 96 Cb -0.13 -2.72 0.01 0.00 -0.57 0.00 0.00 34.95 31.54 1gd8 s ARG 96 CO 0.03 0.69 -0.20 0.08 -1.08 0.00 0.00 175.30 174.81 1gd8 s VAL 97 N -0.88 2.21 -0.28 4.99 1.01 -1.26 -1.41 120.40 124.78 1gd8 s VAL 97 Ca 0.13 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1gd8 s VAL 97 Cb -0.11 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.43 1gd8 s VAL 97 CO 0.03 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.85 1gd8 s LEU 98 N 0.83 3.72 0.32 3.92 1.43 0.81 -4.95 118.68 124.77 1gd8 s LEU 98 Ca -0.06 -1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 51.34 1gd8 s LEU 98 Cb -0.15 -1.62 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 1gd8 s LEU 98 CO -0.02 -0.23 1.22 -0.75 0.23 0.00 0.00 176.35 176.80 1gd8 s LYS 99 N 1.15 4.42 0.41 1.70 2.20 -1.26 -0.70 119.74 127.65 1gd8 s LYS 99 Ca -0.06 2.04 0.08 0.00 -0.36 0.00 0.00 55.97 57.66 1gd8 s LYS 99 Cb -0.20 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1gd8 s LYS 99 CO -0.04 -0.07 0.36 -0.51 -0.36 0.00 0.00 175.35 174.73 1gd8 s LEU 100 N -1.75 3.37 -0.41 5.43 1.43 -0.59 -4.90 118.68 121.25 1gd8 s LEU 100 Ca 0.48 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1gd8 s LEU 100 Cb -0.36 -2.00 0.62 0.00 0.03 0.00 0.00 46.19 44.48 1gd8 s LEU 100 CO 0.47 -0.63 1.80 0.00 0.23 0.00 0.00 176.35 178.22 1gd8 n ALA 101 N -1.51 5.29 -2.53 4.21 0.00 -1.26 -4.61 120.51 120.10 1gd8 n ALA 101 Ca 0.03 -2.99 -0.32 0.00 0.00 0.00 0.00 53.44 50.17 1gd8 n ALA 101 Cb 0.62 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 1gd8 n ALA 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1gd8 s GLU 102 N -3.30 2.42 0.06 0.00 0.41 -1.26 -5.06 118.70 111.97 1gd8 s GLU 102 Ca 0.54 -0.85 0.06 0.00 -0.41 0.00 0.00 54.97 54.31 1gd8 s GLU 102 Cb 0.46 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.58 1gd8 s GLU 102 CO 0.08 0.50 -0.10 1.03 -0.49 0.00 0.00 175.26 176.28 1gd8 s ARG 103 N -0.45 2.27 -0.16 1.61 0.52 -1.26 -1.58 118.95 119.90 1gd8 s ARG 103 Ca 0.05 -0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 1gd8 s ARG 103 Cb -0.12 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 1gd8 s ARG 103 CO 0.01 0.54 1.39 0.50 0.02 0.00 0.00 175.30 177.77 1gd8 s ARG 104 N -1.85 4.15 0.25 3.54 3.52 -0.09 -4.89 118.95 123.58 1gd8 s ARG 104 Ca 0.19 1.74 -0.31 0.00 -0.13 0.00 0.00 55.73 57.22 1gd8 s ARG 104 Cb -0.11 -3.85 -0.13 0.00 -1.56 0.00 0.00 34.95 29.30 1gd8 s ARG 104 CO 0.11 -0.84 1.51 0.54 -0.81 0.00 0.00 175.30 175.81 1gd8 n ARG 105 N 6.90 2.34 0.00 5.12 1.74 -1.26 0.26 116.66 131.76 1gd8 n ARG 105 Ca 0.15 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1gd8 n ARG 105 Cb 0.45 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 1gd8 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gd8 n GLY 106 N 2.35 2.48 0.01 -0.13 0.00 -1.26 -4.69 105.19 103.95 1gd8 n GLY 106 Ca 0.11 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 0.38 3.10 0.00 1.61 5.68 -1.17 -5.02 116.55 121.12 1gd8 n ASP 107 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1gd8 n ASP 107 Cb 0.00 1.24 0.00 0.00 -1.14 0.00 0.00 41.12 41.22 1gd8 n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gd8 n GLY 108 N 2.13 0.75 3.66 6.12 0.00 0.14 -5.01 105.19 112.98 1gd8 n GLY 108 Ca -0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.45 1gd8 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gd8 n ALA 109 N -0.54 -0.14 -1.44 4.61 0.00 -1.25 -4.14 120.51 117.60 1gd8 n ALA 109 Ca 0.00 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 1gd8 n ALA 109 Cb 0.00 -2.23 0.10 0.00 0.00 0.00 0.00 19.45 17.32 1gd8 n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gd8 s PRO 110 N 2.39 2.11 0.36 0.00 0.04 -1.26 -0.91 135.00 137.72 1gd8 s PRO 110 Ca 0.91 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.98 1gd8 s PRO 110 Cb -0.94 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 1gd8 s PRO 110 CO 0.55 -1.91 0.06 -0.51 0.04 0.00 0.00 177.00 175.23 1gd8 s LEU 111 N -4.99 3.03 -0.10 -3.56 1.43 -0.61 -2.79 118.68 111.08 1gd8 s LEU 111 Ca 0.79 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1gd8 s LEU 111 Cb -0.34 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1gd8 s LEU 111 CO 0.45 -0.32 0.28 0.00 0.23 0.00 0.00 176.35 177.00 1gd8 s ALA 112 N -2.54 -0.70 -0.23 4.21 0.00 -0.06 -1.54 121.76 120.91 1gd8 s ALA 112 Ca 0.36 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 1gd8 s ALA 112 Cb 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1gd8 s ALA 112 CO 0.20 -0.14 0.14 -1.17 0.00 0.00 0.00 175.76 174.80 1gd8 s LEU 113 N 0.11 4.10 -0.08 0.00 1.98 0.12 -2.00 118.68 122.91 1gd8 s LEU 113 Ca -0.00 0.13 0.02 0.00 -2.89 0.00 0.00 54.13 51.39 1gd8 s LEU 113 Cb -0.02 -2.09 -0.02 0.00 0.66 0.00 0.00 46.19 44.72 1gd8 s LEU 113 CO 0.00 0.10 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.76 1gd8 s VAL 114 N 0.83 3.30 0.23 1.68 1.01 0.12 -0.13 120.40 127.44 1gd8 s VAL 114 Ca 0.07 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1gd8 s VAL 114 Cb -0.13 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1gd8 s VAL 114 CO 0.02 0.57 0.66 -1.83 0.00 0.00 0.00 175.10 174.52 1gd8 s GLU 115 N -0.48 1.56 0.05 2.72 -1.05 -0.50 -0.32 118.70 120.68 1gd8 s GLU 115 Ca 0.06 -0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 1gd8 s GLU 115 Cb -0.12 0.59 -0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1gd8 s GLU 115 CO 0.02 -0.70 1.05 -0.51 0.95 0.00 0.00 175.26 176.07 1gd8 s LEU 116 N -2.85 4.40 0.44 1.83 1.43 -1.20 0.42 118.68 123.15 1gd8 s LEU 116 Ca 0.07 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.75 1gd8 s LEU 116 Cb -0.04 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 1gd8 s LEU 116 CO -0.01 -0.29 1.16 0.54 0.23 0.00 0.00 176.35 177.97 1gd8 s VAL 117 N 0.79 3.16 0.00 -1.59 0.11 -0.03 -4.80 120.40 118.04 1gd8 s VAL 117 Ca 0.53 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 60.48 1gd8 s VAL 117 Cb -0.24 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1gd8 s VAL 117 CO 0.29 0.01 0.00 -0.62 -3.33 0.00 0.00 175.10 171.45