#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 0.27 6.43 4.64 -2.05 -2.05 113.55 120.78 1gd8 h SER 15 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1gd8 h SER 15 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1gd8 h SER 15 CO 0.00 0.05 -0.99 0.45 -0.87 0.00 0.00 176.83 175.46 1gd8 h HIS 16 N 0.00 0.72 0.36 4.77 -0.00 -2.05 -2.67 115.15 116.27 1gd8 h HIS 16 Ca -0.00 -0.40 -0.02 0.00 -0.00 0.00 0.00 60.37 59.95 1gd8 h HIS 16 Cb 0.64 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1gd8 h HIS 16 CO 0.00 1.23 -0.17 0.00 -0.00 0.00 0.00 177.93 178.99 1gd8 h ARG 17 N 0.26 -0.46 -0.79 2.45 3.08 -1.87 -2.87 114.38 114.18 1gd8 h ARG 17 Ca -0.10 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.07 1gd8 h ARG 17 Cb 1.64 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.74 1gd8 h ARG 17 CO 0.18 -0.17 0.52 -0.07 -1.07 0.00 0.00 179.97 179.36 1gd8 h LEU 18 N -0.76 0.70 -0.94 3.04 -0.00 -1.46 -0.28 115.31 115.62 1gd8 h LEU 18 Ca -0.05 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 1gd8 h LEU 18 Cb 0.51 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 1gd8 h LEU 18 CO 0.08 0.43 0.15 0.00 -0.00 0.00 0.00 178.44 179.11 1gd8 h ALA 19 N 1.59 1.14 0.67 1.53 0.00 -1.46 -1.14 119.26 121.58 1gd8 h ALA 19 Ca 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gd8 h ALA 19 Cb 0.35 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gd8 h ALA 19 CO -0.13 0.58 -0.32 -0.07 0.00 0.00 0.00 179.25 179.31 1gd8 h LEU 20 N 0.89 -0.77 -0.73 0.00 3.38 -0.94 -2.24 115.31 114.91 1gd8 h LEU 20 Ca 0.19 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.31 1gd8 h LEU 20 Cb 0.31 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 1gd8 h LEU 20 CO -0.00 -0.39 -0.22 1.88 0.09 0.00 0.00 178.44 179.79 1gd8 h TYR 21 N -1.19 -0.53 -0.41 1.13 0.99 -1.00 0.28 116.97 116.25 1gd8 h TYR 21 Ca -0.09 0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.75 1gd8 h TYR 21 Cb 0.71 0.34 -0.04 0.00 1.00 0.00 0.00 36.73 38.75 1gd8 h TYR 21 CO 0.00 -0.34 0.16 -0.09 -0.00 0.00 0.00 178.16 177.90 1gd8 h ARG 22 N -0.03 0.33 -0.51 4.88 2.43 -1.21 0.47 114.38 120.74 1gd8 h ARG 22 Ca 0.33 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1gd8 h ARG 22 Cb 0.55 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1gd8 h ARG 22 CO -0.76 0.22 -0.04 -2.95 -1.51 0.00 0.00 179.97 174.93 1gd8 h ASN 23 N 0.34 0.92 -0.34 -3.80 -1.07 -0.23 -1.75 115.58 109.65 1gd8 h ASN 23 Ca 0.18 -0.32 -0.09 0.00 0.07 0.00 0.00 56.30 56.14 1gd8 h ASN 23 Cb 0.14 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.14 1gd8 h ASN 23 CO -0.17 1.02 -0.15 1.56 0.07 0.00 0.00 177.43 179.76 1gd8 h GLN 24 N 0.79 0.71 -0.49 4.14 4.20 -0.15 -2.91 115.11 121.40 1gd8 h GLN 24 Ca 0.14 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1gd8 h GLN 24 Cb 0.57 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1gd8 h GLN 24 CO 0.03 0.90 0.09 0.00 -0.67 0.00 0.00 178.83 179.19 1gd8 h ALA 25 N 0.79 1.24 -0.10 3.87 0.00 -0.02 -1.26 119.26 123.77 1gd8 h ALA 25 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gd8 h ALA 25 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1gd8 h ALA 25 CO 0.05 0.52 0.03 0.87 0.00 0.00 0.00 179.25 180.72 1gd8 h LYS 26 N 0.73 0.07 -0.89 0.00 1.57 -1.21 -0.24 116.57 116.60 1gd8 h LYS 26 Ca 0.16 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1gd8 h LYS 26 Cb 0.31 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1gd8 h LYS 26 CO 0.00 0.05 0.53 0.77 -0.57 0.00 0.00 179.45 180.23 1gd8 h SER 27 N 0.07 1.08 -0.53 0.86 0.02 -1.30 -1.73 113.55 112.02 1gd8 h SER 27 Ca 0.04 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1gd8 h SER 27 Cb 0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1gd8 h SER 27 CO -0.05 0.84 0.10 0.25 -1.14 0.00 0.00 176.83 176.82 1gd8 h LEU 28 N 1.23 0.83 -0.60 5.07 7.12 -0.79 -0.89 115.31 127.28 1gd8 h LEU 28 Ca 0.32 -0.25 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 1gd8 h LEU 28 Cb -0.04 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 1gd8 h LEU 28 CO -0.06 0.87 -0.35 -0.07 -0.13 0.00 0.00 178.44 178.70 1gd8 h LEU 29 N 0.76 0.00 0.00 2.25 -0.00 -0.87 0.12 115.31 117.56 1gd8 h LEU 29 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1gd8 h LEU 29 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1gd8 h LEU 29 CO 0.01 0.35 -0.01 0.74 -0.00 0.00 0.00 178.44 179.53 1gd8 h THR 30 N 0.00 0.49 0.00 0.22 2.02 -1.14 -3.38 112.91 111.11 1gd8 h THR 30 Ca -0.00 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1gd8 h THR 30 Cb 1.03 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1gd8 h THR 30 CO 0.05 0.17 -0.47 0.45 0.37 0.00 0.00 175.52 176.08 1gd8 h HIS 31 N -1.00 0.00 0.00 3.16 3.86 -1.29 -3.48 115.15 116.40 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 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1gd8 h HIS 31 CO 0.07 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.27 1gd8 n GLY 32 N 1.32 1.42 3.39 2.45 0.00 0.40 -5.00 105.19 109.17 1gd8 n GLY 32 Ca 0.04 0.00 -0.14 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 -0.28 1.00 0.03 1.61 1.70 -1.21 -3.39 118.95 118.42 1gd8 s ARG 33 Ca 0.00 -0.19 -0.20 0.00 -0.47 0.00 0.00 55.73 54.87 1gd8 s ARG 33 Cb 0.00 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.88 1gd8 s ARG 33 CO 0.00 -0.35 0.45 -1.50 -1.08 0.00 0.00 175.30 172.82 1gd8 s ILE 34 N -2.23 0.04 -0.05 4.99 -1.16 0.19 -4.44 121.20 118.54 1gd8 s ILE 34 Ca -0.07 -0.37 0.03 0.00 -0.51 0.00 0.00 60.65 59.74 1gd8 s ILE 34 Cb -0.01 -0.93 0.00 0.00 0.61 0.00 0.00 42.46 42.14 1gd8 s ILE 34 CO -0.00 -0.20 -0.15 -0.89 -2.81 0.00 0.00 174.94 170.89 1gd8 s THR 35 N -2.26 1.29 0.09 4.00 2.01 -1.26 -0.10 115.64 119.41 1gd8 s THR 35 Ca -0.06 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1gd8 s THR 35 Cb -0.01 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1gd8 s THR 35 CO -0.01 0.38 0.16 0.41 -0.69 0.00 0.00 174.62 174.87 1gd8 n THR 36 N 3.42 0.00 -1.07 -0.82 -1.04 -0.92 -5.00 114.28 108.85 1gd8 n THR 36 Ca -0.20 -0.34 -0.31 0.00 -2.04 0.00 0.00 64.05 61.16 1gd8 n THR 36 Cb 0.53 0.26 0.12 0.00 -1.82 0.00 0.00 70.33 69.41 1gd8 n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1gd8 s THR 37 N -2.66 2.80 0.15 12.58 -4.23 -1.26 -1.59 115.64 121.43 1gd8 s THR 37 Ca 0.05 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1gd8 s THR 37 Cb -0.01 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1gd8 s THR 37 CO 0.04 -0.33 1.75 0.58 -0.54 0.00 0.00 174.62 176.12 1gd8 h VAL 38 N -1.34 1.17 0.14 2.29 2.07 -1.80 -0.85 116.25 117.93 1gd8 h VAL 38 Ca -0.44 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1gd8 h VAL 38 Cb 1.25 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1gd8 h VAL 38 CO 0.48 0.19 -0.07 -0.65 0.02 0.00 0.00 177.57 177.54 1gd8 h PRO 39 N 0.63 -0.18 -0.53 1.57 0.11 -1.91 -1.69 132.00 130.00 1gd8 h PRO 39 Ca 0.17 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.37 1gd8 h PRO 39 Cb 0.07 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1gd8 h PRO 39 CO -0.03 -0.05 0.36 0.87 -0.21 0.00 0.00 178.00 178.94 1gd8 h LYS 40 N -0.26 0.35 -0.32 1.05 1.79 -1.91 -1.02 116.57 116.26 1gd8 h LYS 40 Ca -0.02 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1gd8 h LYS 40 Cb 0.21 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1gd8 h LYS 40 CO 0.03 0.23 -0.40 0.00 -1.08 0.00 0.00 179.45 178.23 1gd8 h ALA 41 N 1.73 0.69 -0.13 3.86 0.00 -0.71 -2.10 119.26 122.61 1gd8 h ALA 41 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gd8 h ALA 41 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1gd8 h ALA 41 CO -0.06 0.67 0.03 0.87 0.00 0.00 0.00 179.25 180.76 1gd8 h LYS 42 N 0.63 0.20 -0.95 0.00 1.57 -0.29 -1.62 116.57 116.10 1gd8 h LYS 42 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gd8 h LYS 42 Cb 0.96 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1gd8 h LYS 42 CO 0.09 0.35 0.59 0.93 -0.57 0.00 0.00 179.45 180.84 1gd8 h GLU 43 N 0.01 1.29 -0.07 3.15 5.08 -1.35 -2.71 114.58 119.98 1gd8 h GLU 43 Ca 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1gd8 h GLU 43 Cb 0.24 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1gd8 h GLU 43 CO -0.00 0.89 0.00 1.25 -1.00 0.00 0.00 179.01 180.15 1gd8 h LEU 44 N 1.31 0.11 -0.80 1.33 6.46 -1.29 -2.40 115.31 120.03 1gd8 h LEU 44 Ca 0.34 -0.31 0.15 0.00 -0.12 0.00 0.00 57.88 57.95 1gd8 h LEU 44 Cb -0.08 -0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 39.73 1gd8 h LEU 44 CO -0.07 0.39 0.36 -0.09 -0.62 0.00 0.00 178.44 178.42 1gd8 h ARG 45 N -0.17 0.49 -0.51 1.25 2.43 -1.10 0.35 114.38 117.12 1gd8 h ARG 45 Ca 0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1gd8 h ARG 45 Cb 0.34 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1gd8 h ARG 45 CO 0.00 0.32 -0.13 0.78 -1.51 0.00 0.00 179.97 179.43 1gd8 h GLY 46 N 0.50 1.04 0.95 2.80 0.00 -1.41 -1.59 103.07 105.36 1gd8 h GLY 46 Ca 0.45 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1gd8 h GLY 46 CO -0.40 0.78 0.05 -2.75 0.00 0.00 0.00 176.54 174.21 1gd8 h PHE 47 N 0.85 0.77 -0.14 5.60 3.57 -0.62 -2.21 116.94 124.77 1gd8 h PHE 47 Ca 0.13 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1gd8 h PHE 47 Cb 0.69 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1gd8 h PHE 47 CO 0.04 0.75 -0.06 0.28 -2.23 0.00 0.00 178.31 177.10 1gd8 h VAL 48 N 0.57 1.31 -0.72 1.41 2.07 -0.97 -2.21 116.25 117.71 1gd8 h VAL 48 Ca 0.13 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.69 1gd8 h VAL 48 Cb 0.41 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1gd8 h VAL 48 CO 0.01 0.31 0.48 0.44 0.02 0.00 0.00 177.57 178.83 1gd8 h ASP 49 N -0.05 0.46 -0.51 0.57 3.32 -1.28 0.48 116.42 119.41 1gd8 h ASP 49 Ca 0.03 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1gd8 h ASP 49 Cb 0.51 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1gd8 h ASP 49 CO 0.02 0.26 0.04 -0.74 -1.72 0.00 0.00 179.24 177.09 1gd8 h HIS 50 N 0.50 0.94 -0.21 4.55 -0.00 -1.15 -1.78 115.15 117.99 1gd8 h HIS 50 Ca 0.34 -0.15 -0.18 0.00 -0.00 0.00 0.00 60.37 60.38 1gd8 h HIS 50 Cb 0.65 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 1gd8 h HIS 50 CO -0.00 0.87 -0.61 -0.07 -0.00 0.00 0.00 177.93 178.12 1gd8 h LEU 51 N 0.74 0.80 -0.97 0.26 3.38 -0.37 -3.02 115.31 116.13 1gd8 h LEU 51 Ca 0.15 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1gd8 h LEU 51 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1gd8 h LEU 51 CO 0.02 1.22 -0.29 0.40 0.09 0.00 0.00 178.44 179.87 1gd8 h ILE 52 N 0.53 1.27 -0.68 1.22 2.04 -0.95 -1.71 117.51 119.22 1gd8 h ILE 52 Ca -0.00 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1gd8 h ILE 52 Cb 1.19 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1gd8 h ILE 52 CO 0.12 0.41 0.32 -0.74 0.00 0.00 0.00 178.15 178.26 1gd8 h HIS 53 N 0.34 0.99 -0.10 1.37 2.76 -1.25 -0.39 115.15 118.87 1gd8 h HIS 53 Ca 0.05 -0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1gd8 h HIS 53 Cb 0.69 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1gd8 h HIS 53 CO 0.02 0.75 -0.67 -0.07 -1.30 0.00 0.00 177.93 176.66 1gd8 h LEU 54 N 0.95 0.50 -1.35 0.26 3.38 -1.38 -2.28 115.31 115.38 1gd8 h LEU 54 Ca 0.23 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1gd8 h LEU 54 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1gd8 h LEU 54 CO -0.03 1.03 0.02 0.00 0.09 0.00 0.00 178.44 179.55 1gd8 h ALA 55 N 0.97 1.48 -0.13 1.53 0.00 -0.95 0.14 119.26 122.30 1gd8 h ALA 55 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1gd8 h ALA 55 Cb 1.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gd8 h ALA 55 CO 0.12 0.38 -0.67 0.87 0.00 0.00 0.00 179.25 179.94 1gd8 h LYS 56 N 0.44 0.51 0.00 0.00 1.57 -0.84 -2.15 116.57 116.10 1gd8 h LYS 56 Ca 0.10 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1gd8 h LYS 56 Cb 0.26 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1gd8 h LYS 56 CO 0.01 1.00 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.67 1gd8 h ARG 57 N 0.36 0.00 -7.20 3.15 2.43 -0.79 -3.47 114.38 108.87 1gd8 h ARG 57 Ca -0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1gd8 h ARG 57 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1gd8 h ARG 57 CO 0.12 0.13 -0.37 0.41 -1.51 0.00 0.00 179.97 178.75 1gd8 n GLY 58 N -0.10 -0.31 3.66 2.80 0.00 0.43 -4.96 105.19 106.71 1gd8 n GLY 58 Ca -0.00 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.36 3.76 0.22 1.61 -4.77 -1.26 -4.98 116.67 106.88 1gd8 s ASP 59 Ca 0.17 -1.53 -0.12 0.00 -3.30 0.00 0.00 52.55 47.78 1gd8 s ASP 59 Cb -0.10 0.12 0.28 0.00 -1.09 0.00 0.00 42.92 42.14 1gd8 s ASP 59 CO 0.35 -0.69 1.64 0.17 0.70 0.00 0.00 175.17 177.35 1gd8 h LEU 60 N 1.62 -0.44 -0.29 2.11 -0.00 -1.99 0.45 115.31 116.76 1gd8 h LEU 60 Ca -0.43 0.18 -0.09 0.00 -0.00 0.00 0.00 57.88 57.53 1gd8 h LEU 60 Cb 1.28 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 42.27 1gd8 h LEU 60 CO 0.75 -0.17 -0.19 0.45 -0.00 0.00 0.00 178.44 179.28 1gd8 h HIS 61 N 0.05 0.75 -0.42 0.17 3.86 -2.00 -2.82 115.15 114.74 1gd8 h HIS 61 Ca 0.32 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1gd8 h HIS 61 Cb 0.52 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1gd8 h HIS 61 CO -0.45 0.90 0.13 0.00 0.86 0.00 0.00 177.93 179.37 1gd8 h ALA 62 N 0.73 0.55 -0.78 2.45 0.00 -1.77 -2.33 119.26 118.11 1gd8 h ALA 62 Ca 0.06 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1gd8 h ALA 62 Cb 0.72 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1gd8 h ALA 62 CO 0.05 0.20 0.51 -0.09 0.00 0.00 0.00 179.25 179.92 1gd8 h ARG 63 N 0.54 0.72 -0.01 0.00 9.65 -0.94 -1.01 114.38 123.33 1gd8 h ARG 63 Ca 0.14 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1gd8 h ARG 63 Cb 0.26 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1gd8 h ARG 63 CO -0.00 0.47 -0.01 -0.09 2.80 0.00 0.00 179.97 183.14 1gd8 h ARG 64 N 0.74 0.02 -0.02 0.20 2.43 -1.18 -2.94 114.38 113.62 1gd8 h ARG 64 Ca 0.36 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.42 1gd8 h ARG 64 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1gd8 h ARG 64 CO -0.13 0.50 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.32 1gd8 h LEU 65 N -0.47 0.06 -0.51 3.80 -0.00 -1.19 -2.33 115.31 114.68 1gd8 h LEU 65 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1gd8 h LEU 65 Cb 0.50 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 1gd8 h LEU 65 CO 0.00 0.50 0.11 0.58 -0.00 0.00 0.00 178.44 179.63 1gd8 h VAL 66 N 0.05 1.24 -0.48 1.22 2.07 -1.23 -2.18 116.25 116.94 1gd8 h VAL 66 Ca 0.00 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 1gd8 h VAL 66 Cb 0.81 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1gd8 h VAL 66 CO 0.06 0.32 -0.13 0.25 0.02 0.00 0.00 177.57 178.09 1gd8 h LEU 67 N 0.71 0.94 -1.54 2.57 6.46 -1.37 0.47 115.31 123.56 1gd8 h LEU 67 Ca 0.16 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1gd8 h LEU 67 Cb 0.36 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1gd8 h LEU 67 CO 0.00 1.09 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.80 1gd8 h ARG 68 N 0.78 0.27 0.14 1.25 2.43 -1.31 -2.88 114.38 115.05 1gd8 h ARG 68 Ca 0.12 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.99 1gd8 h ARG 68 Cb 0.69 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1gd8 h ARG 68 CO 0.05 0.31 -1.26 -0.44 -1.51 0.00 0.00 179.97 177.12 1gd8 h ASP 69 N 0.26 0.45 -3.54 -3.80 5.19 -1.07 -3.42 116.42 110.49 1gd8 h ASP 69 Ca 0.06 -0.89 -0.71 0.00 -0.62 0.00 0.00 57.03 54.87 1gd8 h ASP 69 Cb 0.22 -0.15 -0.26 0.00 0.18 0.00 0.00 39.33 39.32 1gd8 h ASP 69 CO 0.01 1.57 -0.50 -0.22 -3.12 0.00 0.00 179.24 176.97 1gd8 s LEU 70 N -7.63 4.85 -0.30 1.55 2.96 0.16 -4.80 118.68 115.47 1gd8 s LEU 70 Ca -0.17 -1.19 -0.06 0.00 -0.22 0.00 0.00 54.13 52.49 1gd8 s LEU 70 Cb 0.03 -2.00 -0.21 0.00 0.50 0.00 0.00 46.19 44.51 1gd8 s LEU 70 CO 0.80 -0.44 3.21 0.00 -1.32 0.00 0.00 176.35 178.60 1gd8 n GLN 71 N 4.96 2.12 -3.58 1.98 1.13 -1.22 -4.26 117.38 118.51 1gd8 n GLN 71 Ca -0.11 -1.13 -0.07 0.00 -1.94 0.00 0.00 57.00 53.75 1gd8 n GLN 71 Cb 0.45 -2.11 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 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 2.17 -0.36 0.05 1.08 3.68 -1.26 -5.06 116.67 116.97 1gd8 s ASP 72 Ca 0.61 0.94 -0.29 0.00 2.13 0.00 0.00 52.55 55.94 1gd8 s ASP 72 Cb 0.26 1.49 -0.17 0.00 -1.45 0.00 0.00 42.92 43.05 1gd8 s ASP 72 CO -0.01 -0.24 1.47 0.58 0.13 0.00 0.00 175.17 177.09 1gd8 h VAL 73 N 6.14 0.49 -0.90 1.11 2.07 -1.96 -1.89 116.25 121.32 1gd8 h VAL 73 Ca -0.17 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.31 1gd8 h VAL 73 Cb 1.12 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1gd8 h VAL 73 CO 0.15 0.04 0.58 0.07 0.02 0.00 0.00 177.57 178.43 1gd8 h LYS 74 N -0.79 0.51 -0.04 1.57 -0.00 -1.99 0.22 116.57 116.05 1gd8 h LYS 74 Ca -0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.65 60.52 1gd8 h LYS 74 Cb 0.56 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 1gd8 h LYS 74 CO 0.11 0.34 -0.09 -0.07 -0.00 0.00 0.00 179.45 179.74 1gd8 h LEU 75 N 0.53 0.15 -1.31 7.07 3.38 -1.97 -0.91 115.31 122.25 1gd8 h LEU 75 Ca 0.47 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1gd8 h LEU 75 Cb 0.98 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1gd8 h LEU 75 CO -0.20 0.70 0.50 0.58 0.09 0.00 0.00 178.44 180.11 1gd8 h VAL 76 N -0.39 1.06 -0.01 1.22 2.07 -0.48 0.98 116.25 120.70 1gd8 h VAL 76 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1gd8 h VAL 76 Cb 0.68 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1gd8 h VAL 76 CO 0.02 0.16 -0.00 -0.09 0.02 0.00 0.00 177.57 177.68 1gd8 h ARG 77 N 0.86 0.01 -0.28 1.57 2.43 -0.56 -2.79 114.38 115.62 1gd8 h ARG 77 Ca 0.32 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 1gd8 h ARG 77 Cb 0.18 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1gd8 h ARG 77 CO -0.11 0.34 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.31 1gd8 h LYS 78 N -0.32 -0.12 -0.26 0.20 3.64 -0.13 -2.07 116.57 117.51 1gd8 h LYS 78 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1gd8 h LYS 78 Cb 0.33 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1gd8 h LYS 78 CO 0.00 -0.08 -0.27 -0.07 -2.27 0.00 0.00 179.45 176.76 1gd8 h LEU 79 N -0.12 -0.89 0.03 5.20 3.38 -0.84 0.10 115.31 122.17 1gd8 h LEU 79 Ca 0.15 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gd8 h LEU 79 Cb 0.35 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1gd8 h LEU 79 CO -0.36 -0.30 -0.02 -0.26 0.09 0.00 0.00 178.44 177.59 1gd8 h PHE 80 N -0.27 -0.04 -0.71 1.13 -1.00 -1.20 0.28 116.94 115.13 1gd8 h PHE 80 Ca 0.14 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1gd8 h PHE 80 Cb 0.50 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1gd8 h PHE 80 CO -0.43 0.25 0.00 -0.40 -1.61 0.00 0.00 178.31 176.12 1gd8 n ASP 81 N -4.97 4.20 0.05 2.17 5.68 -0.81 -4.31 116.55 118.56 1gd8 n ASP 81 Ca -0.08 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1gd8 n ASP 81 Cb 0.17 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1gd8 n ASP 81 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1gd8 n GLU 82 N 1.48 0.00 -0.03 0.11 2.13 0.31 -4.84 120.64 119.80 1gd8 n GLU 82 Ca 0.25 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 1gd8 n GLU 82 Cb 0.70 -0.10 -0.07 0.00 0.27 0.00 0.00 31.44 32.24 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 1.28 0.10 6.31 1.08 -1.26 -3.23 117.51 121.79 1gd8 h ILE 83 Ca 0.00 -0.92 0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1gd8 h ILE 83 Cb 0.00 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1gd8 h ILE 83 CO 0.00 0.26 -0.29 0.00 -0.69 0.00 0.00 178.15 177.43 1gd8 h ALA 84 N 0.69 -0.47 -0.89 1.87 0.00 -0.65 -2.46 119.26 117.35 1gd8 h ALA 84 Ca 0.02 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1gd8 h ALA 84 Cb 0.42 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1gd8 h ALA 84 CO 0.01 -0.82 0.44 -1.35 0.00 0.00 0.00 179.25 177.53 1gd8 h PRO 85 N -0.49 0.54 -0.65 0.00 0.11 -1.75 0.03 132.00 129.79 1gd8 h PRO 85 Ca 0.04 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.23 1gd8 h PRO 85 Cb 0.53 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 1gd8 h PRO 85 CO -0.18 0.36 0.44 -0.09 -0.21 0.00 0.00 178.00 178.32 1gd8 h ARG 86 N 0.56 0.38 -0.42 1.05 2.43 -1.46 -2.59 114.38 114.32 1gd8 h ARG 86 Ca 0.52 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.58 1gd8 h ARG 86 Cb 0.85 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 1gd8 h ARG 86 CO -0.43 0.25 0.06 0.66 -1.51 0.00 0.00 179.97 179.00 1gd8 n TYR 87 N -4.47 1.45 0.28 2.20 0.53 -0.02 -4.51 117.16 112.62 1gd8 n TYR 87 Ca 0.11 -1.08 0.16 0.00 -1.02 0.00 0.00 57.90 56.08 1gd8 n TYR 87 Cb 0.44 -0.46 0.84 0.00 -1.03 0.00 0.00 39.34 39.13 1gd8 n TYR 87 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1gd8 h ARG 88 N 2.05 0.00 0.19 -0.72 -0.00 -1.23 -2.55 114.38 112.12 1gd8 h ARG 88 Ca 0.11 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.25 1gd8 h ARG 88 Cb 1.76 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.74 1gd8 h ARG 88 CO 0.41 0.06 -1.66 0.38 0.00 0.00 0.00 179.97 179.16 1gd8 h ASP 89 N 0.00 0.61 -4.17 7.04 -0.00 -1.82 -3.46 116.42 114.62 1gd8 h ASP 89 Ca -0.00 -0.85 -0.49 0.00 -0.00 0.00 0.00 57.03 55.69 1gd8 h ASP 89 Cb 0.29 -0.20 0.06 0.00 -0.00 0.00 0.00 39.33 39.48 1gd8 h ASP 89 CO 0.01 1.71 0.38 -0.13 -0.00 0.00 0.00 179.24 181.21 1gd8 s ARG 90 N -2.59 3.38 -0.33 4.15 1.81 -0.96 -4.99 118.95 119.42 1gd8 s ARG 90 Ca -0.13 1.25 0.12 0.00 -1.72 0.00 0.00 55.73 55.25 1gd8 s ARG 90 Cb 0.05 -2.04 0.46 0.00 -0.45 0.00 0.00 34.95 32.97 1gd8 s ARG 90 CO 0.87 -0.77 1.11 0.94 -0.68 0.00 0.00 175.30 176.77 1gd8 n GLN 91 N -1.84 2.72 0.00 3.54 7.27 -1.26 -4.98 117.38 122.83 1gd8 n GLN 91 Ca 0.09 -3.96 0.00 0.00 0.07 0.00 0.00 57.00 53.20 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 -0.50 2.21 3.74 1.69 0.00 -1.26 -5.07 105.19 105.99 1gd8 n GLY 92 Ca 0.28 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.70 -0.62 0.18 -0.02 0.00 -1.26 -4.89 105.19 96.88 1gd8 n GLY 93 Ca 0.00 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.83 0.00 -3.34 1.61 -1.99 -1.95 -3.45 116.97 106.03 1gd8 h TYR 94 Ca -0.64 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.44 1gd8 h TYR 94 Cb 1.36 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.84 1gd8 h TYR 94 CO 0.41 0.00 -0.73 0.99 -0.00 0.00 0.00 178.16 178.83 1gd8 s THR 95 N -3.18 3.35 -0.10 -2.88 2.01 -1.26 -0.49 115.64 113.08 1gd8 s THR 95 Ca 0.08 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1gd8 s THR 95 Cb 0.07 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1gd8 s THR 95 CO 0.65 0.52 0.01 -0.60 -0.69 0.00 0.00 174.62 174.51 1gd8 s ARG 96 N 0.30 3.17 -0.20 4.92 3.52 0.17 -4.83 118.95 125.99 1gd8 s ARG 96 Ca -0.08 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1gd8 s ARG 96 Cb -0.15 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1gd8 s ARG 96 CO 0.05 0.62 -0.14 0.08 -0.81 0.00 0.00 175.30 175.09 1gd8 s VAL 97 N -0.64 2.52 -0.27 7.11 1.01 -1.26 -1.21 120.40 127.66 1gd8 s VAL 97 Ca 0.10 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1gd8 s VAL 97 Cb -0.12 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1gd8 s VAL 97 CO 0.02 0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1gd8 s LEU 98 N 1.35 3.50 0.20 3.92 1.43 0.97 -4.94 118.68 125.11 1gd8 s LEU 98 Ca 0.05 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 1gd8 s LEU 98 Cb -0.14 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 1gd8 s LEU 98 CO -0.10 -0.18 1.35 -0.54 0.23 0.00 0.00 176.35 177.11 1gd8 s LYS 99 N 1.30 4.35 0.13 1.70 1.02 -1.26 -0.02 119.74 126.97 1gd8 s LYS 99 Ca -0.02 2.11 0.04 0.00 0.02 0.00 0.00 55.97 58.13 1gd8 s LYS 99 Cb -0.18 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1gd8 s LYS 99 CO -0.03 -0.32 0.10 -0.51 -0.92 0.00 0.00 175.35 173.68 1gd8 s LEU 100 N 0.02 3.75 0.04 3.17 1.43 -0.57 -4.91 118.68 121.61 1gd8 s LEU 100 Ca 0.58 -0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.32 1gd8 s LEU 100 Cb -0.38 -2.40 -0.17 0.00 0.03 0.00 0.00 46.19 43.27 1gd8 s LEU 100 CO 0.38 0.11 1.50 0.00 0.23 0.00 0.00 176.35 178.57 1gd8 h ALA 101 N 2.78 -0.21 -1.86 4.21 0.00 -1.96 -3.41 119.26 118.81 1gd8 h ALA 101 Ca -0.47 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 53.81 1gd8 h ALA 101 Cb 1.19 0.08 0.23 0.00 0.00 0.00 0.00 17.79 19.29 1gd8 h ALA 101 CO 0.64 -0.52 -1.14 -0.85 0.00 0.00 0.00 179.25 177.37 1gd8 n GLU 102 N -5.10 -0.68 -1.80 0.00 0.00 -1.26 -4.74 120.64 107.07 1gd8 n GLU 102 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1gd8 n GLU 102 Cb 0.18 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1gd8 n GLU 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1gd8 n ARG 103 N -0.84 0.20 -4.13 3.44 1.74 -1.26 -1.99 116.66 113.81 1gd8 n ARG 103 Ca 0.03 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 1gd8 n ARG 103 Cb 0.59 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.93 1gd8 n ARG 103 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1gd8 s ARG 104 N -1.69 0.81 0.47 5.56 1.70 -1.11 -4.88 118.95 119.81 1gd8 s ARG 104 Ca 0.00 -1.36 -0.05 0.00 -0.47 0.00 0.00 55.73 53.85 1gd8 s ARG 104 Cb 0.00 0.22 0.08 0.00 -0.57 0.00 0.00 34.95 34.69 1gd8 s ARG 104 CO 0.00 -0.20 0.19 2.89 -1.08 0.00 0.00 175.30 177.10 1gd8 n ARG 105 N -0.02 -0.28 0.00 3.89 0.00 -1.26 -1.09 116.66 117.90 1gd8 n ARG 105 Ca -0.09 -0.32 0.00 0.00 -0.00 0.00 0.00 57.85 57.45 1gd8 n ARG 105 Cb 0.63 -0.72 0.00 0.00 -0.00 0.00 0.00 32.46 32.37 1gd8 n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gd8 n GLY 106 N -0.34 2.04 0.00 2.89 0.00 -1.26 -3.21 105.19 105.32 1gd8 n GLY 106 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 3.89 0.00 -0.29 1.61 5.75 -1.26 -5.01 116.55 121.24 1gd8 n ASP 107 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 1gd8 n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1gd8 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gd8 n GLY 108 N 0.00 0.98 3.51 6.12 0.00 -0.44 -4.93 105.19 110.42 1gd8 n GLY 108 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.48 0.58 -1.48 4.61 0.00 -0.25 -4.19 120.51 118.29 1gd8 n ALA 109 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1gd8 n ALA 109 Cb 0.30 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.33 1gd8 n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gd8 n PRO 110 N 7.65 0.71 -4.30 0.00 -0.04 -1.26 -2.76 135.00 135.00 1gd8 n PRO 110 Ca 0.64 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 64.12 1gd8 n PRO 110 Cb 0.12 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.51 3.12 -0.12 1.53 1.43 -0.84 -2.70 118.68 122.60 1gd8 s LEU 111 Ca 0.62 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 1gd8 s LEU 111 Cb -0.66 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1gd8 s LEU 111 CO 0.58 -0.04 0.37 0.00 0.23 0.00 0.00 176.35 177.48 1gd8 s ALA 112 N -2.37 -0.91 -0.23 4.21 0.00 -0.62 -1.52 121.76 120.32 1gd8 s ALA 112 Ca 0.32 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1gd8 s ALA 112 Cb -0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1gd8 s ALA 112 CO 0.20 -0.19 0.16 -1.17 0.00 0.00 0.00 175.76 174.76 1gd8 s LEU 113 N -0.01 4.13 -0.09 0.00 1.98 0.97 -2.16 118.68 123.50 1gd8 s LEU 113 Ca -0.02 0.14 0.01 0.00 -2.89 0.00 0.00 54.13 51.37 1gd8 s LEU 113 Cb -0.03 -2.11 -0.02 0.00 0.66 0.00 0.00 46.19 44.68 1gd8 s LEU 113 CO 0.01 0.08 -0.10 -0.69 -1.89 0.00 0.00 176.35 173.76 1gd8 s VAL 114 N 0.95 3.40 0.16 1.68 1.01 0.86 -0.02 120.40 128.44 1gd8 s VAL 114 Ca 0.08 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1gd8 s VAL 114 Cb -0.13 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1gd8 s VAL 114 CO 0.04 0.56 0.61 -1.83 0.00 0.00 0.00 175.10 174.48 1gd8 s GLU 115 N -0.33 1.27 0.13 2.72 -1.05 -0.35 -0.64 118.70 120.44 1gd8 s GLU 115 Ca 0.04 -0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 1gd8 s GLU 115 Cb -0.13 0.58 -0.07 0.00 -0.44 0.00 0.00 34.13 34.08 1gd8 s GLU 115 CO 0.02 -0.55 1.11 -0.51 0.95 0.00 0.00 175.26 176.28 1gd8 s LEU 116 N -2.74 4.44 0.45 1.83 1.43 -1.22 0.42 118.68 123.30 1gd8 s LEU 116 Ca 0.01 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 1gd8 s LEU 116 Cb -0.01 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1gd8 s LEU 116 CO -0.13 -0.29 1.17 0.54 0.23 0.00 0.00 176.35 177.87 1gd8 s VAL 117 N 0.25 3.07 0.00 -1.59 0.11 0.36 -4.79 120.40 117.81 1gd8 s VAL 117 Ca 0.52 0.82 0.00 0.00 -2.93 0.00 0.00 61.98 60.39 1gd8 s VAL 117 Cb -0.28 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1gd8 s VAL 117 CO 0.32 0.01 0.00 1.21 -3.33 0.00 0.00 175.10 173.31