#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 -1.72 113.55 120.58 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 0.30 -0.08 0.45 -0.87 0.00 0.00 176.83 176.62 1gd8 h HIS 16 N 0.00 0.61 0.44 4.77 -0.00 -2.06 -2.70 115.15 116.20 1gd8 h HIS 16 Ca -0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.21 1gd8 h HIS 16 Cb 0.57 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1gd8 h HIS 16 CO 0.00 0.75 -0.21 0.00 -0.00 0.00 0.00 177.93 178.47 1gd8 h ARG 17 N 0.28 -0.56 -0.99 2.45 3.08 -1.90 -2.81 114.38 113.94 1gd8 h ARG 17 Ca 0.07 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.28 1gd8 h ARG 17 Cb 0.57 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.66 1gd8 h ARG 17 CO 0.03 -0.31 0.62 -0.07 -1.07 0.00 0.00 179.97 179.17 1gd8 h LEU 18 N -0.71 0.88 -0.84 3.04 -0.00 -1.38 0.01 115.31 116.31 1gd8 h LEU 18 Ca -0.06 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1gd8 h LEU 18 Cb 0.51 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 1gd8 h LEU 18 CO 0.10 0.46 0.46 0.00 -0.00 0.00 0.00 178.44 179.46 1gd8 h ALA 19 N 1.56 1.07 0.14 1.53 0.00 -1.43 -1.20 119.26 120.93 1gd8 h ALA 19 Ca 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1gd8 h ALA 19 Cb 0.55 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gd8 h ALA 19 CO -0.26 0.57 -0.07 1.25 0.00 0.00 0.00 179.25 180.75 1gd8 h LEU 20 N 1.16 -0.16 -0.67 0.00 7.12 -0.85 -1.86 115.31 120.05 1gd8 h LEU 20 Ca 0.30 -0.30 0.14 0.00 0.13 0.00 0.00 57.88 58.14 1gd8 h LEU 20 Cb 0.02 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.09 1gd8 h LEU 20 CO -0.05 0.24 0.12 1.88 -0.13 0.00 0.00 178.44 180.50 1gd8 h TYR 21 N -0.59 0.17 -0.08 1.25 0.99 -0.96 0.47 116.97 118.21 1gd8 h TYR 21 Ca -0.02 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1gd8 h TYR 21 Cb 0.45 0.03 -0.03 0.00 1.00 0.00 0.00 36.73 38.19 1gd8 h TYR 21 CO 0.05 -0.09 -0.07 -0.09 -0.00 0.00 0.00 178.16 177.96 1gd8 h ARG 22 N 0.23 -0.08 -0.41 4.88 2.43 -1.17 0.47 114.38 120.73 1gd8 h ARG 22 Ca 0.36 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1gd8 h ARG 22 Cb 0.59 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1gd8 h ARG 22 CO -0.49 -0.05 0.16 -0.97 -1.51 0.00 0.00 179.97 177.11 1gd8 h ASN 23 N -0.08 0.57 -0.33 -3.80 -0.00 -0.18 -1.78 115.58 109.99 1gd8 h ASN 23 Ca 0.06 -0.17 -0.05 0.00 -0.00 0.00 0.00 56.30 56.13 1gd8 h ASN 23 Cb 0.16 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 1gd8 h ASN 23 CO -0.13 0.58 0.01 1.56 -0.00 0.00 0.00 177.43 179.45 1gd8 h GLN 24 N 0.51 0.57 -0.98 6.67 4.20 0.15 -2.98 115.11 123.25 1gd8 h GLN 24 Ca 0.14 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1gd8 h GLN 24 Cb 0.20 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1gd8 h GLN 24 CO -0.01 0.70 0.63 0.00 -0.67 0.00 0.00 178.83 179.47 1gd8 h ALA 25 N 0.86 1.25 -0.04 3.87 0.00 0.03 -1.21 119.26 124.02 1gd8 h ALA 25 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1gd8 h ALA 25 Cb 0.43 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gd8 h ALA 25 CO 0.01 0.66 -0.05 0.87 0.00 0.00 0.00 179.25 180.75 1gd8 h LYS 26 N 1.34 -0.06 -0.57 0.00 1.79 -1.24 -0.10 116.57 117.73 1gd8 h LYS 26 Ca 0.36 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.80 1gd8 h LYS 26 Cb -0.12 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1gd8 h LYS 26 CO -0.07 -0.04 0.24 0.77 -1.08 0.00 0.00 179.45 179.27 1gd8 h SER 27 N -0.06 0.74 -0.28 0.86 0.02 -1.33 -1.36 113.55 112.12 1gd8 h SER 27 Ca 0.04 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1gd8 h SER 27 Cb 0.11 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1gd8 h SER 27 CO -0.08 0.65 0.05 0.25 -1.14 0.00 0.00 176.83 176.56 1gd8 h LEU 28 N 0.81 0.45 -1.05 5.07 7.12 -0.71 -0.87 115.31 126.12 1gd8 h LEU 28 Ca 0.20 -0.25 -0.10 0.00 0.13 0.00 0.00 57.88 57.85 1gd8 h LEU 28 Cb 0.14 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1gd8 h LEU 28 CO -0.02 0.58 -0.46 -0.07 -0.13 0.00 0.00 178.44 178.34 1gd8 h LEU 29 N 0.29 0.02 0.01 2.25 -0.00 -0.79 0.66 115.31 117.75 1gd8 h LEU 29 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1gd8 h LEU 29 Cb 0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1gd8 h LEU 29 CO 0.00 0.49 -0.00 0.74 -0.00 0.00 0.00 178.44 179.67 1gd8 h THR 30 N 0.02 1.06 0.00 0.22 2.02 -1.09 -3.39 112.91 111.76 1gd8 h THR 30 Ca -0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1gd8 h THR 30 Cb 0.83 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1gd8 h THR 30 CO 0.06 0.36 -0.76 1.41 0.37 0.00 0.00 175.52 176.96 1gd8 n HIS 31 N -4.69 0.11 0.00 3.16 8.25 -0.35 -4.97 115.22 116.73 1gd8 n HIS 31 Ca -0.06 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1gd8 n HIS 31 Cb 0.29 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1gd8 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gd8 n GLY 32 N 1.45 1.82 3.38 -1.41 0.00 0.22 -5.00 105.19 105.66 1gd8 n GLY 32 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.53 1.08 0.05 1.61 1.70 -1.24 -3.39 118.95 118.23 1gd8 s ARG 33 Ca 0.00 -0.37 -0.19 0.00 -0.47 0.00 0.00 55.73 54.70 1gd8 s ARG 33 Cb 0.00 0.49 0.04 0.00 -0.57 0.00 0.00 34.95 34.91 1gd8 s ARG 33 CO 0.00 -0.41 0.43 -1.50 -1.08 0.00 0.00 175.30 172.73 1gd8 s ILE 34 N -2.95 0.05 -0.03 4.99 -1.16 -0.06 -4.53 121.20 117.50 1gd8 s ILE 34 Ca -0.02 -0.43 0.03 0.00 -0.51 0.00 0.00 60.65 59.71 1gd8 s ILE 34 Cb -0.00 -0.96 0.00 0.00 0.61 0.00 0.00 42.46 42.12 1gd8 s ILE 34 CO -0.06 -0.24 -0.10 -0.89 -2.81 0.00 0.00 174.94 170.84 1gd8 s THR 35 N -2.49 0.89 0.00 4.00 2.01 -1.26 -0.28 115.64 118.51 1gd8 s THR 35 Ca -0.05 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1gd8 s THR 35 Cb -0.01 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1gd8 s THR 35 CO -0.02 0.28 0.00 0.35 -0.69 0.00 0.00 174.62 174.53 1gd8 n THR 36 N 3.37 0.00 -1.93 -0.82 -2.24 -0.93 -5.00 114.28 106.73 1gd8 n THR 36 Ca -0.19 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1gd8 n THR 36 Cb 0.54 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.21 2.96 0.09 4.28 -4.23 -1.26 -0.95 115.64 114.32 1gd8 s THR 37 Ca 0.00 0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1gd8 s THR 37 Cb 0.00 -3.30 -0.14 0.00 1.34 0.00 0.00 72.50 70.40 1gd8 s THR 37 CO 0.00 -0.39 1.69 0.58 -0.54 0.00 0.00 174.62 175.96 1gd8 h VAL 38 N -0.76 0.70 -0.14 2.29 2.07 -1.46 -0.88 116.25 118.08 1gd8 h VAL 38 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1gd8 h VAL 38 Cb 1.28 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1gd8 h VAL 38 CO 0.64 0.00 0.09 -0.65 0.02 0.00 0.00 177.57 177.67 1gd8 h PRO 39 N -0.34 0.19 -0.40 1.57 0.11 -1.94 -1.75 132.00 129.44 1gd8 h PRO 39 Ca -0.02 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.16 1gd8 h PRO 39 Cb 0.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1gd8 h PRO 39 CO 0.01 0.16 0.27 0.87 -0.21 0.00 0.00 178.00 179.11 1gd8 h LYS 40 N 0.17 0.18 -0.15 1.05 1.57 -1.93 -1.01 116.57 116.45 1gd8 h LYS 40 Ca 0.05 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1gd8 h LYS 40 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1gd8 h LYS 40 CO -0.01 0.12 -0.64 0.00 -0.57 0.00 0.00 179.45 178.35 1gd8 h ALA 41 N 1.80 0.59 -0.39 3.86 0.00 -0.65 -1.96 119.26 122.50 1gd8 h ALA 41 Ca 0.18 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1gd8 h ALA 41 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gd8 h ALA 41 CO -0.03 0.71 -0.13 0.87 0.00 0.00 0.00 179.25 180.67 1gd8 h LYS 42 N 0.41 0.77 -0.86 0.00 1.57 -0.35 -1.62 116.57 116.50 1gd8 h LYS 42 Ca -0.01 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1gd8 h LYS 42 Cb 1.22 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1gd8 h LYS 42 CO 0.12 0.93 0.44 0.93 -0.57 0.00 0.00 179.45 181.30 1gd8 h GLU 43 N 0.58 1.21 0.00 3.15 5.08 -1.28 -2.81 114.58 120.51 1gd8 h GLU 43 Ca 0.09 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1gd8 h GLU 43 Cb 0.67 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1gd8 h GLU 43 CO 0.05 0.91 -0.00 1.25 -1.00 0.00 0.00 179.01 180.21 1gd8 h LEU 44 N 1.20 -0.00 -1.17 1.33 7.12 -1.23 -2.33 115.31 120.23 1gd8 h LEU 44 Ca 0.30 -0.29 0.16 0.00 0.13 0.00 0.00 57.88 58.18 1gd8 h LEU 44 Cb 0.07 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.12 1gd8 h LEU 44 CO -0.04 0.29 0.60 0.08 -0.13 0.00 0.00 178.44 179.24 1gd8 h ARG 45 N -0.30 0.72 -0.26 1.25 0.11 -1.20 0.84 114.38 115.54 1gd8 h ARG 45 Ca -0.00 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.87 1gd8 h ARG 45 Cb 0.30 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1gd8 h ARG 45 CO 0.00 0.48 -0.49 0.78 0.10 0.00 0.00 179.97 180.83 1gd8 h GLY 46 N 0.74 0.77 0.78 0.08 0.00 -1.37 -1.83 103.07 102.25 1gd8 h GLY 46 Ca 0.50 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1gd8 h GLY 46 CO -0.27 0.77 0.00 -2.75 0.00 0.00 0.00 176.54 174.30 1gd8 h PHE 47 N 0.56 0.27 -0.39 5.60 3.57 -0.40 -2.23 116.94 123.92 1gd8 h PHE 47 Ca 0.02 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1gd8 h PHE 47 Cb 1.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1gd8 h PHE 47 CO 0.05 0.47 -0.30 0.28 -2.23 0.00 0.00 178.31 176.58 1gd8 h VAL 48 N -0.01 1.28 0.00 1.41 2.07 -0.98 -2.24 116.25 117.78 1gd8 h VAL 48 Ca 0.04 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 1gd8 h VAL 48 Cb 0.36 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1gd8 h VAL 48 CO 0.01 0.49 -0.23 0.44 0.02 0.00 0.00 177.57 178.29 1gd8 h ASP 49 N 0.71 0.00 -0.39 0.57 3.45 -1.33 -0.68 116.42 118.75 1gd8 h ASP 49 Ca 0.08 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.42 1gd8 h ASP 49 Cb 0.86 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 1gd8 h ASP 49 CO 0.08 0.23 -0.23 -0.74 -1.57 0.00 0.00 179.24 177.01 1gd8 h HIS 50 N 0.00 0.99 -0.13 4.55 -0.00 -1.11 -2.14 115.15 117.31 1gd8 h HIS 50 Ca -0.00 -0.26 -0.17 0.00 -0.00 0.00 0.00 60.37 59.94 1gd8 h HIS 50 Cb 0.44 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1gd8 h HIS 50 CO 0.00 1.03 -0.63 -0.07 -0.00 0.00 0.00 177.93 178.26 1gd8 h LEU 51 N 0.65 0.55 -0.78 0.26 3.38 -0.81 -3.03 115.31 115.55 1gd8 h LEU 51 Ca 0.08 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1gd8 h LEU 51 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1gd8 h LEU 51 CO 0.07 1.04 -0.39 0.40 0.09 0.00 0.00 178.44 179.65 1gd8 h ILE 52 N 0.35 1.30 -0.43 1.22 2.04 -1.12 -1.86 117.51 119.01 1gd8 h ILE 52 Ca -0.01 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.33 1gd8 h ILE 52 Cb 1.19 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1gd8 h ILE 52 CO 0.11 0.47 0.28 -0.74 0.00 0.00 0.00 178.15 178.28 1gd8 h HIS 53 N 0.39 0.53 -0.57 1.37 2.76 -1.32 -0.52 115.15 117.78 1gd8 h HIS 53 Ca 0.04 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 1gd8 h HIS 53 Cb 0.85 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 1gd8 h HIS 53 CO 0.03 0.33 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.89 1gd8 h LEU 54 N 0.57 0.99 -1.41 0.26 3.38 -1.40 -1.72 115.31 115.98 1gd8 h LEU 54 Ca 0.16 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1gd8 h LEU 54 Cb -0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1gd8 h LEU 54 CO -0.04 1.06 -0.29 0.00 0.09 0.00 0.00 178.44 179.26 1gd8 h ALA 55 N 1.04 1.38 0.03 1.53 0.00 -0.98 0.40 119.26 122.66 1gd8 h ALA 55 Ca 0.16 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1gd8 h ALA 55 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gd8 h ALA 55 CO 0.03 0.37 -1.00 0.87 0.00 0.00 0.00 179.25 179.51 1gd8 h LYS 56 N 0.00 0.38 0.00 0.00 1.57 -0.69 -2.67 116.57 115.15 1gd8 h LYS 56 Ca -0.00 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1gd8 h LYS 56 Cb 0.57 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1gd8 h LYS 56 CO 0.04 1.13 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.86 1gd8 h ARG 57 N 0.19 0.00 -6.87 3.15 2.43 -0.76 -3.47 114.38 109.06 1gd8 h ARG 57 Ca -0.09 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1gd8 h ARG 57 Cb 1.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1gd8 h ARG 57 CO 0.17 0.10 -0.25 0.41 -1.51 0.00 0.00 179.97 178.89 1gd8 n GLY 58 N -0.07 -0.23 3.70 2.80 0.00 0.08 -4.95 105.19 106.51 1gd8 n GLY 58 Ca -0.00 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.06 3.80 0.21 1.61 3.84 -1.26 -4.96 116.67 115.85 1gd8 s ASP 59 Ca 0.09 -1.64 -0.14 0.00 -0.00 0.00 0.00 52.55 50.86 1gd8 s ASP 59 Cb -0.05 0.45 0.24 0.00 -1.38 0.00 0.00 42.92 42.18 1gd8 s ASP 59 CO 0.23 -0.84 1.61 0.17 -0.00 0.00 0.00 175.17 176.34 1gd8 h LEU 60 N 1.48 -0.69 -0.30 2.11 -0.00 -2.00 -0.17 115.31 115.74 1gd8 h LEU 60 Ca -0.42 0.20 -0.18 0.00 -0.00 0.00 0.00 57.88 57.48 1gd8 h LEU 60 Cb 1.30 0.44 -0.00 0.00 -0.00 0.00 0.00 40.66 42.40 1gd8 h LEU 60 CO 0.71 -0.23 -0.52 0.45 -0.00 0.00 0.00 178.44 178.85 1gd8 h HIS 61 N -0.02 1.10 -0.27 0.17 3.86 -1.99 -2.92 115.15 115.08 1gd8 h HIS 61 Ca 0.31 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1gd8 h HIS 61 Cb 0.50 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1gd8 h HIS 61 CO -0.55 1.22 0.14 0.00 0.86 0.00 0.00 177.93 179.59 1gd8 h ALA 62 N 0.69 0.34 0.00 2.45 0.00 -1.75 -2.14 119.26 118.85 1gd8 h ALA 62 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gd8 h ALA 62 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1gd8 h ALA 62 CO 0.12 -0.11 -0.05 -0.09 0.00 0.00 0.00 179.25 179.12 1gd8 h ARG 63 N 0.30 0.00 -0.03 0.00 2.43 -1.07 -0.67 114.38 115.34 1gd8 h ARG 63 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1gd8 h ARG 63 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1gd8 h ARG 63 CO -0.01 0.05 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.37 1gd8 h ARG 64 N 0.00 0.07 -0.01 0.20 2.43 -1.22 -2.71 114.38 113.14 1gd8 h ARG 64 Ca -0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1gd8 h ARG 64 Cb 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1gd8 h ARG 64 CO 0.01 0.57 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.43 1gd8 h LEU 65 N -0.42 0.02 -0.50 3.80 -0.00 -1.04 -1.77 115.31 115.41 1gd8 h LEU 65 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 1gd8 h LEU 65 Cb 0.56 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1gd8 h LEU 65 CO 0.01 0.55 0.01 0.58 -0.00 0.00 0.00 178.44 179.58 1gd8 h VAL 66 N 0.02 1.26 -0.33 1.22 2.07 -1.17 -2.18 116.25 117.14 1gd8 h VAL 66 Ca -0.00 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 1gd8 h VAL 66 Cb 0.94 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1gd8 h VAL 66 CO 0.07 0.37 -0.37 0.25 0.02 0.00 0.00 177.57 177.92 1gd8 h LEU 67 N 0.74 0.82 -1.54 2.57 7.12 -1.34 0.29 115.31 123.95 1gd8 h LEU 67 Ca 0.14 -0.36 -0.00 0.00 0.13 0.00 0.00 57.88 57.79 1gd8 h LEU 67 Cb 0.51 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 1gd8 h LEU 67 CO 0.02 1.10 0.24 -0.09 -0.13 0.00 0.00 178.44 179.58 1gd8 h ARG 68 N 0.64 0.54 0.06 1.25 2.43 -1.11 -2.95 114.38 115.25 1gd8 h ARG 68 Ca 0.06 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1gd8 h ARG 68 Cb 0.92 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1gd8 h ARG 68 CO 0.08 0.39 -0.72 -0.44 -1.51 0.00 0.00 179.97 177.77 1gd8 h ASP 69 N 0.55 0.21 -3.45 -3.80 3.32 -1.11 -3.42 116.42 108.72 1gd8 h ASP 69 Ca 0.15 -0.88 -0.72 0.00 0.02 0.00 0.00 57.03 55.59 1gd8 h ASP 69 Cb -0.01 -0.07 -0.21 0.00 0.22 0.00 0.00 39.33 39.26 1gd8 h ASP 69 CO -0.03 1.31 -0.40 -0.76 -1.72 0.00 0.00 179.24 177.64 1gd8 s LEU 70 N -7.93 5.24 -0.05 1.55 1.43 0.99 -4.86 118.68 115.05 1gd8 s LEU 70 Ca -0.19 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1gd8 s LEU 70 Cb 0.01 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1gd8 s LEU 70 CO 0.73 -0.50 1.72 0.00 0.23 0.00 0.00 176.35 178.53 1gd8 n GLN 71 N 5.17 1.12 -3.74 1.70 1.13 -1.23 -4.31 117.38 117.21 1gd8 n GLN 71 Ca -0.11 -0.25 -0.25 0.00 -1.94 0.00 0.00 57.00 54.46 1gd8 n GLN 71 Cb 0.46 -1.10 -0.17 0.00 0.11 0.00 0.00 30.24 29.54 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 1.44 2.04 0.03 1.08 3.68 -1.26 -5.04 116.67 118.64 1gd8 s ASP 72 Ca 0.05 -0.35 -0.25 0.00 2.13 0.00 0.00 52.55 54.13 1gd8 s ASP 72 Cb 0.04 -0.46 -0.17 0.00 -1.45 0.00 0.00 42.92 40.87 1gd8 s ASP 72 CO 0.00 -0.24 1.47 0.58 0.13 0.00 0.00 175.17 177.10 1gd8 h VAL 73 N 6.40 1.04 -0.90 1.11 2.07 -1.96 -1.92 116.25 122.08 1gd8 h VAL 73 Ca -0.18 -0.52 0.18 0.00 0.82 0.00 0.00 66.70 66.99 1gd8 h VAL 73 Cb 1.13 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1gd8 h VAL 73 CO 0.28 0.13 0.58 0.07 0.02 0.00 0.00 177.57 178.65 1gd8 h LYS 74 N -0.38 0.53 -0.03 1.57 2.10 -1.99 0.17 116.57 118.54 1gd8 h LYS 74 Ca -0.01 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.55 1gd8 h LYS 74 Cb 0.31 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1gd8 h LYS 74 CO 0.02 0.35 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.55 1gd8 h LEU 75 N 0.54 0.24 -1.40 7.07 3.38 -1.96 -1.23 115.31 121.94 1gd8 h LEU 75 Ca 0.47 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1gd8 h LEU 75 Cb 0.96 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1gd8 h LEU 75 CO -0.20 0.87 0.44 0.58 0.09 0.00 0.00 178.44 180.22 1gd8 h VAL 76 N -0.38 1.06 0.12 1.22 2.07 -0.65 0.87 116.25 120.56 1gd8 h VAL 76 Ca -0.02 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1gd8 h VAL 76 Cb 0.87 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1gd8 h VAL 76 CO 0.04 0.14 -0.06 -0.09 0.02 0.00 0.00 177.57 177.62 1gd8 h ARG 77 N 0.75 -0.16 -0.34 1.57 2.43 -0.66 -2.71 114.38 115.26 1gd8 h ARG 77 Ca 0.28 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1gd8 h ARG 77 Cb 0.16 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1gd8 h ARG 77 CO -0.08 0.14 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.13 1gd8 h LYS 78 N -0.46 -0.10 -0.14 0.20 3.64 -0.31 -1.88 116.57 117.51 1gd8 h LYS 78 Ca -0.02 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1gd8 h LYS 78 Cb 0.37 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1gd8 h LYS 78 CO 0.03 -0.07 -0.51 -0.07 -2.27 0.00 0.00 179.45 176.56 1gd8 h LEU 79 N -0.11 -1.62 -0.01 5.20 3.38 -0.83 0.23 115.31 121.55 1gd8 h LEU 79 Ca 0.17 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1gd8 h LEU 79 Cb 0.37 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1gd8 h LEU 79 CO -0.41 -0.47 0.00 -0.26 0.09 0.00 0.00 178.44 177.39 1gd8 h PHE 80 N -0.56 0.02 -0.32 1.13 -1.00 -1.16 0.34 116.94 115.39 1gd8 h PHE 80 Ca 0.05 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1gd8 h PHE 80 Cb 0.67 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1gd8 h PHE 80 CO -0.56 0.18 0.00 -0.25 -1.61 0.00 0.00 178.31 176.06 1gd8 n ASP 81 N -5.00 2.95 0.05 2.17 9.92 -0.74 -4.30 116.55 121.61 1gd8 n ASP 81 Ca -0.07 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1gd8 n ASP 81 Cb 0.11 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 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 1.17 0.00 -0.07 -1.24 2.13 0.74 -4.84 120.64 118.53 1gd8 n GLU 82 Ca 0.18 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 1gd8 n GLU 82 Cb 0.53 -0.14 -0.06 0.00 0.27 0.00 0.00 31.44 32.04 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 1.31 0.15 6.31 1.08 -1.08 -3.26 117.51 122.03 1gd8 h ILE 83 Ca 0.00 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.29 1gd8 h ILE 83 Cb 0.00 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1gd8 h ILE 83 CO 0.00 0.36 -0.27 0.00 -0.69 0.00 0.00 178.15 177.55 1gd8 h ALA 84 N 0.69 -0.48 -0.90 1.87 0.00 -0.54 -2.67 119.26 117.23 1gd8 h ALA 84 Ca 0.04 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1gd8 h ALA 84 Cb 0.61 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 1gd8 h ALA 84 CO 0.03 -0.82 0.47 -1.35 0.00 0.00 0.00 179.25 177.58 1gd8 h PRO 85 N -0.50 0.57 0.00 0.00 0.11 -1.75 -0.05 132.00 130.38 1gd8 h PRO 85 Ca 0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1gd8 h PRO 85 Cb 0.52 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1gd8 h PRO 85 CO -0.14 0.38 -0.06 -0.09 -0.21 0.00 0.00 178.00 177.89 1gd8 h ARG 86 N 0.59 0.00 -0.40 1.05 2.43 -1.51 -2.36 114.38 114.18 1gd8 h ARG 86 Ca 0.52 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.67 1gd8 h ARG 86 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1gd8 h ARG 86 CO -0.42 0.06 0.01 0.66 -1.51 0.00 0.00 179.97 178.78 1gd8 n TYR 87 N -4.01 1.43 0.29 2.20 4.02 -0.05 -4.45 117.16 116.58 1gd8 n TYR 87 Ca -0.03 -0.87 0.07 0.00 -0.01 0.00 0.00 57.90 57.06 1gd8 n TYR 87 Cb 0.14 -0.41 0.32 0.00 -0.02 0.00 0.00 39.34 39.37 1gd8 n TYR 87 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1gd8 n ARG 88 N -0.14 0.07 -0.11 -0.72 3.00 -0.89 -2.56 116.66 115.31 1gd8 n ARG 88 Ca 0.25 0.42 -0.24 0.00 -0.00 0.00 0.00 57.85 58.29 1gd8 n ARG 88 Cb 1.03 -1.67 -0.11 0.00 0.00 0.00 0.00 32.46 31.71 1gd8 n ARG 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1gd8 n ASP 89 N -1.81 1.97 -4.79 6.15 2.03 -1.26 -4.98 116.55 113.86 1gd8 n ASP 89 Ca 0.01 0.20 -0.33 0.00 0.52 0.00 0.00 54.79 55.20 1gd8 n ASP 89 Cb 0.12 -0.74 0.03 0.00 -0.72 0.00 0.00 41.12 39.80 1gd8 n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1gd8 s ARG 90 N -2.49 3.08 -0.37 -0.67 1.81 -1.06 -4.99 118.95 114.25 1gd8 s ARG 90 Ca -0.33 1.30 0.11 0.00 -1.72 0.00 0.00 55.73 55.09 1gd8 s ARG 90 Cb 0.10 -1.99 0.44 0.00 -0.45 0.00 0.00 34.95 33.05 1gd8 s ARG 90 CO 0.58 -1.02 1.05 1.04 -0.68 0.00 0.00 175.30 176.28 1gd8 n GLN 91 N -2.20 2.47 0.00 3.54 6.02 -1.26 -4.97 117.38 120.97 1gd8 n GLN 91 Ca 0.10 -3.95 0.00 0.00 -0.01 0.00 0.00 57.00 53.14 1gd8 n GLN 91 Cb 0.52 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1gd8 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gd8 n GLY 92 N -0.34 2.17 3.92 1.08 0.00 -1.26 -5.05 105.19 105.71 1gd8 n GLY 92 Ca 0.26 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.68 -0.29 0.21 -0.02 0.00 -1.26 -4.84 105.19 97.32 1gd8 n GLY 93 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.67 1.61 0.99 -1.95 -3.44 116.97 108.67 1gd8 h TYR 94 Ca -0.62 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.44 1gd8 h TYR 94 Cb 1.37 0.00 -0.24 0.00 1.00 0.00 0.00 36.73 38.87 1gd8 h TYR 94 CO 0.51 0.20 -0.75 0.95 -0.00 0.00 0.00 178.16 179.07 1gd8 s THR 95 N -3.39 3.24 -0.10 -2.88 -4.23 -1.26 -0.24 115.64 106.77 1gd8 s THR 95 Ca 0.03 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1gd8 s THR 95 Cb 0.08 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1gd8 s THR 95 CO 0.66 0.56 0.00 -0.60 -0.54 0.00 0.00 174.62 174.70 1gd8 s ARG 96 N -0.30 3.17 -0.19 3.99 3.52 0.16 -4.83 118.95 124.47 1gd8 s ARG 96 Ca 0.03 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1gd8 s ARG 96 Cb -0.13 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1gd8 s ARG 96 CO 0.03 0.60 -0.13 0.08 -0.81 0.00 0.00 175.30 175.07 1gd8 s VAL 97 N -0.60 2.72 -0.28 7.11 1.01 -1.26 -1.15 120.40 127.95 1gd8 s VAL 97 Ca 0.10 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1gd8 s VAL 97 Cb -0.12 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1gd8 s VAL 97 CO 0.02 0.49 -0.05 -0.76 0.00 0.00 0.00 175.10 174.80 1gd8 s LEU 98 N 1.24 3.75 0.23 3.92 1.43 0.10 -4.94 118.68 124.40 1gd8 s LEU 98 Ca 0.03 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.38 1gd8 s LEU 98 Cb -0.14 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 1gd8 s LEU 98 CO -0.06 -0.24 1.34 -0.75 0.23 0.00 0.00 176.35 176.88 1gd8 s LYS 99 N 1.13 4.35 0.40 1.70 2.20 -1.26 -0.21 119.74 128.06 1gd8 s LYS 99 Ca -0.06 2.14 0.08 0.00 -0.36 0.00 0.00 55.97 57.77 1gd8 s LYS 99 Cb -0.20 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1gd8 s LYS 99 CO -0.04 -0.29 0.45 -0.51 -0.36 0.00 0.00 175.35 174.61 1gd8 s LEU 100 N -0.39 3.57 -0.11 5.43 1.43 -0.40 -4.90 118.68 123.31 1gd8 s LEU 100 Ca 0.56 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1gd8 s LEU 100 Cb -0.38 -2.37 -0.27 0.00 0.03 0.00 0.00 46.19 43.20 1gd8 s LEU 100 CO 0.41 -0.64 0.83 0.00 0.23 0.00 0.00 176.35 177.18 1gd8 h ALA 101 N 0.89 -0.02 -2.58 4.21 0.00 -1.95 -3.42 119.26 116.39 1gd8 h ALA 101 Ca -0.42 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.44 1gd8 h ALA 101 Cb 1.27 0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.13 1gd8 h ALA 101 CO 0.52 0.07 1.04 -1.91 0.00 0.00 0.00 179.25 178.98 1gd8 n GLU 102 N -4.52 2.77 -3.98 0.00 2.13 -1.26 -4.88 120.64 110.90 1gd8 n GLU 102 Ca -0.11 1.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.45 1gd8 n GLU 102 Cb 0.54 -2.87 -0.04 0.00 0.27 0.00 0.00 31.44 29.34 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 1.73 3.27 0.25 5.31 0.52 -1.26 -3.15 118.95 125.62 1gd8 s ARG 103 Ca 0.78 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1gd8 s ARG 103 Cb -0.50 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1gd8 s ARG 103 CO 0.34 0.53 1.19 0.50 0.02 0.00 0.00 175.30 177.88 1gd8 s ARG 104 N -3.06 4.51 -0.02 3.54 3.52 -0.38 -4.88 118.95 122.19 1gd8 s ARG 104 Ca 0.33 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.56 1gd8 s ARG 104 Cb -0.11 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1gd8 s ARG 104 CO 0.27 -0.01 1.23 -0.98 -0.81 0.00 0.00 175.30 175.00 1gd8 s ARG 105 N -0.98 4.36 0.00 5.12 1.70 -1.26 -1.02 118.95 126.88 1gd8 s ARG 105 Ca 0.49 1.74 0.00 0.00 -0.47 0.00 0.00 55.73 57.49 1gd8 s ARG 105 Cb -0.34 -3.52 0.00 0.00 -0.57 0.00 0.00 34.95 30.52 1gd8 s ARG 105 CO 0.41 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 1gd8 n GLY 106 N 3.38 0.82 0.06 3.88 0.00 -1.26 -4.73 105.19 107.33 1gd8 n GLY 106 Ca 0.11 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.64 -2.04 1.61 3.85 -1.26 -4.96 116.55 114.38 1gd8 n ASP 107 Ca 0.00 0.18 -0.09 0.00 -0.71 0.00 0.00 54.79 54.17 1gd8 n ASP 107 Cb 0.00 -0.05 0.04 0.00 -1.35 0.00 0.00 41.12 39.76 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 1.37 0.14 3.78 6.12 0.00 -0.18 -5.00 105.19 111.41 1gd8 n GLY 108 Ca 0.04 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.16 3.15 0.15 4.61 0.00 -1.25 -4.59 121.76 120.67 1gd8 s ALA 109 Ca 0.09 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 1gd8 s ALA 109 Cb -0.04 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1gd8 s ALA 109 CO 0.33 -0.12 1.59 -1.25 0.00 0.00 0.00 175.76 176.31 1gd8 s PRO 110 N -2.28 4.21 0.48 0.00 0.04 -1.26 -1.24 135.00 134.94 1gd8 s PRO 110 Ca 0.54 2.37 -0.05 0.00 0.04 0.00 0.00 61.00 63.90 1gd8 s PRO 110 Cb -0.22 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1gd8 s PRO 110 CO 0.28 -0.64 0.78 -0.51 0.04 0.00 0.00 177.00 176.95 1gd8 s LEU 111 N 1.40 3.64 -0.09 -3.56 1.43 -1.19 -1.27 118.68 119.05 1gd8 s LEU 111 Ca 0.71 0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 1gd8 s LEU 111 Cb -0.43 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 41.95 1gd8 s LEU 111 CO 0.31 -0.57 0.28 0.00 0.23 0.00 0.00 176.35 176.61 1gd8 s ALA 112 N -2.72 -0.69 -0.23 4.21 0.00 -0.12 -1.27 121.76 120.93 1gd8 s ALA 112 Ca 0.47 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1gd8 s ALA 112 Cb -0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1gd8 s ALA 112 CO 0.44 -0.15 0.15 -1.17 0.00 0.00 0.00 175.76 175.03 1gd8 s LEU 113 N -0.09 4.11 -0.10 0.00 1.98 0.71 -2.20 118.68 123.10 1gd8 s LEU 113 Ca -0.02 0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.35 1gd8 s LEU 113 Cb -0.03 -2.09 -0.02 0.00 0.66 0.00 0.00 46.19 44.71 1gd8 s LEU 113 CO 0.01 0.09 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.76 1gd8 s VAL 114 N 0.89 3.31 0.20 1.68 1.01 0.61 0.02 120.40 128.12 1gd8 s VAL 114 Ca 0.07 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1gd8 s VAL 114 Cb -0.13 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1gd8 s VAL 114 CO 0.03 0.55 0.59 -1.83 0.00 0.00 0.00 175.10 174.44 1gd8 s GLU 115 N -0.19 1.42 0.16 2.72 -1.05 -0.30 -0.89 118.70 120.57 1gd8 s GLU 115 Ca 0.01 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.79 1gd8 s GLU 115 Cb -0.13 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.05 1gd8 s GLU 115 CO 0.03 -0.62 1.04 -0.51 0.95 0.00 0.00 175.26 176.15 1gd8 s LEU 116 N -2.84 4.51 0.39 1.83 1.43 -1.22 0.36 118.68 123.15 1gd8 s LEU 116 Ca 0.06 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 54.89 1gd8 s LEU 116 Cb -0.02 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1gd8 s LEU 116 CO -0.05 -0.14 1.14 0.54 0.23 0.00 0.00 176.35 178.07 1gd8 s VAL 117 N -0.24 3.29 0.00 -1.59 0.11 0.66 -4.79 120.40 117.85 1gd8 s VAL 117 Ca 0.48 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.61 1gd8 s VAL 117 Cb -0.27 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1gd8 s VAL 117 CO 0.33 0.09 0.00 1.21 -3.33 0.00 0.00 175.10 173.40