#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h97 s LEU 2 N 0.00 4.01 0.94 1.09 1.43 -1.26 -5.03 118.68 119.85 1h97 s LEU 2 Ca 0.00 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 1h97 s LEU 2 Cb 0.00 -4.23 0.15 0.00 0.03 0.00 0.00 46.19 42.14 1h97 s LEU 2 CO 0.00 -0.96 1.15 0.42 0.23 0.00 0.00 176.35 177.19 1h97 s THR 3 N -1.51 1.97 0.19 5.49 -4.23 -1.26 -4.85 115.64 111.43 1h97 s THR 3 Ca 0.64 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1h97 s THR 3 Cb -0.30 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 70.90 1h97 s THR 3 CO 0.36 0.00 1.76 0.50 -0.54 0.00 0.00 174.62 176.70 1h97 h LYS 4 N -1.58 0.97 -0.57 3.99 3.64 -1.99 -1.00 116.57 120.02 1h97 h LYS 4 Ca -0.50 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.71 1h97 h LYS 4 Cb 1.32 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1h97 h LYS 4 CO 0.58 0.79 0.29 1.25 -2.27 0.00 0.00 179.45 180.09 1h97 h HIS 5 N 0.93 0.81 -0.59 1.91 2.76 -1.99 -0.25 115.15 118.73 1h97 h HIS 5 Ca 0.23 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1h97 h HIS 5 Cb 0.15 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1h97 h HIS 5 CO 0.01 0.61 0.31 0.93 -1.30 0.00 0.00 177.93 178.49 1h97 h GLU 6 N 0.77 0.84 -0.42 5.26 5.08 -1.82 0.44 114.58 124.73 1h97 h GLU 6 Ca 0.20 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1h97 h GLU 6 Cb 0.09 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1h97 h GLU 6 CO -0.03 0.65 0.14 0.37 -1.00 0.00 0.00 179.01 179.15 1h97 h GLN 7 N 0.80 0.30 -0.47 2.33 4.15 -0.99 -1.63 115.11 119.61 1h97 h GLN 7 Ca 0.21 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1h97 h GLN 7 Cb 0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1h97 h GLN 7 CO -0.03 0.20 0.11 -0.44 -1.93 0.00 0.00 178.83 176.74 1h97 h ASP 8 N 0.31 0.71 0.06 -0.69 3.32 -0.55 0.29 116.42 119.87 1h97 h ASP 8 Ca 0.19 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1h97 h ASP 8 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1h97 h ASP 8 CO -0.20 0.76 -0.34 0.16 -1.72 0.00 0.00 179.24 177.90 1h97 h ILE 9 N 0.63 1.29 -0.41 0.35 -0.00 -0.81 0.13 117.51 118.69 1h97 h ILE 9 Ca 0.15 -1.42 -0.14 0.00 -0.00 0.00 0.00 64.86 63.45 1h97 h ILE 9 Cb 0.33 1.52 -0.01 0.00 -0.00 0.00 0.00 36.82 38.66 1h97 h ILE 9 CO 0.00 0.44 -0.28 0.25 -0.00 0.00 0.00 178.15 178.56 1h97 h LEU 10 N 0.34 0.96 -0.63 0.16 5.85 -1.02 -0.46 115.31 120.51 1h97 h LEU 10 Ca 0.04 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1h97 h LEU 10 Cb 0.77 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1h97 h LEU 10 CO 0.06 1.18 0.37 -0.07 -0.34 0.00 0.00 178.44 179.65 1h97 h LEU 11 N 0.74 0.76 -0.62 2.25 3.38 -0.79 0.66 115.31 121.70 1h97 h LEU 11 Ca 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1h97 h LEU 11 Cb 0.86 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1h97 h LEU 11 CO 0.08 0.60 0.23 0.11 0.09 0.00 0.00 178.44 179.55 1h97 h LYS 12 N 0.85 0.94 -0.20 1.13 1.57 -0.40 0.14 116.57 120.59 1h97 h LYS 12 Ca 0.22 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1h97 h LYS 12 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1h97 h LYS 12 CO -0.04 0.81 -0.64 0.93 -0.57 0.00 0.00 179.45 179.94 1h97 h GLU 13 N 0.87 0.72 0.00 3.15 5.08 -0.90 -3.11 114.58 120.39 1h97 h GLU 13 Ca 0.20 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1h97 h GLU 13 Cb 0.23 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1h97 h GLU 13 CO -0.01 1.13 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.53 1h97 h LEU 14 N 0.53 0.00 -0.90 1.33 3.38 -0.86 -3.38 115.31 115.41 1h97 h LEU 14 Ca -0.01 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.21 1h97 h LEU 14 Cb 1.23 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 1h97 h LEU 14 CO 0.13 0.52 0.22 1.23 0.09 0.00 0.00 178.44 180.63 1h97 h GLY 15 N 2.99 1.38 1.84 0.83 0.00 -0.64 0.26 103.07 109.72 1h97 h GLY 15 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1h97 h GLY 15 CO 0.07 -0.41 0.00 -1.05 0.00 0.00 0.00 176.54 175.15 1h97 n PRO 16 N -5.27 0.10 0.00 4.80 -0.02 -1.26 -1.35 135.00 132.00 1h97 n PRO 16 Ca 0.22 0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1h97 n PRO 16 Cb 0.72 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 1h97 n PRO 16 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1h97 n HIS 17 N -1.42 0.00 -2.05 6.00 8.25 0.88 -4.57 115.22 122.32 1h97 n HIS 17 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 1h97 n HIS 17 Cb 0.18 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.29 1h97 n HIS 17 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1h97 n VAL 18 N -1.45 0.46 0.65 1.59 0.24 -0.45 -3.40 118.33 115.96 1h97 n VAL 18 Ca 0.05 -1.01 0.12 0.00 -2.04 0.00 0.00 64.34 61.45 1h97 n VAL 18 Cb 0.34 0.53 0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1h97 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1h97 n ASP 19 N -0.09 0.63 -4.17 -1.34 5.75 -0.88 -4.74 116.55 111.71 1h97 n ASP 19 Ca 0.06 -0.14 -0.10 0.00 -0.01 0.00 0.00 54.79 54.60 1h97 n ASP 19 Cb 0.87 0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 41.39 1h97 n ASP 19 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1h97 s THR 20 N -3.15 0.32 0.23 2.12 -4.23 -1.26 -5.04 115.64 104.63 1h97 s THR 20 Ca 0.06 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1h97 s THR 20 Cb 0.15 -1.95 0.21 0.00 1.34 0.00 0.00 72.50 72.25 1h97 s THR 20 CO 0.76 -0.59 1.89 -0.65 -0.54 0.00 0.00 174.62 175.49 1h97 h PRO 21 N 2.88 1.19 -0.46 3.99 0.11 -1.99 -0.44 132.00 137.26 1h97 h PRO 21 Ca -0.35 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1h97 h PRO 21 Cb 1.19 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1h97 h PRO 21 CO 0.62 0.81 0.20 0.00 -0.21 0.00 0.00 178.00 179.42 1h97 h ALA 22 N 1.31 0.60 -0.29 -0.75 0.00 -1.98 -1.42 119.26 116.73 1h97 h ALA 22 Ca 0.32 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1h97 h ALA 22 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1h97 h ALA 22 CO -0.06 0.19 -0.27 0.45 0.00 0.00 0.00 179.25 179.55 1h97 h HIS 23 N 0.61 0.67 -0.73 0.00 3.86 -1.72 -0.19 115.15 117.63 1h97 h HIS 23 Ca 0.16 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1h97 h HIS 23 Cb 0.16 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1h97 h HIS 23 CO -0.00 0.80 0.46 0.82 0.86 0.00 0.00 177.93 180.87 1h97 h ILE 24 N 0.51 1.20 -0.40 2.45 2.04 -0.83 -0.19 117.51 122.29 1h97 h ILE 24 Ca 0.07 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1h97 h ILE 24 Cb 0.73 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1h97 h ILE 24 CO 0.06 0.20 0.13 0.58 0.00 0.00 0.00 178.15 179.12 1h97 h VAL 25 N 1.00 1.21 -0.95 1.67 2.07 -0.93 -1.69 116.25 118.63 1h97 h VAL 25 Ca 0.27 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1h97 h VAL 25 Cb -0.07 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1h97 h VAL 25 CO -0.05 0.25 0.58 -0.33 0.02 0.00 0.00 177.57 178.04 1h97 h GLU 26 N 0.51 1.29 -0.25 1.57 5.08 -0.60 0.13 114.58 122.30 1h97 h GLU 26 Ca 0.13 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1h97 h GLU 26 Cb 0.25 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1h97 h GLU 26 CO -0.00 0.89 0.10 1.15 -1.00 0.00 0.00 179.01 180.15 1h97 h THR 27 N 1.31 1.17 -0.40 1.13 2.02 -0.79 -2.02 112.91 115.34 1h97 h THR 27 Ca 0.34 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1h97 h THR 27 Cb -0.07 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1h97 h THR 27 CO -0.07 0.17 -0.14 1.23 0.37 0.00 0.00 175.52 177.09 1h97 h GLY 28 N 0.26 0.78 0.91 2.16 0.00 -0.65 -2.87 103.07 103.67 1h97 h GLY 28 Ca 0.08 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.84 1h97 h GLY 28 CO -0.01 0.55 0.42 1.41 0.00 0.00 0.00 176.54 178.91 1h97 h LEU 29 N 0.65 0.71 -1.28 3.11 3.38 -0.45 -1.60 115.31 119.84 1h97 h LEU 29 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1h97 h LEU 29 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1h97 h LEU 29 CO 0.04 0.50 0.05 1.23 0.09 0.00 0.00 178.44 180.35 1h97 h GLY 30 N 0.84 0.58 0.94 0.83 0.00 -1.23 0.18 103.07 105.21 1h97 h GLY 30 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 1h97 h GLY 30 CO -0.09 0.30 -0.08 0.00 0.00 0.00 0.00 176.54 176.67 1h97 h ALA 31 N 1.53 0.49 -0.39 3.60 0.00 -1.16 -1.94 119.26 121.38 1h97 h ALA 31 Ca 0.12 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1h97 h ALA 31 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h97 h ALA 31 CO 0.00 0.33 -0.23 1.88 0.00 0.00 0.00 179.25 181.23 1h97 h TYR 32 N 0.47 0.91 -0.80 0.00 0.05 -0.96 -0.81 116.97 115.83 1h97 h TYR 32 Ca 0.09 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.71 1h97 h TYR 32 Cb 0.59 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 1h97 h TYR 32 CO 0.05 0.95 0.49 1.25 -1.05 0.00 0.00 178.16 179.85 1h97 h HIS 33 N 0.69 0.91 -0.44 4.88 2.76 -0.46 0.93 115.15 124.42 1h97 h HIS 33 Ca 0.09 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 1h97 h HIS 33 Cb 0.75 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1h97 h HIS 33 CO 0.04 0.47 -0.18 0.00 -1.30 0.00 0.00 177.93 176.97 1h97 h ALA 34 N 1.37 0.61 -0.07 5.26 0.00 -1.07 -0.90 119.26 124.46 1h97 h ALA 34 Ca 0.34 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h97 h ALA 34 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h97 h ALA 34 CO -0.16 0.56 0.03 1.25 0.00 0.00 0.00 179.25 180.93 1h97 h LEU 35 N 0.72 0.09 -0.55 0.00 5.85 -0.69 -2.72 115.31 118.02 1h97 h LEU 35 Ca 0.10 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1h97 h LEU 35 Cb 0.74 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1h97 h LEU 35 CO 0.06 0.23 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.96 1h97 h PHE 36 N -0.06 0.00 -0.31 1.25 0.04 -0.82 -0.40 116.94 116.64 1h97 h PHE 36 Ca 0.02 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1h97 h PHE 36 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1h97 h PHE 36 CO -0.02 0.17 -0.04 1.15 -0.60 0.00 0.00 178.31 178.97 1h97 h THR 37 N 0.00 1.27 -0.27 -1.55 2.02 -1.11 -2.13 112.91 111.14 1h97 h THR 37 Ca -0.00 -1.05 -0.18 0.00 0.77 0.00 0.00 66.41 65.95 1h97 h THR 37 Cb 0.94 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1h97 h THR 37 CO 0.02 0.34 -0.54 0.00 0.37 0.00 0.00 175.52 175.71 1h97 h ALA 38 N 0.81 0.54 -2.29 6.16 0.00 -1.37 -3.40 119.26 119.71 1h97 h ALA 38 Ca 0.08 -0.51 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 1h97 h ALA 38 Cb 0.51 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 17.83 1h97 h ALA 38 CO 0.02 0.68 -0.96 0.72 0.00 0.00 0.00 179.25 179.71 1h97 n HIS 39 N -4.00 -0.08 0.30 0.00 8.25 -0.17 -4.98 115.22 114.55 1h97 n HIS 39 Ca -0.04 -3.54 0.18 0.00 -0.26 0.00 0.00 57.72 54.07 1h97 n HIS 39 Cb 0.62 -0.08 0.92 0.00 1.12 0.00 0.00 29.99 32.57 1h97 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1h97 h PRO 40 N 4.96 0.00 0.00 -0.41 0.13 -1.62 -1.11 132.00 133.95 1h97 h PRO 40 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1h97 h PRO 40 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1h97 h PRO 40 CO 0.46 0.03 0.00 1.04 -0.23 0.00 0.00 178.00 179.31 1h97 n GLN 41 N -3.28 0.12 0.17 0.86 3.00 -1.26 -1.99 117.38 114.99 1h97 n GLN 41 Ca -0.02 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1h97 n GLN 41 Cb 0.18 -1.76 0.41 0.00 0.00 0.00 0.00 30.24 29.07 1h97 n GLN 41 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1h97 h TYR 42 N 0.00 0.00 -0.69 1.08 -1.99 -1.57 -3.26 116.97 110.54 1h97 h TYR 42 Ca 0.00 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1h97 h TYR 42 Cb 0.23 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.93 1h97 h TYR 42 CO 0.00 0.00 0.45 0.82 -0.00 0.00 0.00 178.16 179.43 1h97 h ILE 43 N 0.00 1.14 0.00 -2.88 2.04 -1.59 -1.69 117.51 114.53 1h97 h ILE 43 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1h97 h ILE 43 Cb 0.69 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1h97 h ILE 43 CO 0.00 0.16 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 1h97 n SER 44 N -4.63 0.00 0.22 1.72 3.41 -1.23 -2.17 113.62 110.93 1h97 n SER 44 Ca 0.07 0.31 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 1h97 n SER 44 Cb 0.05 -0.41 0.51 0.00 -0.26 0.00 0.00 64.21 64.11 1h97 n SER 44 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1h97 h HIS 45 N 0.00 0.00 -3.66 7.33 3.86 -1.50 -3.44 115.15 117.74 1h97 h HIS 45 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1h97 h HIS 45 Cb 0.21 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.52 1h97 h HIS 45 CO 0.00 0.00 -0.52 -0.06 0.86 0.00 0.00 177.93 178.21 1h97 s PHE 46 N -3.44 3.26 0.24 2.45 0.40 -0.92 -4.62 117.98 115.34 1h97 s PHE 46 Ca 0.04 0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1h97 s PHE 46 Cb 0.09 -2.29 0.29 0.00 0.51 0.00 0.00 43.02 41.62 1h97 s PHE 46 CO 0.54 -0.03 1.88 0.66 0.70 0.00 0.00 175.22 178.98 1h97 h SER 47 N 7.77 0.96 -0.02 1.36 4.64 -1.87 -1.09 113.55 125.31 1h97 h SER 47 Ca -0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1h97 h SER 47 Cb 1.18 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1h97 h SER 47 CO 0.62 0.66 0.00 0.54 -0.87 0.00 0.00 176.83 177.78 1h97 n ARG 48 N -4.52 1.07 0.00 4.77 1.74 -1.26 -3.54 116.66 114.92 1h97 n ARG 48 Ca 0.12 -0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.14 1h97 n ARG 48 Cb 0.10 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 1h97 n ARG 48 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1h97 n LEU 49 N -0.68 1.42 -4.61 0.55 4.77 -0.42 -4.46 117.00 113.57 1h97 n LEU 49 Ca 0.14 -0.83 -0.48 0.00 -0.03 0.00 0.00 56.01 54.81 1h97 n LEU 49 Cb 0.09 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1h97 n LEU 49 CO 0.11 0.28 0.90 1.21 -1.33 0.00 0.00 177.39 178.55 1h97 n GLU 50 N -0.01 1.50 0.00 3.23 4.07 -1.18 -1.73 120.64 126.51 1h97 n GLU 50 Ca 0.05 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 1h97 n GLU 50 Cb 0.23 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 1h97 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1h97 n GLY 51 N 2.37 1.91 3.89 8.31 0.00 -1.26 -5.05 105.19 115.36 1h97 n GLY 51 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1h97 n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h97 s HIS 52 N -2.38 3.46 0.25 1.61 3.76 -0.71 -5.08 115.29 116.21 1h97 s HIS 52 Ca 0.00 0.73 0.01 0.00 -0.15 0.00 0.00 55.06 55.65 1h97 s HIS 52 Cb 0.00 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.54 1h97 s HIS 52 CO 0.00 0.17 0.11 0.25 -0.85 0.00 0.00 174.74 174.42 1h97 n THR 53 N -0.77 0.00 0.30 1.30 -2.24 -1.26 -4.83 114.28 106.78 1h97 n THR 53 Ca -0.01 -1.07 0.17 0.00 -2.27 0.00 0.00 64.05 60.87 1h97 n THR 53 Cb 0.53 -0.07 0.79 0.00 -2.10 0.00 0.00 70.33 69.49 1h97 n THR 53 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1h97 h ILE 54 N 0.81 0.00 0.00 2.28 6.09 -1.92 0.15 117.51 124.92 1h97 h ILE 54 Ca -0.18 -0.25 -0.08 0.00 -1.37 0.00 0.00 64.86 62.98 1h97 h ILE 54 Cb 0.60 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 1h97 h ILE 54 CO 0.29 0.00 -0.38 -0.33 -3.07 0.00 0.00 178.15 174.66 1h97 h GLU 55 N 0.00 0.00 0.00 2.19 4.39 -2.01 -3.38 114.58 115.77 1h97 h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1h97 h GLU 55 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1h97 h GLU 55 CO 0.00 0.38 0.00 0.27 -1.16 0.00 0.00 179.01 178.50 1h97 n ASN 56 N -3.41 0.32 0.04 1.42 2.04 -0.86 -4.82 115.26 110.00 1h97 n ASN 56 Ca 0.00 -0.81 0.03 0.00 -0.44 0.00 0.00 54.58 53.36 1h97 n ASN 56 Cb 0.55 0.11 0.39 0.00 -2.53 0.00 0.00 39.78 38.30 1h97 n ASN 56 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1h97 h VAL 57 N 0.43 1.14 0.00 3.53 3.04 -1.16 -2.78 116.25 120.46 1h97 h VAL 57 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1h97 h VAL 57 Cb 0.22 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1h97 h VAL 57 CO 0.00 0.18 0.00 0.23 -1.01 0.00 0.00 177.57 176.97 1h97 n MET 58 N -4.38 0.20 -0.18 4.17 2.81 -1.26 -2.23 117.12 116.25 1h97 n MET 58 Ca 0.01 0.27 0.12 0.00 -1.81 0.00 0.00 57.70 56.30 1h97 n MET 58 Cb 0.16 -1.79 0.22 0.00 -0.71 0.00 0.00 33.22 31.11 1h97 n MET 58 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1h97 n GLN 59 N -2.15 2.48 -1.95 0.03 3.00 -1.05 -4.96 117.38 112.78 1h97 n GLN 59 Ca 0.04 -2.24 -0.30 0.00 -0.01 0.00 0.00 57.00 54.49 1h97 n GLN 59 Cb 0.34 -1.51 0.02 0.00 0.00 0.00 0.00 30.24 29.08 1h97 n GLN 59 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1h97 s SER 60 N -1.51 6.09 0.11 1.08 1.04 -0.95 -4.98 113.70 114.59 1h97 s SER 60 Ca 0.38 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 58.00 1h97 s SER 60 Cb 0.23 -2.35 -0.10 0.00 0.10 0.00 0.00 66.02 63.90 1h97 s SER 60 CO 0.32 -0.93 1.39 -0.33 0.98 0.00 0.00 173.24 174.67 1h97 h GLU 61 N -0.33 0.81 -0.86 4.02 4.39 -1.93 -3.32 114.58 117.37 1h97 h GLU 61 Ca -0.44 -0.50 0.05 0.00 0.34 0.00 0.00 59.36 58.80 1h97 h GLU 61 Cb 1.20 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 1h97 h GLU 61 CO 0.62 1.14 0.54 0.78 -1.16 0.00 0.00 179.01 180.93 1h97 h GLY 62 N 0.57 1.28 1.85 -3.84 0.00 -1.93 -2.24 103.07 98.76 1h97 h GLY 62 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1h97 h GLY 62 CO 0.11 0.29 0.10 1.19 0.00 0.00 0.00 176.54 178.23 1h97 h ILE 63 N 1.01 1.05 -0.32 2.60 6.09 -1.82 -1.28 117.51 124.82 1h97 h ILE 63 Ca 0.37 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 63.73 1h97 h ILE 63 Cb 0.12 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 38.22 1h97 h ILE 63 CO -0.16 0.05 0.06 0.11 -3.07 0.00 0.00 178.15 175.14 1h97 h LYS 64 N 0.21 0.47 0.36 2.19 1.57 -1.54 0.11 116.57 119.94 1h97 h LYS 64 Ca 0.06 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1h97 h LYS 64 Cb -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1h97 h LYS 64 CO -0.01 0.46 -0.17 1.25 -0.57 0.00 0.00 179.45 180.40 1h97 h HIS 65 N 0.47 -0.44 -0.08 -1.35 2.76 -1.26 -2.92 115.15 112.33 1h97 h HIS 65 Ca 0.11 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1h97 h HIS 65 Cb 0.21 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1h97 h HIS 65 CO 0.01 -0.14 -0.30 1.88 -1.30 0.00 0.00 177.93 178.07 1h97 h TYR 66 N -0.72 0.16 -0.81 5.26 0.05 -1.36 -2.13 116.97 117.42 1h97 h TYR 66 Ca -0.05 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.76 1h97 h TYR 66 Cb 0.50 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 1h97 h TYR 66 CO 0.00 0.44 0.49 0.00 -1.05 0.00 0.00 178.16 178.05 1h97 h ALA 67 N 1.56 1.12 -0.06 3.88 0.00 -0.73 0.55 119.26 125.58 1h97 h ALA 67 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h97 h ALA 67 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h97 h ALA 67 CO 0.04 0.21 -0.01 -0.09 0.00 0.00 0.00 179.25 179.40 1h97 h ARG 68 N 0.89 0.10 -0.57 0.00 2.43 -1.22 -2.73 114.38 113.28 1h97 h ARG 68 Ca 0.36 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1h97 h ARG 68 Cb 0.20 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1h97 h ARG 68 CO -0.18 0.43 0.10 1.79 -1.51 0.00 0.00 179.97 180.59 1h97 h THR 69 N -0.23 1.24 -0.05 0.20 1.35 -0.92 -0.99 112.91 113.52 1h97 h THR 69 Ca 0.01 -0.92 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 1h97 h THR 69 Cb 0.39 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1h97 h THR 69 CO 0.00 0.34 0.01 0.25 -0.25 0.00 0.00 175.52 175.87 1h97 h LEU 70 N 0.86 0.09 -0.68 3.87 5.85 -0.98 -2.15 115.31 122.16 1h97 h LEU 70 Ca 0.18 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1h97 h LEU 70 Cb 0.37 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1h97 h LEU 70 CO 0.01 0.34 -0.08 0.71 -0.34 0.00 0.00 178.44 179.07 1h97 h THR 71 N -0.17 1.26 -0.08 1.05 1.35 -1.25 -1.76 112.91 113.32 1h97 h THR 71 Ca 0.02 -1.20 -0.10 0.00 -0.55 0.00 0.00 66.41 64.57 1h97 h THR 71 Cb 0.29 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1h97 h THR 71 CO 0.00 0.42 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.96 1h97 h GLU 72 N 0.85 0.16 -0.25 4.72 5.08 -1.20 -0.28 114.58 123.65 1h97 h GLU 72 Ca 0.14 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1h97 h GLU 72 Cb 0.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1h97 h GLU 72 CO 0.04 0.55 -0.15 0.00 -1.00 0.00 0.00 179.01 178.44 1h97 h ALA 73 N 1.45 0.36 -0.25 3.43 0.00 -1.02 -0.00 119.26 123.21 1h97 h ALA 73 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1h97 h ALA 73 Cb 0.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h97 h ALA 73 CO 0.06 0.25 0.12 0.82 0.00 0.00 0.00 179.25 180.50 1h97 h ILE 74 N 0.27 0.98 -0.87 0.00 2.04 -0.94 -2.14 117.51 116.85 1h97 h ILE 74 Ca 0.05 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1h97 h ILE 74 Cb 0.68 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1h97 h ILE 74 CO 0.04 0.05 0.51 0.58 0.00 0.00 0.00 178.15 179.33 1h97 h VAL 75 N 0.25 1.24 -0.68 1.67 2.07 -0.92 -1.08 116.25 118.80 1h97 h VAL 75 Ca 0.11 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1h97 h VAL 75 Cb 0.04 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1h97 h VAL 75 CO -0.08 0.26 0.44 -0.74 0.02 0.00 0.00 177.57 177.46 1h97 h HIS 76 N 1.19 0.83 -0.63 1.57 -0.00 -0.71 0.75 115.15 118.16 1h97 h HIS 76 Ca 0.31 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.66 1h97 h HIS 76 Cb -0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.07 1h97 h HIS 76 CO 0.00 0.50 0.22 0.52 -0.00 0.00 0.00 177.93 179.17 1h97 h MET 77 N 0.89 0.96 -0.66 5.26 2.07 -1.09 -2.29 114.93 120.07 1h97 h MET 77 Ca 0.26 -0.19 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 1h97 h MET 77 Cb -0.05 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.51 1h97 h MET 77 CO -0.08 0.83 0.19 1.25 1.07 0.00 0.00 176.91 180.17 1h97 h LEU 78 N 0.89 0.97 -1.71 1.22 5.85 -0.52 -0.94 115.31 121.07 1h97 h LEU 78 Ca 0.20 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1h97 h LEU 78 Cb 0.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1h97 h LEU 78 CO -0.01 0.94 -0.18 0.11 -0.34 0.00 0.00 178.44 178.96 1h97 h LYS 79 N 0.96 0.00 -0.24 1.25 1.57 -0.70 -2.88 116.57 116.53 1h97 h LYS 79 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1h97 h LYS 79 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1h97 h LYS 79 CO -0.00 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 1h97 n GLU 80 N -3.89 2.34 0.28 3.15 -0.58 -0.88 -4.57 120.64 116.49 1h97 n GLU 80 Ca -0.02 -2.00 0.14 0.00 -0.42 0.00 0.00 57.16 54.86 1h97 n GLU 80 Cb 0.27 -1.49 0.81 0.00 -0.57 0.00 0.00 31.44 30.47 1h97 n GLU 80 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1h97 h ILE 81 N 4.24 0.51 -0.00 -3.67 6.09 -0.95 -0.79 117.51 122.94 1h97 h ILE 81 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1h97 h ILE 81 Cb 0.92 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.44 1h97 h ILE 81 CO 0.00 0.07 -0.02 -1.54 -3.07 0.00 0.00 178.15 173.59 1h97 n SER 82 N -3.67 0.36 -4.12 2.19 3.41 -1.26 -4.43 113.62 106.10 1h97 n SER 82 Ca -0.02 -0.92 -0.37 0.00 -0.26 0.00 0.00 58.87 57.29 1h97 n SER 82 Cb 0.18 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 1h97 n SER 82 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1h97 s ASN 83 N -2.15 5.32 0.17 4.04 3.84 -0.30 -4.98 114.94 120.88 1h97 s ASN 83 Ca 0.41 -2.38 -0.15 0.00 0.21 0.00 0.00 52.86 50.95 1h97 s ASN 83 Cb 0.21 -1.86 0.10 0.00 -0.55 0.00 0.00 41.25 39.15 1h97 s ASN 83 CO 0.39 -0.49 1.75 0.44 -2.79 0.00 0.00 177.10 176.41 1h97 h ASP 84 N 7.66 0.16 -0.55 -4.21 3.32 -1.80 -0.21 116.42 120.79 1h97 h ASP 84 Ca -0.09 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1h97 h ASP 84 Cb 1.01 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1h97 h ASP 84 CO 0.72 0.12 0.10 0.00 -1.72 0.00 0.00 179.24 178.46 1h97 h ALA 85 N 1.27 0.72 -0.14 3.45 0.00 -1.93 -1.72 119.26 120.91 1h97 h ALA 85 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1h97 h ALA 85 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h97 h ALA 85 CO -0.19 0.46 0.02 1.49 0.00 0.00 0.00 179.25 181.02 1h97 h GLU 86 N 0.79 0.23 -0.21 0.00 4.57 -1.78 -2.94 114.58 115.24 1h97 h GLU 86 Ca 0.17 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1h97 h GLU 86 Cb 0.40 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1h97 h GLU 86 CO 0.01 0.43 -0.14 -0.24 -1.18 0.00 0.00 179.01 177.89 1h97 h VAL 87 N -0.00 1.21 -0.56 0.32 3.04 -1.02 -0.60 116.25 118.64 1h97 h VAL 87 Ca 0.04 -0.93 0.03 0.00 -1.01 0.00 0.00 66.70 64.83 1h97 h VAL 87 Cb 0.32 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.77 1h97 h VAL 87 CO 0.00 0.30 0.33 0.50 -1.01 0.00 0.00 177.57 177.69 1h97 h LYS 88 N 0.32 0.64 -0.41 4.17 3.64 -1.30 -0.39 116.57 123.25 1h97 h LYS 88 Ca 0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1h97 h LYS 88 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1h97 h LYS 88 CO 0.03 0.42 0.13 0.87 -2.27 0.00 0.00 179.45 178.63 1h97 h LYS 89 N 0.66 0.63 -0.43 1.90 1.57 -1.14 -1.66 116.57 118.09 1h97 h LYS 89 Ca 0.23 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1h97 h LYS 89 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1h97 h LYS 89 CO -0.10 0.62 0.08 0.82 -0.57 0.00 0.00 179.45 180.29 1h97 h ILE 90 N 0.51 1.24 -0.28 1.86 2.04 -0.93 -1.46 117.51 120.50 1h97 h ILE 90 Ca 0.13 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1h97 h ILE 90 Cb 0.25 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1h97 h ILE 90 CO -0.01 0.30 -0.18 0.00 0.00 0.00 0.00 178.15 178.27 1h97 h ALA 91 N 0.94 1.18 -0.69 1.87 0.00 -1.06 -0.86 119.26 120.64 1h97 h ALA 91 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1h97 h ALA 91 Cb 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1h97 h ALA 91 CO 0.01 0.52 0.34 0.00 0.00 0.00 0.00 179.25 180.12 1h97 h ALA 92 N 1.36 0.89 -0.15 0.00 0.00 -1.08 0.53 119.26 120.81 1h97 h ALA 92 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h97 h ALA 92 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1h97 h ALA 92 CO 0.04 0.44 0.09 0.37 0.00 0.00 0.00 179.25 180.19 1h97 h GLN 93 N 0.96 0.18 -0.13 0.00 4.15 -0.57 -0.20 115.11 119.51 1h97 h GLN 93 Ca 0.24 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 1h97 h GLN 93 Cb 0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1h97 h GLN 93 CO -0.03 0.12 -0.46 1.88 -1.93 0.00 0.00 178.83 178.41 1h97 h TYR 94 N 0.19 0.38 -0.80 3.99 0.05 -0.95 -2.27 116.97 117.55 1h97 h TYR 94 Ca 0.06 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1h97 h TYR 94 Cb -0.01 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 1h97 h TYR 94 CO -0.08 0.72 0.34 0.78 -1.05 0.00 0.00 178.16 178.87 1h97 h GLY 95 N 1.24 1.28 2.00 3.88 0.00 -0.56 -2.45 103.07 108.46 1h97 h GLY 95 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1h97 h GLY 95 CO 0.08 0.65 -0.07 0.50 0.00 0.00 0.00 176.54 177.69 1h97 h LYS 96 N 1.17 0.00 0.00 4.80 1.57 -0.60 -0.10 116.57 123.40 1h97 h LYS 96 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1h97 h LYS 96 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1h97 h LYS 96 CO -0.02 0.07 0.00 -0.25 -0.57 0.00 0.00 179.45 178.68 1h97 n ASP 97 N -3.33 0.00 -0.00 0.86 8.00 -0.90 -3.08 116.55 118.11 1h97 n ASP 97 Ca -0.01 0.16 0.04 0.00 0.71 0.00 0.00 54.79 55.69 1h97 n ASP 97 Cb 0.25 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1h97 n ASP 97 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1h97 n HIS 98 N -1.32 0.00 -0.35 1.24 8.25 -0.05 -4.72 115.22 118.27 1h97 n HIS 98 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 1h97 n HIS 98 Cb 0.11 -0.11 0.22 0.00 1.12 0.00 0.00 29.99 31.33 1h97 n HIS 98 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1h97 h THR 99 N 0.00 1.01 -0.37 1.59 2.02 -1.55 -2.24 112.91 113.38 1h97 h THR 99 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1h97 h THR 99 Cb 0.27 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1h97 h THR 99 CO 0.00 0.19 0.00 -1.20 0.37 0.00 0.00 175.52 174.88 1h97 n SER 100 N -4.54 3.29 -4.62 4.18 7.64 -1.26 -4.98 113.62 113.32 1h97 n SER 100 Ca 0.16 -1.94 -0.24 0.00 1.01 0.00 0.00 58.87 57.86 1h97 n SER 100 Cb 0.26 -0.24 0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1h97 n SER 100 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1h97 s ARG 101 N -1.33 1.55 0.00 1.43 1.81 -0.84 -4.99 118.95 116.58 1h97 s ARG 101 Ca 0.35 -1.11 0.25 0.00 -1.72 0.00 0.00 55.73 53.50 1h97 s ARG 101 Cb 0.20 -2.30 1.41 0.00 -0.45 0.00 0.00 34.95 33.81 1h97 s ARG 101 CO 0.28 -1.56 1.87 1.63 -0.68 0.00 0.00 175.30 176.84 1h97 n LYS 102 N -2.92 0.59 -3.04 3.54 5.02 -1.26 -4.83 118.16 115.26 1h97 n LYS 102 Ca 0.16 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.10 1h97 n LYS 102 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 1h97 n LYS 102 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h97 s VAL 103 N -2.28 4.48 0.44 -0.18 0.11 -1.26 -5.05 120.40 116.65 1h97 s VAL 103 Ca 0.31 1.47 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1h97 s VAL 103 Cb 0.17 -3.96 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1h97 s VAL 103 CO 0.34 0.31 0.66 0.42 -3.33 0.00 0.00 175.10 173.50 1h97 s THR 104 N -1.40 4.16 0.24 5.04 -4.23 -1.26 -4.94 115.64 113.24 1h97 s THR 104 Ca 0.41 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 1h97 s THR 104 Cb -0.19 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1h97 s THR 104 CO 0.23 -0.38 1.91 0.50 -0.54 0.00 0.00 174.62 176.33 1h97 h LYS 105 N 0.43 1.20 -0.37 3.99 3.64 -1.94 0.44 116.57 123.94 1h97 h LYS 105 Ca -0.47 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1h97 h LYS 105 Cb 1.25 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1h97 h LYS 105 CO 0.58 0.79 0.20 -0.44 -2.27 0.00 0.00 179.45 178.31 1h97 h ASP 106 N 1.23 0.47 -0.42 4.20 3.32 -1.99 -0.29 116.42 122.96 1h97 h ASP 106 Ca 0.34 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1h97 h ASP 106 Cb -0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1h97 h ASP 106 CO -0.08 0.44 0.00 -0.33 -1.72 0.00 0.00 179.24 177.55 1h97 h GLU 107 N 0.47 0.81 0.02 3.56 5.08 -1.84 -0.13 114.58 122.56 1h97 h GLU 107 Ca 0.13 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1h97 h GLU 107 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1h97 h GLU 107 CO -0.02 0.82 -0.01 0.35 -1.00 0.00 0.00 179.01 179.15 1h97 h PHE 108 N 0.76 -0.03 0.00 4.33 3.57 -0.54 -2.37 116.94 122.66 1h97 h PHE 108 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1h97 h PHE 108 Cb 0.46 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1h97 h PHE 108 CO 0.02 0.03 -0.16 0.52 -2.23 0.00 0.00 178.31 176.50 1h97 h MET 109 N -0.08 0.00 0.00 1.11 2.86 -0.85 -0.86 114.93 117.11 1h97 h MET 109 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1h97 h MET 109 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1h97 h MET 109 CO 0.00 0.16 0.00 0.66 1.06 0.00 0.00 176.91 178.79 1h97 h SER 110 N 0.00 0.00 1.35 1.22 4.64 -0.47 -1.21 113.55 119.08 1h97 h SER 110 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1h97 h SER 110 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1h97 h SER 110 CO 0.02 0.00 -0.07 1.23 -0.87 0.00 0.00 176.83 177.14 1h97 h GLY 111 N 1.08 0.00 0.99 -0.77 0.00 -1.11 -3.35 103.07 99.91 1h97 h GLY 111 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1h97 h GLY 111 CO 0.00 0.00 -0.21 -2.09 0.00 0.00 0.00 176.54 174.24 1h97 h GLU 112 N 0.00 -0.57 -0.26 4.80 4.81 -1.35 0.15 114.58 122.16 1h97 h GLU 112 Ca -0.00 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1h97 h GLU 112 Cb 0.77 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1h97 h GLU 112 CO 0.01 -0.37 -0.09 -1.00 -0.73 0.00 0.00 179.01 176.83 1h97 h PRO 113 N -0.61 0.43 0.04 0.92 0.13 -1.77 -0.04 132.00 131.10 1h97 h PRO 113 Ca -0.06 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1h97 h PRO 113 Cb 0.46 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1h97 h PRO 113 CO 0.10 0.53 -0.02 0.82 -0.23 0.00 0.00 178.00 179.20 1h97 h ILE 114 N 0.40 1.18 -0.10 -3.56 2.04 -1.67 -1.82 117.51 113.98 1h97 h ILE 114 Ca 0.08 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1h97 h ILE 114 Cb 0.41 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1h97 h ILE 114 CO 0.02 0.18 -0.39 -0.26 0.00 0.00 0.00 178.15 177.70 1h97 h PHE 115 N -0.38 0.26 -0.33 1.37 0.04 -0.52 -1.31 116.94 116.07 1h97 h PHE 115 Ca -0.01 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1h97 h PHE 115 Cb 0.34 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1h97 h PHE 115 CO 0.03 0.59 0.10 1.15 -0.60 0.00 0.00 178.31 179.58 1h97 h THR 116 N 0.19 1.21 -0.66 -1.55 2.02 -0.96 -0.27 112.91 112.88 1h97 h THR 116 Ca 0.02 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1h97 h THR 116 Cb 0.78 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1h97 h THR 116 CO 0.06 0.23 0.12 0.50 0.37 0.00 0.00 175.52 176.80 1h97 h LYS 117 N 0.38 1.09 0.07 6.66 3.64 -1.10 0.66 116.57 127.97 1h97 h LYS 117 Ca 0.11 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1h97 h LYS 117 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1h97 h LYS 117 CO -0.00 0.99 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.22 1h97 h TYR 118 N 1.01 -0.08 -0.08 1.91 3.20 -1.05 -1.43 116.97 120.45 1h97 h TYR 118 Ca 0.20 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1h97 h TYR 118 Cb 0.42 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1h97 h TYR 118 CO 0.03 0.06 -0.49 0.74 -1.64 0.00 0.00 178.16 176.86 1h97 h PHE 119 N -0.21 0.26 -0.53 -3.82 0.04 -0.89 -1.58 116.94 110.21 1h97 h PHE 119 Ca -0.01 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1h97 h PHE 119 Cb 0.18 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1h97 h PHE 119 CO -0.03 0.67 0.33 1.96 -0.60 0.00 0.00 178.31 180.64 1h97 h GLN 120 N 0.17 0.71 0.00 1.51 4.20 -0.77 -2.07 115.11 118.86 1h97 h GLN 120 Ca 0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1h97 h GLN 120 Cb 0.93 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1h97 h GLN 120 CO 0.08 0.50 -0.25 -0.91 -0.67 0.00 0.00 178.83 177.57 1h97 h ASN 121 N 0.71 0.00 -0.20 1.46 2.35 -0.91 -3.04 115.58 115.95 1h97 h ASN 121 Ca 0.19 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.73 1h97 h ASN 121 Cb -0.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1h97 h ASN 121 CO -0.04 0.25 -0.68 0.25 -1.65 0.00 0.00 177.43 175.56 1h97 h LEU 122 N 0.00 0.95-10.39 1.61 5.85 -0.81 -3.46 115.31 109.07 1h97 h LEU 122 Ca -0.00 -0.57 -0.51 0.00 0.84 0.00 0.00 57.88 57.64 1h97 h LEU 122 Cb 0.49 -0.28 0.07 0.00 0.37 0.00 0.00 40.66 41.31 1h97 h LEU 122 CO 0.03 1.37 0.42 0.68 -0.34 0.00 0.00 178.44 180.60 1h97 s VAL 123 N -3.92 4.35 -0.68 1.05 -7.23 -0.82 -5.00 120.40 108.15 1h97 s VAL 123 Ca -0.10 0.76 0.26 0.00 -1.81 0.00 0.00 61.98 61.09 1h97 s VAL 123 Cb 0.09 -3.74 0.28 0.00 0.56 0.00 0.00 36.38 33.57 1h97 s VAL 123 CO 0.90 -1.00 1.72 0.07 -0.31 0.00 0.00 175.10 176.48 1h97 h LYS 124 N -0.43 0.00 -3.11 4.82 -0.00 -1.87 -3.47 116.57 112.51 1h97 h LYS 124 Ca -0.44 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.23 1h97 h LYS 124 Cb 1.21 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 33.36 1h97 h LYS 124 CO 0.62 0.00 0.16 0.16 -0.00 0.00 0.00 179.45 180.39 1h97 s ASP 125 N -4.76 -0.31 0.26 7.07 1.47 -1.26 -5.05 116.67 114.09 1h97 s ASP 125 Ca 0.10 -0.48 -0.05 0.00 1.18 0.00 0.00 52.55 53.30 1h97 s ASP 125 Cb 0.11 0.66 0.31 0.00 -0.34 0.00 0.00 42.92 43.67 1h97 s ASP 125 CO 0.62 -1.20 1.93 0.00 0.68 0.00 0.00 175.17 177.20 1h97 h ALA 126 N 2.06 1.31 -0.40 2.11 0.00 -1.97 -0.43 119.26 121.92 1h97 h ALA 126 Ca -0.25 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1h97 h ALA 126 Cb 1.26 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1h97 h ALA 126 CO 0.30 0.63 0.22 1.49 0.00 0.00 0.00 179.25 181.89 1h97 h GLU 127 N 1.27 0.44 -0.75 0.00 4.81 -2.00 -1.53 114.58 116.82 1h97 h GLU 127 Ca 0.34 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1h97 h GLU 127 Cb -0.12 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 1h97 h GLU 127 CO -0.07 0.29 0.49 0.78 -0.73 0.00 0.00 179.01 179.77 1h97 h GLY 128 N 0.45 1.06 1.01 1.92 0.00 -1.78 -1.83 103.07 103.90 1h97 h GLY 128 Ca 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1h97 h GLY 128 CO -0.09 0.36 0.36 0.50 0.00 0.00 0.00 176.54 177.67 1h97 h LYS 129 N 0.99 1.00 -0.42 4.80 1.57 -0.50 0.12 116.57 124.13 1h97 h LYS 129 Ca 0.28 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 1h97 h LYS 129 Cb -0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1h97 h LYS 129 CO -0.07 0.78 -0.27 0.00 -0.57 0.00 0.00 179.45 179.31 1h97 h ALA 130 N 1.17 0.72 -0.41 3.86 0.00 -1.13 -2.75 119.26 120.73 1h97 h ALA 130 Ca 0.24 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1h97 h ALA 130 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h97 h ALA 130 CO -0.03 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.67 1h97 h ALA 131 N 0.92 0.85 -0.28 0.00 0.00 -0.87 -1.63 119.26 118.26 1h97 h ALA 131 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1h97 h ALA 131 Cb 0.83 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1h97 h ALA 131 CO 0.07 0.64 0.11 0.28 0.00 0.00 0.00 179.25 180.35 1h97 h VAL 132 N 0.71 0.95 -0.34 0.00 2.07 -0.85 0.21 116.25 119.00 1h97 h VAL 132 Ca 0.10 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1h97 h VAL 132 Cb 0.73 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1h97 h VAL 132 CO 0.06 0.04 0.15 -0.08 0.02 0.00 0.00 177.57 177.76 1h97 h GLU 133 N 0.24 0.50 -0.59 1.57 4.81 -1.25 -1.11 114.58 118.76 1h97 h GLU 133 Ca 0.12 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1h97 h GLU 133 Cb 0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1h97 h GLU 133 CO -0.11 0.48 0.39 -0.22 -0.73 0.00 0.00 179.01 178.82 1h97 h LYS 134 N 0.41 0.77 -0.09 1.92 3.64 -1.10 -0.67 116.57 121.44 1h97 h LYS 134 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1h97 h LYS 134 Cb 0.16 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1h97 h LYS 134 CO -0.01 0.51 0.05 0.35 -2.27 0.00 0.00 179.45 178.08 1h97 h PHE 135 N 0.79 0.13 -0.19 1.91 3.57 -0.77 -1.73 116.94 120.66 1h97 h PHE 135 Ca 0.22 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 1h97 h PHE 135 Cb -0.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1h97 h PHE 135 CO -0.03 0.19 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.61 1h97 h LEU 136 N 0.04 0.65 -1.89 0.59 3.38 -1.11 -1.03 115.31 115.93 1h97 h LEU 136 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1h97 h LEU 136 Cb 0.11 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h97 h LEU 136 CO -0.00 1.07 -0.03 0.11 0.09 0.00 0.00 178.44 179.68 1h97 h LYS 137 N 0.44 0.00 0.00 1.13 1.57 -1.06 -0.89 116.57 117.76 1h97 h LYS 137 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1h97 h LYS 137 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1h97 h LYS 137 CO 0.11 0.03 -0.30 1.25 -0.57 0.00 0.00 179.45 179.96 1h97 h HIS 138 N 0.00 0.00 0.00 -1.35 2.76 -0.41 -3.40 115.15 112.76 1h97 h HIS 138 Ca -0.00 -0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 1h97 h HIS 138 Cb 0.38 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 1h97 h HIS 138 CO 0.00 1.12 -1.07 -0.39 -1.30 0.00 0.00 177.93 176.29 1h97 h VAL 139 N -1.00 1.49 -0.21 5.26 -1.51 -1.10 -3.35 116.25 115.83 1h97 h VAL 139 Ca -0.08 -3.18 0.06 0.00 -1.23 0.00 0.00 66.70 62.26 1h97 h VAL 139 Cb 1.08 2.73 -0.06 0.00 -2.13 0.00 0.00 31.29 32.90 1h97 h VAL 139 CO -0.05 0.85 -0.18 -0.26 -1.23 0.00 0.00 177.57 176.69 1h97 h PHE 140 N 0.00 -0.47 0.00 5.19 -1.00 -1.36 -1.70 116.94 117.59 1h97 h PHE 140 Ca -0.05 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1h97 h PHE 140 Cb 1.77 0.24 -0.01 0.00 3.61 0.00 0.00 35.95 41.56 1h97 h PHE 140 CO 0.00 -0.26 -0.31 -1.35 -1.61 0.00 0.00 178.31 174.78 1h97 h PRO 141 N -0.19 0.00 -0.19 1.51 0.11 -1.77 0.15 132.00 131.62 1h97 h PRO 141 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1h97 h PRO 141 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1h97 h PRO 141 CO -0.33 0.31 0.01 0.52 -0.21 0.00 0.00 178.00 178.30 1h97 h MET 142 N 0.00 0.33 -0.40 1.05 2.86 -1.54 -1.40 114.93 115.83 1h97 h MET 142 Ca -0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1h97 h MET 142 Cb 0.62 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1h97 h MET 142 CO 0.04 0.53 0.16 0.52 1.06 0.00 0.00 176.91 179.22 1h97 h MET 143 N 0.09 0.59 0.00 1.72 2.86 -1.04 -3.20 114.93 115.95 1h97 h MET 143 Ca 0.05 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1h97 h MET 143 Cb 0.38 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1h97 h MET 143 CO 0.01 0.55 -0.17 0.00 1.06 0.00 0.00 176.91 178.36 1h97 h ALA 144 N 1.01 1.49 -0.01 6.32 0.00 -0.83 -1.80 119.26 125.43 1h97 h ALA 144 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h97 h ALA 144 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h97 h ALA 144 CO -0.01 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.46 1h97 h ALA 145 N 1.83 1.55 -0.01 0.00 0.00 -1.24 -0.63 119.26 120.76 1h97 h ALA 145 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h97 h ALA 145 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h97 h ALA 145 CO 0.02 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1h97 n GLU 146 N -3.85 1.17 0.00 0.00 -0.58 -0.68 -5.12 120.64 111.59 1h97 n GLU 146 Ca -0.03 -0.25 0.10 0.00 -0.42 0.00 0.00 57.16 56.56 1h97 n GLU 146 Cb 0.10 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1h97 n GLU 146 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76