#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1us6 h GLU 13 N 0.00 1.05 -3.29 5.55 5.08 -1.91 -3.39 114.58 117.68 1us6 h GLU 13 Ca 0.00 -0.35 -0.63 0.00 -1.00 0.00 0.00 59.36 57.38 1us6 h GLU 13 Cb 0.00 -0.09 -0.41 0.00 0.50 0.00 0.00 28.75 28.75 1us6 h GLU 13 CO 0.00 1.04 -0.65 -0.51 -1.00 0.00 0.00 179.01 177.90 1us6 s LEU 14 N -9.32 4.01 0.35 1.33 1.43 -1.26 -5.01 118.68 110.22 1us6 s LEU 14 Ca -0.12 -2.98 0.07 0.00 -1.03 0.00 0.00 54.13 50.07 1us6 s LEU 14 Cb 0.13 -1.52 0.76 0.00 0.03 0.00 0.00 46.19 45.59 1us6 s LEU 14 CO 0.86 -0.23 1.91 0.03 0.23 0.00 0.00 176.35 179.14 1us6 h ARG 15 N 6.49 0.73 -0.13 1.70 3.08 -1.99 -2.34 114.38 121.92 1us6 h ARG 15 Ca -0.06 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1us6 h ARG 15 Cb 0.89 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1us6 h ARG 15 CO 0.65 0.48 0.26 -1.35 -1.07 0.00 0.00 179.97 178.94 1us6 h PRO 16 N 0.75 0.00 0.00 0.04 0.11 -1.98 -1.85 132.00 129.07 1us6 h PRO 16 Ca 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 1us6 h PRO 16 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1us6 h PRO 16 CO -0.16 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.49 1us6 h LEU 17 N 0.00 0.00 0.14 2.35 4.07 -1.85 -2.65 115.31 117.37 1us6 h LEU 17 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1us6 h LEU 17 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1us6 h LEU 17 CO -0.00 0.08 -0.07 0.40 -1.08 0.00 0.00 178.44 177.77 1us6 h ILE 18 N 0.00 1.01 -0.73 1.22 2.04 -1.55 -2.04 117.51 117.47 1us6 h ILE 18 Ca -0.00 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1us6 h ILE 18 Cb 0.42 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1us6 h ILE 18 CO 0.01 0.22 0.29 1.23 0.00 0.00 0.00 178.15 179.90 1us6 h GLY 19 N -0.68 1.15 1.11 5.37 0.00 -1.72 -2.44 103.07 105.87 1us6 h GLY 19 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1us6 h GLY 19 CO 0.03 0.58 0.53 -2.00 0.00 0.00 0.00 176.54 175.68 1us6 h LEU 20 N 1.05 1.04 -1.35 3.11 5.85 -1.37 -2.69 115.31 120.96 1us6 h LEU 20 Ca 0.25 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1us6 h LEU 20 Cb 0.19 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1us6 h LEU 20 CO -0.02 0.80 -0.05 0.35 -0.34 0.00 0.00 178.44 179.18 1us6 n THR 21 N -4.37 0.00 -1.69 1.05 -2.24 -0.78 -4.92 114.28 101.33 1us6 n THR 21 Ca 0.10 -0.35 -0.44 0.00 -2.27 0.00 0.00 64.05 61.09 1us6 n THR 21 Cb 0.06 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1us6 n THR 21 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1us6 n ARG 22 N 0.61 2.39 -0.16 -0.78 0.63 -0.94 -1.45 116.66 116.96 1us6 n ARG 22 Ca 0.16 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 1us6 n ARG 22 Cb 0.47 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1us6 n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1us6 n GLY 23 N 3.20 1.65 3.75 5.14 0.00 -1.26 -5.02 105.19 112.65 1us6 n GLY 23 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1us6 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1us6 s LEU 24 N 0.00 4.51 0.57 0.99 2.96 -0.53 -4.95 118.68 122.23 1us6 s LEU 24 Ca 0.00 2.28 -0.20 0.00 -0.22 0.00 0.00 54.13 55.98 1us6 s LEU 24 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1us6 s LEU 24 CO 0.00 -0.24 1.24 -2.65 -1.32 0.00 0.00 176.35 173.38 1us6 n PRO 25 N 1.63 1.37 0.00 0.98 -0.02 -1.26 -4.79 135.00 132.90 1us6 n PRO 25 Ca 0.01 0.51 0.04 0.00 -2.02 0.00 0.00 63.50 62.04 1us6 n PRO 25 Cb 0.45 -2.45 0.42 0.00 -0.02 0.00 0.00 33.50 31.90 1us6 n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1us6 h PRO 26 N 1.02 0.54 -0.60 0.52 0.11 -1.99 -0.69 132.00 130.91 1us6 h PRO 26 Ca -0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1us6 h PRO 26 Cb 1.33 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1us6 h PRO 26 CO 0.55 0.36 0.08 1.79 -0.21 0.00 0.00 178.00 180.57 1us6 h THR 27 N 0.55 1.26 -0.22 -1.15 1.35 -1.98 0.28 112.91 113.00 1us6 h THR 27 Ca 0.15 -1.02 -0.17 0.00 -0.55 0.00 0.00 66.41 64.81 1us6 h THR 27 Cb -0.05 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1us6 h THR 27 CO -0.03 0.38 -0.55 0.44 -0.25 0.00 0.00 175.52 175.50 1us6 h ASP 28 N 0.91 0.75 -0.42 5.36 3.45 -1.54 0.62 116.42 125.55 1us6 h ASP 28 Ca 0.18 -0.40 0.04 0.00 0.43 0.00 0.00 57.03 57.27 1us6 h ASP 28 Cb 0.45 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 1us6 h ASP 28 CO 0.01 1.15 0.20 0.25 -1.57 0.00 0.00 179.24 179.28 1us6 h LEU 29 N 0.52 0.28 -0.78 1.55 5.85 -0.81 -0.66 115.31 121.25 1us6 h LEU 29 Ca 0.01 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1us6 h LEU 29 Cb 1.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1us6 h LEU 29 CO 0.11 0.20 -0.55 -0.08 -0.34 0.00 0.00 178.44 177.78 1us6 h GLU 30 N 0.40 0.17 -0.48 1.25 4.81 -0.58 -1.62 114.58 118.52 1us6 h GLU 30 Ca 0.18 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1us6 h GLU 30 Cb 0.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1us6 h GLU 30 CO -0.14 0.68 0.11 1.15 -0.73 0.00 0.00 179.01 180.07 1us6 h THR 31 N 0.13 1.24 -0.57 0.32 2.02 -0.65 -2.96 112.91 112.44 1us6 h THR 31 Ca -0.00 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1us6 h THR 31 Cb 1.02 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1us6 h THR 31 CO 0.08 0.31 0.33 0.40 0.37 0.00 0.00 175.52 177.01 1us6 h ILE 32 N 0.66 1.17 0.03 3.11 2.04 -0.89 -1.62 117.51 122.02 1us6 h ILE 32 Ca 0.15 -0.39 -0.27 0.00 1.00 0.00 0.00 64.86 65.35 1us6 h ILE 32 Cb 0.35 0.38 0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1us6 h ILE 32 CO 0.00 0.18 -1.08 0.74 0.00 0.00 0.00 178.15 177.99 1us6 h THR 33 N 0.78 1.29 -0.81 -0.27 2.02 -1.35 0.76 112.91 115.34 1us6 h THR 33 Ca 0.20 -2.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.03 1us6 h THR 33 Cb -0.01 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 1us6 h THR 33 CO -0.04 0.71 0.38 0.40 0.37 0.00 0.00 175.52 177.35 1us6 h ILE 34 N 0.35 1.25 -0.10 3.11 2.04 -1.34 -0.95 117.51 121.87 1us6 h ILE 34 Ca -0.14 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1us6 h ILE 34 Cb 1.74 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1us6 h ILE 34 CO 0.21 0.31 -0.32 0.44 0.00 0.00 0.00 178.15 178.79 1us6 h ASP 35 N 1.14 0.19 0.37 1.72 3.45 -1.05 -2.39 116.42 119.86 1us6 h ASP 35 Ca 0.28 -0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 1us6 h ASP 35 Cb 0.13 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1us6 h ASP 35 CO -0.03 0.50 -0.47 0.00 -1.57 0.00 0.00 179.24 177.67 1us6 h ALA 36 N 1.51 1.11 -0.46 3.45 0.00 -0.07 -0.76 119.26 124.04 1us6 h ALA 36 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1us6 h ALA 36 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1us6 h ALA 36 CO 0.05 0.62 0.02 0.82 0.00 0.00 0.00 179.25 180.75 1us6 h ILE 37 N 0.10 1.26 -0.39 0.00 2.04 -0.72 -0.72 117.51 119.08 1us6 h ILE 37 Ca 0.00 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1us6 h ILE 37 Cb 0.88 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1us6 h ILE 37 CO 0.07 0.35 0.25 0.03 0.00 0.00 0.00 178.15 178.85 1us6 h ARG 38 N 0.65 0.49 -0.38 2.37 3.08 -1.13 -1.04 114.38 118.42 1us6 h ARG 38 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1us6 h ARG 38 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1us6 h ARG 38 CO 0.02 0.33 0.25 1.15 -1.07 0.00 0.00 179.97 180.64 1us6 h THR 39 N 0.51 1.10 -0.52 2.04 2.02 -1.07 -1.40 112.91 115.59 1us6 h THR 39 Ca 0.15 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1us6 h THR 39 Cb -0.03 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1us6 h THR 39 CO -0.05 0.10 0.29 -0.74 0.37 0.00 0.00 175.52 175.49 1us6 h HIS 40 N 0.51 0.53 -0.83 3.16 -0.00 -0.67 0.20 115.15 118.05 1us6 h HIS 40 Ca 0.14 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1us6 h HIS 40 Cb -0.05 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.16 1us6 h HIS 40 CO -0.05 0.28 0.49 0.00 -0.00 0.00 0.00 177.93 178.65 1us6 h ARG 41 N 0.56 1.12 -0.60 5.26 3.08 -0.93 -0.35 114.38 122.53 1us6 h ARG 41 Ca 0.22 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1us6 h ARG 41 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1us6 h ARG 41 CO -0.13 0.79 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.46 1us6 h ARG 42 N 1.14 1.07 -0.08 0.04 2.43 -0.54 -1.80 114.38 116.64 1us6 h ARG 42 Ca 0.30 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1us6 h ARG 42 Cb -0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1us6 h ARG 42 CO -0.05 1.04 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.78 1us6 h LEU 43 N 0.97 0.31 -0.27 3.80 3.38 0.27 -1.59 115.31 122.18 1us6 h LEU 43 Ca 0.17 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1us6 h LEU 43 Cb 0.57 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1us6 h LEU 43 CO 0.03 0.83 -0.05 0.58 0.09 0.00 0.00 178.44 179.92 1us6 h VAL 44 N 0.20 1.28 -0.93 1.22 2.07 -1.02 -1.49 116.25 117.58 1us6 h VAL 44 Ca -0.01 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.57 1us6 h VAL 44 Cb 1.10 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 1us6 h VAL 44 CO 0.09 0.33 0.56 -0.08 0.02 0.00 0.00 177.57 178.50 1us6 h GLU 45 N 0.26 0.89 -0.17 1.57 4.81 -0.92 0.08 114.58 121.10 1us6 h GLU 45 Ca 0.07 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1us6 h GLU 45 Cb 0.51 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1us6 h GLU 45 CO 0.02 0.59 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.44 1us6 h LYS 46 N 0.91 0.45 -0.64 1.92 1.63 -1.12 0.07 116.57 119.79 1us6 h LYS 46 Ca 0.45 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1us6 h LYS 46 Cb 0.42 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1us6 h LYS 46 CO -0.25 0.85 0.42 0.00 -3.45 0.00 0.00 179.45 177.01 1us6 h ALA 47 N 0.60 0.83 -0.48 5.00 0.00 -0.86 -0.94 119.26 123.39 1us6 h ALA 47 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1us6 h ALA 47 Cb 0.80 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1us6 h ALA 47 CO 0.05 0.21 0.22 -0.44 0.00 0.00 0.00 179.25 179.29 1us6 h ASP 48 N 0.84 0.64 -0.26 0.00 3.32 -0.73 0.02 116.42 120.25 1us6 h ASP 48 Ca 0.25 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1us6 h ASP 48 Cb -0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1us6 h ASP 48 CO -0.07 0.61 0.17 -0.08 -1.72 0.00 0.00 179.24 178.15 1us6 h GLU 49 N 0.64 0.35 -0.73 3.56 4.81 -0.62 -1.83 114.58 120.76 1us6 h GLU 49 Ca 0.16 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1us6 h GLU 49 Cb 0.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1us6 h GLU 49 CO -0.02 0.24 0.20 -0.07 -0.73 0.00 0.00 179.01 178.63 1us6 h LEU 50 N 0.36 1.09 -0.26 1.64 3.38 -0.81 -2.65 115.31 118.05 1us6 h LEU 50 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1us6 h LEU 50 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1us6 h LEU 50 CO -0.02 1.03 0.13 0.15 0.09 0.00 0.00 178.44 179.82 1us6 h PHE 51 N 1.10 0.37 -0.49 1.13 3.57 -0.78 -2.71 116.94 119.12 1us6 h PHE 51 Ca 0.23 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1us6 h PHE 51 Cb 0.35 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1us6 h PHE 51 CO 0.03 0.33 0.33 1.96 -2.23 0.00 0.00 178.31 178.73 1us6 h GLN 52 N 0.30 0.33 0.00 1.11 1.08 -1.22 -0.33 115.11 116.38 1us6 h GLN 52 Ca 0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1us6 h GLN 52 Cb 0.09 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1us6 h GLN 52 CO -0.01 0.22 0.00 0.00 -0.95 0.00 0.00 178.83 178.08 1us6 n ALA 53 N -2.53 2.31 -1.77 3.87 0.00 -1.01 -4.87 120.51 116.51 1us6 n ALA 53 Ca 0.07 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 1us6 n ALA 53 Cb 0.32 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 1us6 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1us6 s LEU 54 N -3.09 3.92 0.61 0.00 1.43 -0.14 -4.99 118.68 116.42 1us6 s LEU 54 Ca 0.14 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.32 1us6 s LEU 54 Cb 0.18 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1us6 s LEU 54 CO 0.53 -1.04 1.20 -2.65 0.23 0.00 0.00 176.35 174.62 1us6 n PRO 55 N -0.79 1.15 -0.26 1.29 -0.02 -1.26 -4.75 135.00 130.36 1us6 n PRO 55 Ca 0.09 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 62.18 1us6 n PRO 55 Cb 0.49 -2.42 0.46 0.00 -0.02 0.00 0.00 33.50 32.01 1us6 n PRO 55 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1us6 h GLU 56 N 0.68 0.49 -0.92 -0.52 4.57 -1.95 -1.38 114.58 115.55 1us6 h GLU 56 Ca -0.50 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 57.80 1us6 h GLU 56 Cb 1.34 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.75 1us6 h GLU 56 CO 0.53 0.32 0.59 1.79 -1.18 0.00 0.00 179.01 181.06 1us6 h THR 57 N 0.50 0.82 0.00 0.32 1.35 -1.95 -0.83 112.91 113.11 1us6 h THR 57 Ca 0.48 -0.24 -0.20 0.00 -0.55 0.00 0.00 66.41 65.90 1us6 h THR 57 Cb 1.06 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 1us6 h THR 57 CO -0.21 0.13 -1.08 1.88 -0.25 0.00 0.00 175.52 175.99 1us6 h TYR 58 N 0.71 0.00 0.00 4.73 -1.99 -1.44 0.75 116.97 119.73 1us6 h TYR 58 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1us6 h TYR 58 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 1us6 h TYR 58 CO -0.00 0.82 0.00 0.87 -0.00 0.00 0.00 178.16 179.85 1us6 h LYS 59 N 0.00 0.00 -0.02 4.88 1.57 -0.84 -2.89 116.57 119.27 1us6 h LYS 59 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1us6 h LYS 59 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 1us6 h LYS 59 CO 0.09 0.00 -0.04 0.25 -0.57 0.00 0.00 179.45 179.18 1us6 n THR 60 N -2.41 0.00 -1.18 -0.16 -2.24 -0.89 -4.96 114.28 102.43 1us6 n THR 60 Ca 0.02 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1us6 n THR 60 Cb 0.27 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 1us6 n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1us6 n GLY 61 N 0.96 0.86 0.10 3.38 0.00 -1.09 -4.91 105.19 104.49 1us6 n GLY 61 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 1us6 n GLY 61 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1us6 h GLN 62 N 0.09 0.00 -5.58 1.61 4.20 -1.27 -3.46 115.11 110.70 1us6 h GLN 62 Ca -0.13 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.13 1us6 h GLN 62 Cb 0.46 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.07 1us6 h GLN 62 CO 0.19 0.80 -0.76 0.00 -0.67 0.00 0.00 178.83 178.40 1us6 s ALA 63 N -3.16 1.77 0.18 3.87 0.00 0.05 -4.98 121.76 119.50 1us6 s ALA 63 Ca -0.00 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 1us6 s ALA 63 Cb 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1us6 s ALA 63 CO 0.79 0.12 0.52 0.00 0.00 0.00 0.00 175.76 177.18 1us6 n GLY 65 N -0.33 -0.20 0.00 0.00 0.00 -1.26 -5.11 105.19 98.29 1us6 n GLY 65 Ca -0.11 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1us6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1us6 n GLY 66 N -0.13 0.83 0.28 -0.02 0.00 -1.26 -4.38 105.19 100.50 1us6 n GLY 66 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 1us6 n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1us6 h PRO 67 N 0.00 0.88 -0.43 1.61 0.11 -2.00 -0.49 132.00 131.69 1us6 h PRO 67 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1us6 h PRO 67 Cb 0.00 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1us6 h PRO 67 CO 0.00 0.58 0.13 0.37 -0.21 0.00 0.00 178.00 178.87 1us6 h GLN 68 N 0.91 0.67 -0.75 1.05 4.15 -2.00 -0.75 115.11 118.38 1us6 h GLN 68 Ca 0.27 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 1us6 h GLN 68 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1us6 h GLN 68 CO -0.08 0.66 0.26 1.25 -1.93 0.00 0.00 178.83 178.98 1us6 h HIS 69 N 0.55 1.19 -0.41 3.99 2.76 -1.66 -2.27 115.15 119.30 1us6 h HIS 69 Ca 0.14 -0.11 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1us6 h HIS 69 Cb 0.27 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 28.84 1us6 h HIS 69 CO 0.01 0.92 0.12 0.82 -1.30 0.00 0.00 177.93 178.50 1us6 h ILE 70 N 1.11 0.83 -0.55 6.26 2.04 -0.75 -0.45 117.51 125.99 1us6 h ILE 70 Ca 0.25 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1us6 h ILE 70 Cb 0.28 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1us6 h ILE 70 CO -0.01 0.05 0.27 0.03 0.00 0.00 0.00 178.15 178.48 1us6 h ARG 71 N 0.26 0.77 -0.19 2.37 3.08 -0.60 0.65 114.38 120.72 1us6 h ARG 71 Ca 0.20 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1us6 h ARG 71 Cb 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1us6 h ARG 71 CO -0.23 0.59 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.25 1us6 h TYR 72 N 0.77 0.47 -0.73 3.04 3.20 -0.86 -1.95 116.97 120.91 1us6 h TYR 72 Ca 0.19 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 62.00 1us6 h TYR 72 Cb 0.07 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1us6 h TYR 72 CO 0.01 0.70 0.43 0.82 -1.64 0.00 0.00 178.16 178.48 1us6 h ILE 73 N 0.09 1.01 -0.75 1.81 2.04 -0.56 -0.86 117.51 120.29 1us6 h ILE 73 Ca 0.04 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1us6 h ILE 73 Cb 0.58 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1us6 h ILE 73 CO 0.03 0.14 0.32 -0.33 0.00 0.00 0.00 178.15 178.31 1us6 h GLU 74 N 0.79 1.11 -0.86 2.37 5.08 -0.82 0.25 114.58 122.50 1us6 h GLU 74 Ca 0.32 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1us6 h GLU 74 Cb 0.16 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1us6 h GLU 74 CO -0.17 0.90 0.48 0.00 -1.00 0.00 0.00 179.01 179.22 1us6 h ALA 75 N 1.16 1.10 -0.44 3.43 0.00 -0.96 -1.64 119.26 121.91 1us6 h ALA 75 Ca 0.25 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1us6 h ALA 75 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1us6 h ALA 75 CO -0.02 0.61 -0.21 0.77 0.00 0.00 0.00 179.25 180.40 1us6 h SER 76 N 1.20 0.89 -0.54 0.00 0.02 -0.40 -1.75 113.55 112.97 1us6 h SER 76 Ca 0.30 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1us6 h SER 76 Cb 0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1us6 h SER 76 CO -0.05 1.07 0.33 0.40 -1.14 0.00 0.00 176.83 177.44 1us6 h ILE 77 N 0.76 1.16 -0.68 3.27 2.04 -0.20 -0.31 117.51 123.56 1us6 h ILE 77 Ca 0.11 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1us6 h ILE 77 Cb 0.75 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1us6 h ILE 77 CO 0.06 0.17 0.37 -0.08 0.00 0.00 0.00 178.15 178.67 1us6 h GLU 78 N 0.73 0.66 -0.41 2.37 4.81 -1.07 -0.19 114.58 121.47 1us6 h GLU 78 Ca 0.20 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1us6 h GLU 78 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1us6 h GLU 78 CO -0.04 0.44 -0.10 1.98 -0.73 0.00 0.00 179.01 180.56 1us6 h MET 79 N 0.68 0.79 -0.44 1.92 4.05 -0.85 -1.31 114.93 119.77 1us6 h MET 79 Ca 0.31 -0.30 -0.14 0.00 -0.28 0.00 0.00 59.70 59.28 1us6 h MET 79 Cb 0.21 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1us6 h MET 79 CO -0.19 0.92 -0.29 0.45 0.23 0.00 0.00 176.91 178.03 1us6 h HIS 80 N 0.61 1.14 -0.45 1.39 3.86 -0.57 -1.78 115.15 119.35 1us6 h HIS 80 Ca 0.10 -0.30 -0.07 0.00 -1.16 0.00 0.00 60.37 58.94 1us6 h HIS 80 Cb 0.63 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1us6 h HIS 80 CO 0.05 1.13 0.02 0.00 0.86 0.00 0.00 177.93 179.99 1us6 h ALA 81 N 0.84 0.60 -0.61 2.45 0.00 -0.91 -2.67 119.26 118.96 1us6 h ALA 81 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1us6 h ALA 81 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1us6 h ALA 81 CO 0.08 0.38 0.21 0.37 0.00 0.00 0.00 179.25 180.29 1us6 h GLN 82 N 0.63 0.92 -0.27 0.00 -0.00 -1.17 -2.13 115.11 113.08 1us6 h GLN 82 Ca 0.13 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1us6 h GLN 82 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 1us6 h GLN 82 CO 0.02 0.78 -0.06 1.98 0.00 0.00 0.00 178.83 181.54 1us6 h MET 83 N 0.89 0.43 -0.25 1.69 4.05 -1.07 -0.22 114.93 120.45 1us6 h MET 83 Ca 0.20 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 1us6 h MET 83 Cb 0.23 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1us6 h MET 83 CO -0.01 0.51 -0.32 0.66 0.23 0.00 0.00 176.91 177.98 1us6 h SER 84 N 0.41 0.55 -0.24 1.39 4.64 -1.06 -0.33 113.55 118.91 1us6 h SER 84 Ca 0.08 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1us6 h SER 84 Cb 0.37 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1us6 h SER 84 CO 0.02 0.84 0.11 0.00 -0.87 0.00 0.00 176.83 176.92 1us6 h ALA 85 N 1.20 0.31 -0.56 5.18 0.00 -1.16 -2.64 119.26 121.60 1us6 h ALA 85 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1us6 h ALA 85 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1us6 h ALA 85 CO 0.06 -0.11 0.32 1.25 0.00 0.00 0.00 179.25 180.77 1us6 h LEU 86 N 0.25 0.68 -1.34 0.00 5.85 -0.76 -0.63 115.31 119.36 1us6 h LEU 86 Ca 0.08 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1us6 h LEU 86 Cb 0.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1us6 h LEU 86 CO -0.01 0.56 -0.15 0.78 -0.34 0.00 0.00 178.44 179.28 1us6 h ASN 87 N 0.75 0.24 -0.51 1.25 -0.26 -1.03 -1.76 115.58 114.26 1us6 h ASN 87 Ca 0.20 -0.05 -0.13 0.00 -0.56 0.00 0.00 56.30 55.76 1us6 h ASN 87 Cb 0.02 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1us6 h ASN 87 CO -0.03 0.42 -0.17 0.74 -1.06 0.00 0.00 177.43 177.32 1us6 h THR 88 N 0.24 1.27 -0.80 2.81 2.02 -0.97 -2.69 112.91 114.79 1us6 h THR 88 Ca 0.05 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1us6 h THR 88 Cb 0.41 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1us6 h THR 88 CO 0.03 0.47 0.38 -0.07 0.37 0.00 0.00 175.52 176.69 1us6 h LEU 89 N 0.88 1.04 -0.54 2.58 3.38 -0.43 -1.35 115.31 120.88 1us6 h LEU 89 Ca 0.12 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1us6 h LEU 89 Cb 0.75 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1us6 h LEU 89 CO 0.06 0.87 0.34 1.88 0.09 0.00 0.00 178.44 181.69 1us6 h TYR 90 N 1.13 0.65 -0.45 1.13 0.05 -1.12 -0.04 116.97 118.33 1us6 h TYR 90 Ca 0.27 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 59.01 1us6 h TYR 90 Cb 0.11 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1us6 h TYR 90 CO 0.01 0.39 0.01 0.77 -1.05 0.00 0.00 178.16 178.29 1us6 h SER 91 N 0.69 0.69 -0.11 3.88 0.02 -1.10 -0.08 113.55 117.54 1us6 h SER 91 Ca 0.20 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 1us6 h SER 91 Cb -0.04 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.32 1us6 h SER 91 CO -0.06 0.75 -0.53 0.40 -1.14 0.00 0.00 176.83 176.25 1us6 h ILE 92 N 0.68 1.35 -0.13 3.27 2.04 -0.94 -3.26 117.51 120.53 1us6 h ILE 92 Ca 0.14 -1.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 1us6 h ILE 92 Cb 0.41 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1us6 h ILE 92 CO 0.02 0.56 -0.45 0.25 0.00 0.00 0.00 178.15 178.52 1us6 h LEU 93 N 0.18 0.34 0.00 1.44 5.85 -0.94 -3.47 115.31 118.71 1us6 h LEU 93 Ca -0.03 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1us6 h LEU 93 Cb 1.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1us6 h LEU 93 CO 0.11 0.75 0.00 0.61 -0.34 0.00 0.00 178.44 179.57 1us6 n GLY 94 N -0.04 0.60 3.58 3.75 0.00 -0.07 -5.04 105.19 107.97 1us6 n GLY 94 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1us6 n GLY 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1us6 s PHE 95 N -2.11 -0.24 -0.22 1.61 -0.12 -1.07 -5.00 117.98 110.82 1us6 s PHE 95 Ca 0.00 0.09 -0.16 0.00 -0.05 0.00 0.00 56.93 56.82 1us6 s PHE 95 Cb 0.00 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1us6 s PHE 95 CO 0.00 -0.51 0.40 0.42 -0.05 0.00 0.00 175.22 175.49 1us6 s ILE 96 N -2.96 5.18 0.65 -4.49 1.01 -1.26 -4.67 121.20 114.65 1us6 s ILE 96 Ca 0.08 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 1us6 s ILE 96 Cb -0.01 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1us6 s ILE 96 CO -0.06 0.21 1.06 -2.16 0.00 0.00 0.00 174.94 174.00 1us6 s PRO 97 N 1.60 3.08 -0.03 2.79 0.04 -1.26 -4.98 135.00 136.23 1us6 s PRO 97 Ca 0.18 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1us6 s PRO 97 Cb -0.15 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1us6 s PRO 97 CO 0.08 -1.00 1.16 0.21 0.04 0.00 0.00 177.00 177.50 1us6 s LYS 98 N -4.51 4.39 -0.09 4.56 2.20 -1.26 -5.02 119.74 120.02 1us6 s LYS 98 Ca 0.61 1.64 0.01 0.00 -0.36 0.00 0.00 55.97 57.87 1us6 s LYS 98 Cb -0.15 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1us6 s LYS 98 CO 0.45 -0.36 -0.10 0.08 -0.36 0.00 0.00 175.35 175.06 1us6 s VAL 99 N 1.85 1.11 -0.03 4.02 1.01 -1.26 -5.10 120.40 122.00 1us6 s VAL 99 Ca 0.55 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1us6 s VAL 99 Cb -0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1us6 s VAL 99 CO 0.24 0.37 1.22 -0.69 0.00 0.00 0.00 175.10 176.23 1us6 s VAL 100 N 1.16 4.16 0.29 2.92 1.01 -1.26 -5.04 120.40 123.65 1us6 s VAL 100 Ca -0.05 1.51 0.11 0.00 0.00 0.00 0.00 61.98 63.55 1us6 s VAL 100 Cb -0.14 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1us6 s VAL 100 CO -0.02 0.02 -0.12 0.68 0.00 0.00 0.00 175.10 175.66 1us6 s VAL 101 N 2.03 2.74 0.00 2.92 -7.23 -1.26 -5.16 120.40 114.44 1us6 s VAL 101 Ca 0.57 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1us6 s VAL 101 Cb -0.26 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1us6 s VAL 101 CO 0.24 -0.36 0.00 -3.20 -0.31 0.00 0.00 175.10 171.47