#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfy s LYS 11 N 0.00 2.19 -0.51 1.97 -2.85 -1.26 -4.54 119.74 114.74 1rfy s LYS 11 Ca 0.00 -1.46 -0.29 0.00 -1.00 0.00 0.00 55.97 53.22 1rfy s LYS 11 Cb 0.00 -2.10 0.02 0.00 -2.06 0.00 0.00 37.83 33.69 1rfy s LYS 11 CO 0.00 0.36 1.26 0.08 0.10 0.00 0.00 175.35 177.15 1rfy s VAL 12 N -2.33 4.01 -0.04 1.79 1.01 -1.26 -3.77 120.40 119.80 1rfy s VAL 12 Ca 0.31 0.97 0.21 0.00 0.00 0.00 0.00 61.98 63.46 1rfy s VAL 12 Cb -0.06 -4.54 -0.32 0.00 0.00 0.00 0.00 36.38 31.46 1rfy s VAL 12 CO 0.19 -1.10 0.42 -0.62 0.00 0.00 0.00 175.10 173.99 1rfy n GLU 13 N 8.23 0.64 -3.65 2.72 1.02 -1.26 -4.70 120.64 123.64 1rfy n GLU 13 Ca 0.12 -0.18 -0.28 0.00 -0.02 0.00 0.00 57.16 56.80 1rfy n GLU 13 Cb 0.49 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 1rfy n GLU 13 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1rfy s LEU 14 N -4.51 2.95 0.38 -4.62 2.96 -1.26 -5.01 118.68 109.56 1rfy s LEU 14 Ca -0.08 -3.25 0.16 0.00 -0.22 0.00 0.00 54.13 50.75 1rfy s LEU 14 Cb 0.13 -1.01 1.05 0.00 0.50 0.00 0.00 46.19 46.85 1rfy s LEU 14 CO 0.85 -0.16 1.77 -0.09 -1.32 0.00 0.00 176.35 177.41 1rfy h ARG 15 N 5.81 0.43 0.00 1.98 2.43 -1.97 -1.81 114.38 121.26 1rfy h ARG 15 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rfy h ARG 15 Cb 0.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1rfy h ARG 15 CO 0.52 0.29 0.15 -1.35 -1.51 0.00 0.00 179.97 178.07 1rfy h PRO 16 N 0.45 0.00 0.00 0.20 0.11 -2.01 -1.05 132.00 129.70 1rfy h PRO 16 Ca 0.59 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.66 1rfy h PRO 16 Cb 1.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 1rfy h PRO 16 CO -0.31 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.23 1rfy h LEU 17 N 0.00 0.00 -0.12 2.35 3.38 -1.76 -2.45 115.31 116.71 1rfy h LEU 17 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rfy h LEU 17 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rfy h LEU 17 CO 0.00 0.18 -0.02 0.40 0.09 0.00 0.00 178.44 179.09 1rfy h ILE 18 N 0.00 1.28 -0.75 1.22 2.04 -1.40 -1.72 117.51 118.18 1rfy h ILE 18 Ca -0.00 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1rfy h ILE 18 Cb 0.56 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1rfy h ILE 18 CO 0.02 0.26 0.33 1.23 0.00 0.00 0.00 178.15 179.99 1rfy h GLY 19 N -0.07 1.19 1.24 5.37 0.00 -1.67 -1.16 103.07 107.98 1rfy h GLY 19 Ca 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1rfy h GLY 19 CO 0.01 0.59 0.35 1.41 0.00 0.00 0.00 176.54 178.90 1rfy h LEU 20 N 1.08 0.89 -2.41 3.11 3.38 -1.32 -3.02 115.31 117.01 1rfy h LEU 20 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rfy h LEU 20 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1rfy h LEU 20 CO -0.03 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.60 1rfy n THR 21 N -4.34 0.62 -1.65 0.22 -2.24 -0.66 -4.94 114.28 101.28 1rfy n THR 21 Ca 0.07 -0.80 -0.48 0.00 -2.27 0.00 0.00 64.05 60.56 1rfy n THR 21 Cb 0.12 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1rfy n THR 21 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rfy n ARG 22 N 1.54 1.87 -0.81 -0.78 0.63 -0.46 -1.66 116.66 116.98 1rfy n ARG 22 Ca 0.21 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1rfy n ARG 22 Cb 0.61 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1rfy n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rfy n GLY 23 N 3.25 0.31 3.76 5.14 0.00 -1.26 -4.97 105.19 111.43 1rfy n GLY 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1rfy n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rfy s LEU 24 N 0.00 4.36 0.44 0.99 2.96 -0.66 -4.92 118.68 121.85 1rfy s LEU 24 Ca 0.00 2.90 -0.25 0.00 -0.22 0.00 0.00 54.13 56.56 1rfy s LEU 24 Cb 0.00 -3.65 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 1rfy s LEU 24 CO 0.00 -0.80 1.27 -2.65 -1.32 0.00 0.00 176.35 172.86 1rfy n PRO 25 N 1.31 1.88 -0.24 0.98 -0.02 -1.26 -4.74 135.00 132.91 1rfy n PRO 25 Ca 0.04 0.67 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 1rfy n PRO 25 Cb 0.39 -2.41 0.09 0.00 -0.02 0.00 0.00 33.50 31.55 1rfy n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1rfy h PRO 26 N 1.96 0.01 -0.66 0.52 0.11 -2.00 -0.60 132.00 131.34 1rfy h PRO 26 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rfy h PRO 26 Cb 1.30 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1rfy h PRO 26 CO 0.59 0.01 0.40 1.15 -0.21 0.00 0.00 178.00 179.93 1rfy h THR 27 N 0.01 1.18 -0.33 -1.15 2.02 -1.99 -0.59 112.91 112.06 1rfy h THR 27 Ca 0.35 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1rfy h THR 27 Cb 0.54 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1rfy h THR 27 CO -0.72 0.19 -0.16 0.44 0.37 0.00 0.00 175.52 175.64 1rfy h ASP 28 N 0.90 0.72 -0.26 4.18 3.32 -1.49 -0.71 116.42 123.08 1rfy h ASP 28 Ca 0.24 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1rfy h ASP 28 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1rfy h ASP 28 CO -0.04 0.97 -0.18 0.25 -1.72 0.00 0.00 179.24 178.51 1rfy h LEU 29 N 0.47 0.71 -0.43 1.55 5.85 -1.03 -1.81 115.31 120.62 1rfy h LEU 29 Ca 0.07 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1rfy h LEU 29 Cb 0.70 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1rfy h LEU 29 CO 0.05 0.89 0.23 -0.33 -0.34 0.00 0.00 178.44 178.94 1rfy h GLU 30 N 0.63 0.60 -0.39 1.25 5.08 -0.97 -0.99 114.58 119.79 1rfy h GLU 30 Ca 0.10 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1rfy h GLU 30 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1rfy h GLU 30 CO 0.05 0.49 0.25 1.15 -1.00 0.00 0.00 179.01 179.95 1rfy h THR 31 N 0.55 1.08 -0.58 1.13 2.02 -0.84 0.86 112.91 117.13 1rfy h THR 31 Ca 0.15 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1rfy h THR 31 Cb 0.07 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1rfy h THR 31 CO -0.02 0.09 0.27 0.40 0.37 0.00 0.00 175.52 176.63 1rfy h ILE 32 N 0.51 1.21 -0.49 3.11 2.04 -1.14 -2.01 117.51 120.73 1rfy h ILE 32 Ca 0.15 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1rfy h ILE 32 Cb -0.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1rfy h ILE 32 CO -0.05 0.24 -0.18 0.74 0.00 0.00 0.00 178.15 178.91 1rfy h THR 33 N 0.78 1.27 -0.53 -0.27 2.02 -0.86 -1.35 112.91 113.97 1rfy h THR 33 Ca 0.20 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1rfy h THR 33 Cb 0.14 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1rfy h THR 33 CO -0.02 0.46 0.29 0.40 0.37 0.00 0.00 175.52 177.02 1rfy h ILE 34 N 0.84 1.18 -0.16 3.11 2.04 -0.66 -0.38 117.51 123.48 1rfy h ILE 34 Ca 0.12 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1rfy h ILE 34 Cb 0.74 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1rfy h ILE 34 CO 0.06 0.19 -0.25 0.44 0.00 0.00 0.00 178.15 178.58 1rfy h ASP 35 N 0.71 0.29 0.36 1.72 3.32 -1.21 -2.03 116.42 119.58 1rfy h ASP 35 Ca 0.19 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1rfy h ASP 35 Cb 0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1rfy h ASP 35 CO -0.03 0.55 -0.41 0.00 -1.72 0.00 0.00 179.24 177.63 1rfy h ALA 36 N 1.47 1.26 -0.34 3.45 0.00 -0.53 -0.32 119.26 124.26 1rfy h ALA 36 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1rfy h ALA 36 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rfy h ALA 36 CO 0.04 0.54 -0.28 0.82 0.00 0.00 0.00 179.25 180.37 1rfy h ILE 37 N 0.06 1.29 -0.68 0.00 2.04 -0.42 -0.57 117.51 119.23 1rfy h ILE 37 Ca 0.00 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 1rfy h ILE 37 Cb 0.76 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1rfy h ILE 37 CO 0.06 0.47 0.18 0.03 0.00 0.00 0.00 178.15 178.88 1rfy h ARG 38 N 0.56 1.09 -0.55 2.37 3.08 -1.02 -1.81 114.38 118.10 1rfy h ARG 38 Ca 0.06 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1rfy h ARG 38 Cb 0.85 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1rfy h ARG 38 CO 0.07 0.96 0.19 1.15 -1.07 0.00 0.00 179.97 181.27 1rfy h THR 39 N 1.02 1.23 -0.37 2.04 2.02 -0.93 -2.37 112.91 115.55 1rfy h THR 39 Ca 0.22 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1rfy h THR 39 Cb 0.35 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1rfy h THR 39 CO 0.00 0.29 0.19 -0.74 0.37 0.00 0.00 175.52 175.63 1rfy h HIS 40 N 0.76 0.35 -0.83 3.16 -0.00 -0.80 -0.44 115.15 117.36 1rfy h HIS 40 Ca 0.18 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.62 1rfy h HIS 40 Cb 0.26 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 1rfy h HIS 40 CO 0.01 0.19 0.51 0.00 -0.00 0.00 0.00 177.93 178.65 1rfy h ARG 41 N 0.39 0.93 -0.34 5.26 3.08 -1.12 0.54 114.38 123.11 1rfy h ARG 41 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1rfy h ARG 41 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1rfy h ARG 41 CO -0.10 0.61 0.02 -0.09 -1.07 0.00 0.00 179.97 179.34 1rfy h ARG 42 N 0.95 0.59 -0.39 0.04 2.43 -0.89 -1.66 114.38 115.46 1rfy h ARG 42 Ca 0.35 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1rfy h ARG 42 Cb 0.13 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1rfy h ARG 42 CO -0.16 0.70 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.79 1rfy h LEU 43 N 0.41 0.70 -0.38 3.80 3.38 -0.61 -1.47 115.31 121.13 1rfy h LEU 43 Ca 0.10 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1rfy h LEU 43 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1rfy h LEU 43 CO 0.01 0.85 -0.05 0.58 0.09 0.00 0.00 178.44 179.92 1rfy h VAL 44 N 0.64 1.27 -0.74 1.22 2.07 -0.82 -1.48 116.25 118.41 1rfy h VAL 44 Ca 0.11 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1rfy h VAL 44 Cb 0.59 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1rfy h VAL 44 CO 0.04 0.36 0.40 -0.33 0.02 0.00 0.00 177.57 178.07 1rfy h GLU 45 N 0.51 1.03 -0.09 1.57 3.07 -1.09 0.12 114.58 119.70 1rfy h GLU 45 Ca 0.10 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1rfy h GLU 45 Cb 0.55 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1rfy h GLU 45 CO 0.03 0.77 0.01 -0.22 -1.40 0.00 0.00 179.01 178.20 1rfy h LYS 46 N 1.02 0.16 -0.88 2.33 1.63 -1.17 -0.98 116.57 118.68 1rfy h LYS 46 Ca 0.26 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1rfy h LYS 46 Cb 0.04 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 1rfy h LYS 46 CO -0.04 0.40 0.46 0.00 -3.45 0.00 0.00 179.45 176.82 1rfy h ALA 47 N 0.75 1.13 -0.45 5.00 0.00 -1.10 -2.30 119.26 122.28 1rfy h ALA 47 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1rfy h ALA 47 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1rfy h ALA 47 CO 0.00 0.66 0.13 0.22 0.00 0.00 0.00 179.25 180.26 1rfy h ASP 48 N 1.24 0.67 -0.81 0.00 1.82 -0.87 -0.66 116.42 117.80 1rfy h ASP 48 Ca 0.31 -0.22 0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1rfy h ASP 48 Cb 0.06 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 39.84 1rfy h ASP 48 CO -0.05 0.71 0.51 -0.33 -1.61 0.00 0.00 179.24 178.47 1rfy h GLU 49 N 0.59 0.95 -0.12 0.28 5.08 -0.84 -0.86 114.58 119.65 1rfy h GLU 49 Ca 0.14 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1rfy h GLU 49 Cb 0.29 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1rfy h GLU 49 CO -0.00 0.63 -0.66 -0.07 -1.00 0.00 0.00 179.01 177.91 1rfy h LEU 50 N 0.98 0.56 -0.46 1.33 3.38 -1.21 -3.09 115.31 116.79 1rfy h LEU 50 Ca 0.33 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1rfy h LEU 50 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rfy h LEU 50 CO -0.13 1.06 0.14 0.15 0.09 0.00 0.00 178.44 179.75 1rfy h PHE 51 N 0.35 0.75 -0.54 1.13 3.57 -0.59 -2.91 116.94 118.70 1rfy h PHE 51 Ca -0.02 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1rfy h PHE 51 Cb 1.22 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1rfy h PHE 51 CO 0.05 0.67 0.36 1.96 -2.23 0.00 0.00 178.31 179.12 1rfy h GLN 52 N 0.62 0.59 -0.00 1.11 1.08 -1.15 -2.00 115.11 115.35 1rfy h GLN 52 Ca 0.15 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1rfy h GLN 52 Cb 0.28 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1rfy h GLN 52 CO -0.00 0.39 -0.04 0.00 -0.95 0.00 0.00 178.83 178.22 1rfy n ALA 53 N -2.47 2.56 -1.77 3.87 0.00 -1.11 -4.87 120.51 116.71 1rfy n ALA 53 Ca 0.06 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1rfy n ALA 53 Cb 0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1rfy n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rfy s LEU 54 N -2.63 4.06 0.79 0.00 1.43 -0.76 -4.99 118.68 116.58 1rfy s LEU 54 Ca 0.26 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 1rfy s LEU 54 Cb 0.20 -4.21 0.07 0.00 0.03 0.00 0.00 46.19 42.28 1rfy s LEU 54 CO 0.48 -0.78 1.18 -2.84 0.23 0.00 0.00 176.35 174.62 1rfy s PRO 55 N -2.62 1.80 0.31 1.29 0.02 -1.26 -4.75 135.00 129.79 1rfy s PRO 55 Ca 0.62 1.64 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1rfy s PRO 55 Cb -0.27 -1.81 0.63 0.00 0.02 0.00 0.00 34.50 33.07 1rfy s PRO 55 CO 0.33 -2.07 1.86 1.49 -0.33 0.00 0.00 177.00 178.28 1rfy h GLU 56 N -0.87 0.88 -0.01 5.54 4.57 -1.96 -0.96 114.58 121.78 1rfy h GLU 56 Ca -0.46 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1rfy h GLU 56 Cb 1.28 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1rfy h GLU 56 CO 0.47 0.59 -0.03 1.79 -1.18 0.00 0.00 179.01 180.65 1rfy h THR 57 N 0.91 1.03 0.13 0.32 1.35 -1.95 -1.03 112.91 113.67 1rfy h THR 57 Ca 0.47 -0.14 -0.29 0.00 -0.55 0.00 0.00 66.41 65.90 1rfy h THR 57 Cb 0.52 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1rfy h THR 57 CO -0.23 0.04 -1.34 1.88 -0.25 0.00 0.00 175.52 175.62 1rfy h TYR 58 N 0.02 0.48 0.00 4.73 -1.99 -1.39 0.32 116.97 119.15 1rfy h TYR 58 Ca 0.00 -0.35 -0.06 0.00 2.00 0.00 0.00 58.73 60.32 1rfy h TYR 58 Cb 0.07 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1rfy h TYR 58 CO 0.00 1.31 -0.30 0.87 -0.00 0.00 0.00 178.16 180.04 1rfy h LYS 59 N 0.07 0.00 -0.01 4.88 1.57 -0.70 -2.36 116.57 120.02 1rfy h LYS 59 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1rfy h LYS 59 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1rfy h LYS 59 CO 0.19 0.30 -0.22 0.25 -0.57 0.00 0.00 179.45 179.40 1rfy n THR 60 N -4.17 0.00 -1.00 -0.16 -2.24 -0.47 -4.95 114.28 101.29 1rfy n THR 60 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1rfy n THR 60 Cb 0.35 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1rfy n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfy n GLY 61 N 1.32 0.55 0.13 3.38 0.00 -0.89 -4.90 105.19 104.77 1rfy n GLY 61 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1rfy n GLY 61 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rfy h GLN 62 N 1.23 0.00 -6.42 1.61 4.20 -1.25 -3.44 115.11 111.05 1rfy h GLN 62 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1rfy h GLN 62 Cb 0.04 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.53 1rfy h GLN 62 CO 0.00 0.64 -0.87 0.00 -0.67 0.00 0.00 178.83 177.93 1rfy s ALA 63 N -3.15 2.02 0.01 3.87 0.00 -0.54 -5.00 121.76 118.97 1rfy s ALA 63 Ca 0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1rfy s ALA 63 Cb 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1rfy s ALA 63 CO 0.76 0.48 0.05 0.00 0.00 0.00 0.00 175.76 177.05 1rfy n GLY 65 N 1.53 1.98 0.00 0.00 0.00 -1.26 -5.13 105.19 102.30 1rfy n GLY 65 Ca -0.23 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1rfy n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfy n GLY 66 N 1.74 2.33 0.18 -0.02 0.00 -1.26 -4.46 105.19 103.69 1rfy n GLY 66 Ca 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1rfy n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rfy h PRO 67 N 0.00 0.08 -0.50 1.61 0.11 -2.01 -1.01 132.00 130.28 1rfy h PRO 67 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1rfy h PRO 67 Cb 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1rfy h PRO 67 CO 0.00 0.05 0.28 0.37 -0.21 0.00 0.00 178.00 178.49 1rfy h GLN 68 N 0.08 0.70 -0.52 1.05 4.15 -2.00 -1.33 115.11 117.24 1rfy h GLN 68 Ca 0.22 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1rfy h GLN 68 Cb 0.32 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1rfy h GLN 68 CO -0.38 0.54 0.19 1.25 -1.93 0.00 0.00 178.83 178.50 1rfy h HIS 69 N 0.67 0.82 -0.56 3.99 2.76 -1.70 -2.26 115.15 118.86 1rfy h HIS 69 Ca 0.18 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 1rfy h HIS 69 Cb 0.04 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.72 1rfy h HIS 69 CO -0.02 0.69 0.30 0.82 -1.30 0.00 0.00 177.93 178.42 1rfy h ILE 70 N 0.71 0.97 -0.86 6.26 2.04 -0.89 -0.19 117.51 125.55 1rfy h ILE 70 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1rfy h ILE 70 Cb 0.24 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1rfy h ILE 70 CO -0.01 0.11 0.44 0.03 0.00 0.00 0.00 178.15 178.72 1rfy h ARG 71 N 0.58 1.21 -0.27 2.37 3.08 -0.94 -0.29 114.38 120.12 1rfy h ARG 71 Ca 0.25 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1rfy h ARG 71 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1rfy h ARG 71 CO -0.16 0.91 0.07 -0.92 -1.07 0.00 0.00 179.97 178.80 1rfy h TYR 72 N 1.21 0.44 -0.56 3.04 3.20 -0.82 -1.83 116.97 121.64 1rfy h TYR 72 Ca 0.30 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1rfy h TYR 72 Cb 0.08 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1rfy h TYR 72 CO 0.01 0.49 0.34 0.82 -1.64 0.00 0.00 178.16 178.18 1rfy h ILE 73 N 0.26 1.07 -0.78 1.81 2.04 -0.66 0.31 117.51 121.56 1rfy h ILE 73 Ca 0.08 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1rfy h ILE 73 Cb 0.27 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1rfy h ILE 73 CO -0.00 0.12 0.31 -0.33 0.00 0.00 0.00 178.15 178.25 1rfy h GLU 74 N 0.68 1.16 -0.56 2.37 5.08 -0.94 0.21 114.58 122.58 1rfy h GLU 74 Ca 0.22 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1rfy h GLU 74 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1rfy h GLU 74 CO -0.09 0.94 -0.01 0.00 -1.00 0.00 0.00 179.01 178.85 1rfy h ALA 75 N 1.20 0.93 -0.37 3.43 0.00 -0.75 -1.80 119.26 121.90 1rfy h ALA 75 Ca 0.26 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1rfy h ALA 75 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rfy h ALA 75 CO -0.02 0.64 -0.31 1.03 0.00 0.00 0.00 179.25 180.59 1rfy h SER 76 N 0.88 0.85 -0.23 0.00 0.87 -0.36 -1.98 113.55 113.58 1rfy h SER 76 Ca 0.16 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1rfy h SER 76 Cb 0.53 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1rfy h SER 76 CO 0.03 1.09 0.13 0.40 -0.53 0.00 0.00 176.83 177.95 1rfy h ILE 77 N 0.69 1.09 -0.87 2.23 2.04 -0.34 0.21 117.51 122.56 1rfy h ILE 77 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1rfy h ILE 77 Cb 0.85 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1rfy h ILE 77 CO 0.07 0.09 0.47 -0.08 0.00 0.00 0.00 178.15 178.71 1rfy h GLU 78 N 0.27 1.21 0.15 2.37 4.81 -1.24 -0.43 114.58 121.73 1rfy h GLU 78 Ca 0.08 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1rfy h GLU 78 Cb 0.03 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1rfy h GLU 78 CO -0.01 0.89 -0.07 1.98 -0.73 0.00 0.00 179.01 181.06 1rfy h MET 79 N 1.22 -0.20 -0.64 1.92 4.05 -0.91 -1.45 114.93 118.91 1rfy h MET 79 Ca 0.30 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1rfy h MET 79 Cb 0.03 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1rfy h MET 79 CO -0.05 -0.05 0.39 0.45 0.23 0.00 0.00 176.91 177.88 1rfy h HIS 80 N -0.30 0.85 -0.00 1.39 3.86 -0.70 0.24 115.15 120.49 1rfy h HIS 80 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rfy h HIS 80 Cb 0.23 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1rfy h HIS 80 CO -0.04 0.57 0.00 0.00 0.86 0.00 0.00 177.93 179.33 1rfy h ALA 81 N 1.20 0.01 -0.21 2.45 0.00 -1.01 -1.88 119.26 119.82 1rfy h ALA 81 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1rfy h ALA 81 Cb -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rfy h ALA 81 CO -0.04 -0.49 -0.19 0.37 0.00 0.00 0.00 179.25 178.91 1rfy h GLN 82 N -0.01 0.36 -0.44 0.00 -0.00 -1.08 -2.32 115.11 111.62 1rfy h GLN 82 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 1rfy h GLN 82 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 1rfy h GLN 82 CO -0.00 0.54 0.03 1.98 0.00 0.00 0.00 178.83 181.38 1rfy h MET 83 N 0.33 0.71 -0.35 1.69 4.05 -0.64 0.06 114.93 120.79 1rfy h MET 83 Ca 0.06 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 1rfy h MET 83 Cb 0.52 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1rfy h MET 83 CO 0.03 0.71 0.00 0.66 0.23 0.00 0.00 176.91 178.54 1rfy h SER 84 N 0.67 0.51 -0.18 1.39 4.64 -0.78 0.14 113.55 119.94 1rfy h SER 84 Ca 0.14 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1rfy h SER 84 Cb 0.38 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1rfy h SER 84 CO 0.01 0.58 -0.20 0.00 -0.87 0.00 0.00 176.83 176.34 1rfy h ALA 85 N 1.49 0.26 -0.44 5.18 0.00 -1.16 -2.43 119.26 122.17 1rfy h ALA 85 Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1rfy h ALA 85 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rfy h ALA 85 CO 0.01 0.20 0.22 1.25 0.00 0.00 0.00 179.25 180.93 1rfy h LEU 86 N 0.10 0.57 -1.19 0.00 5.85 -0.59 -0.37 115.31 119.68 1rfy h LEU 86 Ca 0.02 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1rfy h LEU 86 Cb 0.75 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1rfy h LEU 86 CO 0.05 0.52 0.53 0.78 -0.34 0.00 0.00 178.44 179.98 1rfy h ASN 87 N 0.58 0.94 -0.39 1.25 2.35 -1.01 -0.74 115.58 118.55 1rfy h ASN 87 Ca 0.15 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1rfy h ASN 87 Cb 0.09 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1rfy h ASN 87 CO -0.02 0.69 -0.03 0.74 -1.65 0.00 0.00 177.43 177.15 1rfy h THR 88 N 1.10 1.27 -0.73 2.81 2.02 -0.90 -0.73 112.91 117.75 1rfy h THR 88 Ca 0.30 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1rfy h THR 88 Cb -0.11 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1rfy h THR 88 CO -0.06 0.36 0.39 -0.07 0.37 0.00 0.00 175.52 176.50 1rfy h LEU 89 N 0.53 0.92 -0.82 2.58 3.38 -0.52 -0.98 115.31 120.40 1rfy h LEU 89 Ca 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1rfy h LEU 89 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1rfy h LEU 89 CO 0.03 0.76 0.12 0.40 0.09 0.00 0.00 178.44 179.84 1rfy h ILE 90 N 1.01 1.25 -0.61 1.22 2.04 -1.00 -0.90 117.51 120.52 1rfy h ILE 90 Ca 0.26 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1rfy h ILE 90 Cb 0.06 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1rfy h ILE 90 CO -0.04 0.36 0.28 -1.28 0.00 0.00 0.00 178.15 177.47 1rfy h SER 91 N 0.94 0.81 -0.15 1.72 0.87 -0.55 0.15 113.55 117.34 1rfy h SER 91 Ca 0.19 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1rfy h SER 91 Cb 0.39 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1rfy h SER 91 CO 0.01 0.72 -0.02 0.40 -0.53 0.00 0.00 176.83 177.41 1rfy h ILE 92 N 0.83 1.28 -0.73 2.23 2.04 -0.93 -3.15 117.51 119.08 1rfy h ILE 92 Ca 0.21 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1rfy h ILE 92 Cb 0.14 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1rfy h ILE 92 CO -0.02 0.27 0.24 0.25 0.00 0.00 0.00 178.15 178.89 1rfy h LEU 93 N -0.01 1.06 0.00 1.44 5.85 -1.02 -3.47 115.31 119.16 1rfy h LEU 93 Ca 0.04 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rfy h LEU 93 Cb 0.43 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1rfy h LEU 93 CO 0.01 0.97 0.00 0.61 -0.34 0.00 0.00 178.44 179.70 1rfy n GLY 94 N -0.80 0.71 3.67 3.75 0.00 0.50 -5.04 105.19 107.98 1rfy n GLY 94 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1rfy n GLY 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rfy s PHE 95 N -2.27 -0.19 -0.43 1.61 -0.12 -1.19 -5.03 117.98 110.36 1rfy s PHE 95 Ca 0.00 -0.05 -0.15 0.00 -0.05 0.00 0.00 56.93 56.68 1rfy s PHE 95 Cb 0.00 0.60 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1rfy s PHE 95 CO 0.00 -0.71 0.33 0.42 -0.05 0.00 0.00 175.22 175.21 1rfy s ILE 96 N -3.19 5.20 0.73 -4.49 1.01 -1.26 -4.74 121.20 114.47 1rfy s ILE 96 Ca 0.10 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 1rfy s ILE 96 Cb -0.01 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1rfy s ILE 96 CO -0.02 -0.40 1.19 -2.16 0.00 0.00 0.00 174.94 173.55 1rfy s PRO 97 N 1.66 2.15 0.00 2.79 0.04 -1.26 -5.18 135.00 135.19 1rfy s PRO 97 Ca 0.04 1.70 0.26 0.00 0.04 0.00 0.00 61.00 63.04 1rfy s PRO 97 Cb -0.21 -1.84 1.55 0.00 0.04 0.00 0.00 34.50 34.04 1rfy s PRO 97 CO 0.09 -1.82 1.90 0.36 0.04 0.00 0.00 177.00 177.57