#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha h GLN 3 N 0.00 0.67 -4.96 0.00 5.75 -2.03 -3.35 115.11 111.20 1bha h GLN 3 Ca 0.00 -0.14 -0.69 0.00 -0.15 0.00 0.00 58.65 57.67 1bha h GLN 3 Cb 0.00 -0.10 -0.18 0.00 1.07 0.00 0.00 27.48 28.27 1bha h GLN 3 CO 0.00 0.65 0.74 0.42 -2.65 0.00 0.00 178.83 177.98 1bha s ILE 4 N -5.45 4.77 0.00 2.39 -1.09 -1.26 -4.66 121.20 115.90 1bha s ILE 4 Ca -0.13 -1.54 0.19 0.00 -2.23 0.00 0.00 60.65 56.94 1bha s ILE 4 Cb 0.11 -4.74 0.31 0.00 -1.58 0.00 0.00 42.46 36.56 1bha s ILE 4 CO 0.77 -1.46 1.12 1.07 -1.23 0.00 0.00 174.94 175.21 1bha n THR 5 N 5.42 0.00 -1.66 2.92 5.66 -1.26 -5.05 114.28 120.31 1bha n THR 5 Ca 0.20 -0.73 -0.32 0.00 -3.05 0.00 0.00 64.05 60.16 1bha n THR 5 Cb 0.48 0.86 0.05 0.00 -1.55 0.00 0.00 70.33 70.17 1bha n THR 5 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1bha s GLY 6 N -1.71 1.84 0.50 1.09 0.00 -1.26 -4.80 107.32 102.98 1bha s GLY 6 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1bha s GLY 6 CO -0.12 0.56 0.00 0.54 0.00 0.00 0.00 173.10 174.08 1bha n ARG 7 N -2.84 -2.99 0.00 2.90 5.12 -1.26 -4.10 116.66 113.49 1bha n ARG 7 Ca 0.08 2.40 0.14 0.00 -1.93 0.00 0.00 57.85 58.54 1bha n ARG 7 Cb 0.53 -3.24 0.59 0.00 -1.16 0.00 0.00 32.46 29.19 1bha n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bha n PRO 8 N -3.34 0.27 -0.01 5.56 -0.04 -1.26 -3.48 135.00 132.69 1bha n PRO 8 Ca -0.05 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 1bha n PRO 8 Cb 0.50 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1bha n PRO 8 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bha h GLU 9 N 0.14 0.59 -0.09 0.54 3.07 -1.96 0.66 114.58 117.53 1bha h GLU 9 Ca 0.00 -0.33 -0.15 0.00 -0.50 0.00 0.00 59.36 58.38 1bha h GLU 9 Cb 0.42 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1bha h GLU 9 CO 0.00 0.93 -0.61 2.35 -1.40 0.00 0.00 179.01 180.28 1bha h TRP 10 N 0.48 0.40 -0.28 4.33 7.01 -1.71 0.02 115.95 126.20 1bha h TRP 10 Ca 0.03 -0.16 -0.16 0.00 2.11 0.00 0.00 58.89 60.71 1bha h TRP 10 Cb 0.99 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 1bha h TRP 10 CO 0.04 0.84 -0.47 0.82 -2.79 0.00 0.00 178.44 176.88 1bha h ILE 11 N 0.23 1.29 -0.27 2.65 1.08 -1.60 0.64 117.51 121.52 1bha h ILE 11 Ca -0.01 -1.67 -0.14 0.00 -0.39 0.00 0.00 64.86 62.66 1bha h ILE 11 Cb 1.13 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 1bha h ILE 11 CO 0.10 0.54 -0.39 -0.25 -0.69 0.00 0.00 178.15 177.46 1bha h TRP 12 N 0.59 0.75 -0.38 1.37 2.91 -0.68 0.32 115.95 120.83 1bha h TRP 12 Ca 0.03 -0.22 -0.07 0.00 1.13 0.00 0.00 58.89 59.77 1bha h TRP 12 Cb 1.04 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 1bha h TRP 12 CO 0.05 0.93 -0.03 1.25 -1.03 0.00 0.00 178.44 179.62 1bha h LEU 13 N 0.52 0.68 -0.84 0.65 6.46 -0.75 0.57 115.31 122.61 1bha h LEU 13 Ca 0.05 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 1bha h LEU 13 Cb 0.91 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1bha h LEU 13 CO 0.08 0.84 0.12 0.00 -0.62 0.00 0.00 178.44 178.86 1bha h ALA 14 N 0.86 1.05 -0.65 1.25 0.00 -0.67 -0.06 119.26 121.04 1bha h ALA 14 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1bha h ALA 14 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1bha h ALA 14 CO 0.02 0.62 0.10 1.25 0.00 0.00 0.00 179.25 181.24 1bha h LEU 15 N 0.93 1.04 -0.54 0.00 6.46 -0.65 0.05 115.31 122.60 1bha h LEU 15 Ca 0.19 -0.26 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1bha h LEU 15 Cb 0.38 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1bha h LEU 15 CO 0.01 1.04 0.10 1.23 -0.62 0.00 0.00 178.44 180.19 1bha h GLY 16 N 1.00 0.95 1.37 3.75 0.00 -0.36 0.73 103.07 110.50 1bha h GLY 16 Ca 0.20 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1bha h GLY 16 CO 0.01 0.58 -0.11 -0.84 0.00 0.00 0.00 176.54 176.18 1bha h THR 17 N 0.77 1.26 -0.29 4.70 2.02 -0.77 -0.23 112.91 120.36 1bha h THR 17 Ca 0.16 -1.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.04 1bha h THR 17 Cb 0.39 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1bha h THR 17 CO 0.01 0.39 -0.40 0.00 0.37 0.00 0.00 175.52 175.89 1bha h ALA 18 N 1.19 0.74 -0.29 6.16 0.00 -0.70 0.09 119.26 126.45 1bha h ALA 18 Ca 0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1bha h ALA 18 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bha h ALA 18 CO 0.04 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.58 0.47 -0.60 0.00 6.46 -0.49 0.23 115.31 121.96 1bha h LEU 19 Ca 0.05 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 1bha h LEU 19 Cb 0.94 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1bha h LEU 19 CO 0.09 0.63 0.19 0.24 -0.62 0.00 0.00 178.44 178.97 1bha h MET 20 N 0.29 0.92 -0.70 1.25 2.86 -0.93 -0.37 114.93 118.26 1bha h MET 20 Ca 0.08 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1bha h MET 20 Cb 0.37 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1bha h MET 20 CO 0.01 0.82 0.19 0.78 1.06 0.00 0.00 176.91 179.77 1bha h GLY 21 N 0.84 1.19 1.05 8.32 0.00 -0.82 -0.23 103.07 113.42 1bha h GLY 21 Ca 0.19 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1bha h GLY 21 CO -0.01 0.67 -0.05 -2.00 0.00 0.00 0.00 176.54 175.16 1bha h LEU 22 N 1.05 0.94 -0.48 3.11 5.85 -0.67 -0.26 115.31 124.86 1bha h LEU 22 Ca 0.22 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1bha h LEU 22 Cb 0.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1bha h LEU 22 CO -0.00 1.05 0.19 1.23 -0.34 0.00 0.00 178.44 180.57 1bha h GLY 23 N 0.82 0.78 1.24 3.75 0.00 -0.71 0.11 103.07 109.04 1bha h GLY 23 Ca 0.14 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1bha h GLY 23 CO 0.04 0.40 -0.02 -0.84 0.00 0.00 0.00 176.54 176.12 1bha h THR 24 N 0.64 1.26 -0.13 4.70 2.02 -0.89 -0.30 112.91 120.21 1bha h THR 24 Ca 0.16 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1bha h THR 24 Cb 0.20 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1bha h THR 24 CO -0.01 0.39 0.04 0.25 0.37 0.00 0.00 175.52 176.56 1bha h LEU 25 N 0.84 0.18 -1.35 2.58 5.85 -0.73 -1.11 115.31 121.58 1bha h LEU 25 Ca 0.15 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1bha h LEU 25 Cb 0.52 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1bha h LEU 25 CO 0.03 0.33 0.17 0.22 -0.34 0.00 0.00 178.44 178.85 1bha h TYR 26 N 0.03 0.61 -0.29 1.25 3.20 -0.79 -0.40 116.97 120.57 1bha h TYR 26 Ca 0.04 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1bha h TYR 26 Cb 0.21 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1bha h TYR 26 CO -0.00 0.48 -0.24 0.35 -1.64 0.00 0.00 178.16 177.11 1bha h PHE 27 N 0.61 0.63 -0.03 -3.82 3.57 -0.70 -2.04 116.94 115.17 1bha h PHE 27 Ca 0.15 -0.14 -0.18 0.00 3.53 0.00 0.00 57.97 61.34 1bha h PHE 27 Cb 0.13 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1bha h PHE 27 CO 0.01 0.75 -0.77 -0.07 -2.23 0.00 0.00 178.31 176.00 1bha h LEU 28 N 0.50 0.29 0.35 0.59 3.38 -0.43 0.93 115.31 120.91 1bha h LEU 28 Ca 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1bha h LEU 28 Cb 0.68 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1bha h LEU 28 CO 0.05 0.95 -0.17 0.58 0.09 0.00 0.00 178.44 179.94 1bha h VAL 29 N 0.15 0.67 0.00 1.22 2.07 -0.74 0.05 116.25 119.68 1bha h VAL 29 Ca -0.03 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1bha h VAL 29 Cb 1.35 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1bha h VAL 29 CO 0.12 0.03 -0.25 0.07 0.02 0.00 0.00 177.57 177.56 1bha h LYS 30 N -0.54 0.00 -0.43 1.57 2.10 -1.41 -0.33 116.57 117.54 1bha h LYS 30 Ca -0.05 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.55 1bha h LYS 30 Cb 0.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1bha h LYS 30 CO 0.08 0.25 0.08 0.78 -2.00 0.00 0.00 179.45 178.63 1bha h GLY 31 N 2.10 0.75 1.48 0.07 0.00 -0.27 0.17 103.07 107.37 1bha h GLY 31 Ca -0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 47.33 46.55 1bha h GLY 31 CO 0.03 0.46 -1.36 -0.33 0.00 0.00 0.00 176.54 175.34 1bha h MET 32 N 0.56 0.20 0.13 4.80 2.86 -0.86 -3.38 114.93 119.25 1bha h MET 32 Ca 0.13 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1bha h MET 32 Cb 0.36 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1bha h MET 32 CO 0.01 1.09 -0.06 0.78 1.06 0.00 0.00 176.91 179.78 1bha h GLY 33 N 1.99 -0.19 0.00 8.32 0.00 -1.00 -3.51 103.07 108.68 1bha h GLY 33 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1bha h GLY 33 CO 0.17 -0.07 0.00 1.55 0.00 0.00 0.00 176.54 178.19 1bha n VAL 34 N -2.78 0.00 0.52 4.60 3.14 0.58 -5.06 118.33 119.33 1bha n VAL 34 Ca -0.02 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.47 1bha n VAL 34 Cb 0.07 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.77 1bha n VAL 34 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bha n PRO 37 N 9.99 0.31 0.23 1.45 -0.04 -1.26 -5.12 135.00 140.57 1bha n PRO 37 Ca 0.00 -0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1bha n PRO 37 Cb 0.00 -1.54 0.43 0.00 -0.04 0.00 0.00 33.50 32.34 1bha n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bha h ASP 38 N 0.00 0.00 0.74 3.54 3.32 -2.05 -1.46 116.42 120.52 1bha h ASP 38 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1bha h ASP 38 Cb 0.74 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1bha h ASP 38 CO 0.00 0.17 -1.36 0.00 -1.72 0.00 0.00 179.24 176.33 1bha h ALA 39 N 1.83 0.65 -0.03 3.45 0.00 -2.05 -3.08 119.26 120.03 1bha h ALA 39 Ca -0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 1bha h ALA 39 Cb 0.79 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bha h ALA 39 CO 0.02 0.85 -0.23 0.87 0.00 0.00 0.00 179.25 180.76 1bha h LYS 40 N 0.00 0.21 -0.48 0.00 1.57 -1.92 -1.36 116.57 114.60 1bha h LYS 40 Ca -0.15 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1bha h LYS 40 Cb 1.54 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1bha h LYS 40 CO 0.04 0.86 0.09 1.57 -0.57 0.00 0.00 179.45 181.44 1bha h LYS 41 N -0.37 0.74 -0.20 3.15 2.10 -1.42 -0.44 116.57 120.13 1bha h LYS 41 Ca -0.02 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1bha h LYS 41 Cb 0.91 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1bha h LYS 41 CO 0.05 0.69 0.01 0.35 -2.00 0.00 0.00 179.45 178.55 1bha h PHE 42 N 0.71 0.38 -0.38 0.07 3.57 -1.53 -1.89 116.94 117.87 1bha h PHE 42 Ca 0.16 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1bha h PHE 42 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1bha h PHE 42 CO 0.02 0.53 0.03 -0.92 -2.23 0.00 0.00 178.31 175.74 1bha h TYR 43 N 0.11 0.61 -0.08 0.41 3.20 -0.94 -0.27 116.97 120.02 1bha h TYR 43 Ca 0.06 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bha h TYR 43 Cb 0.38 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1bha h TYR 43 CO 0.03 0.57 0.03 0.00 -1.64 0.00 0.00 178.16 177.15 1bha h ALA 44 N 1.47 0.11 -0.78 1.82 0.00 -0.90 0.12 119.26 121.09 1bha h ALA 44 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bha h ALA 44 Cb 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1bha h ALA 44 CO 0.01 -0.31 0.43 0.82 0.00 0.00 0.00 179.25 180.19 1bha h ILE 45 N -0.02 1.23 0.00 0.00 5.03 -1.03 0.25 117.51 122.98 1bha h ILE 45 Ca 0.03 -0.59 -0.04 0.00 -0.12 0.00 0.00 64.86 64.14 1bha h ILE 45 Cb 0.16 0.19 -0.01 0.00 -3.03 0.00 0.00 36.82 34.13 1bha h ILE 45 CO -0.00 0.26 -0.18 0.74 -0.68 0.00 0.00 178.15 178.29 1bha h THR 46 N 1.09 0.95 0.00 -0.27 2.02 -0.72 0.31 112.91 116.28 1bha h THR 46 Ca 0.28 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1bha h THR 46 Cb 0.04 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1bha h THR 46 CO -0.04 0.18 -0.63 0.74 0.37 0.00 0.00 175.52 176.13 1bha h THR 47 N 0.00 0.00 -0.54 3.16 2.02 0.51 -3.23 112.91 114.82 1bha h THR 47 Ca -0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1bha h THR 47 Cb 0.36 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1bha h THR 47 CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1bha n LEU 48 N -2.40 4.01 0.00 2.58 4.77 0.76 -4.48 117.00 122.24 1bha n LEU 48 Ca 0.03 -2.30 -0.11 0.00 -0.03 0.00 0.00 56.01 53.59 1bha n LEU 48 Cb 0.48 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1bha n LEU 48 CO 0.37 0.81 0.90 0.58 -1.33 0.00 0.00 177.39 178.72 1bha h VAL 49 N 3.31 1.04 0.00 4.08 2.07 -1.02 0.20 116.25 125.92 1bha h VAL 49 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1bha h VAL 49 Cb 1.16 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1bha h VAL 49 CO 0.12 0.03 -0.31 1.55 0.02 0.00 0.00 177.57 178.98 1bha h PRO 50 N 0.11 0.00 -0.33 1.57 0.13 0.30 -1.77 132.00 132.02 1bha h PRO 50 Ca 0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.99 1bha h PRO 50 Cb 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1bha h PRO 50 CO -0.01 0.31 -0.48 0.00 -0.23 0.00 0.00 178.00 177.59 1bha h ALA 51 N 1.69 0.50 -0.15 -0.56 0.00 1.06 -0.08 119.26 121.71 1bha h ALA 51 Ca -0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1bha h ALA 51 Cb 1.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bha h ALA 51 CO 0.04 0.67 -0.76 0.82 0.00 0.00 0.00 179.25 180.02 1bha h ILE 52 N 0.70 1.28 -0.82 0.00 2.04 -0.55 -1.40 117.51 118.76 1bha h ILE 52 Ca 0.03 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.92 1bha h ILE 52 Cb 1.09 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 1bha h ILE 52 CO 0.11 0.62 0.45 0.00 0.00 0.00 0.00 178.15 179.33 1bha h ALA 53 N 0.55 1.05 -0.40 1.87 0.00 -1.27 -1.19 119.26 119.87 1bha h ALA 53 Ca -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1bha h ALA 53 Cb 1.39 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bha h ALA 53 CO 0.16 0.56 -0.27 0.35 0.00 0.00 0.00 179.25 180.05 1bha h PHE 54 N 1.14 0.98 -0.62 0.00 3.57 -0.95 -1.18 116.94 119.88 1bha h PHE 54 Ca 0.29 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1bha h PHE 54 Cb 0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1bha h PHE 54 CO 0.00 1.02 0.38 1.15 -2.23 0.00 0.00 178.31 178.63 1bha h THR 55 N 0.73 1.18 -0.36 4.41 2.02 -0.71 0.21 112.91 120.39 1bha h THR 55 Ca 0.09 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 1bha h THR 55 Cb 0.81 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1bha h THR 55 CO 0.07 0.19 -0.23 0.24 0.37 0.00 0.00 175.52 176.15 1bha h MET 56 N 0.85 0.79 0.00 6.66 2.86 -1.11 0.13 114.93 125.10 1bha h MET 56 Ca 0.22 -0.37 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1bha h MET 56 Cb -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1bha h MET 56 CO -0.04 1.00 -0.29 -0.92 1.06 0.00 0.00 176.91 177.72 1bha h TYR 57 N 0.58 0.00 0.03 -0.22 3.20 -0.87 -1.63 116.97 118.07 1bha h TYR 57 Ca 0.07 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.69 1bha h TYR 57 Cb 0.79 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1bha h TYR 57 CO 0.06 0.29 -1.26 1.25 -1.64 0.00 0.00 178.16 176.86 1bha h LEU 58 N 0.00 0.10 -0.31 2.82 5.85 -0.40 0.13 115.31 123.50 1bha h LEU 58 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1bha h LEU 58 Cb 0.52 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1bha h LEU 58 CO 0.04 1.10 0.00 -0.24 -0.34 0.00 0.00 178.44 179.00 1bha n SER 59 N -3.32 0.48 -0.06 1.25 2.88 0.43 -1.95 113.62 113.33 1bha n SER 59 Ca -0.07 0.59 -0.11 0.00 -1.33 0.00 0.00 58.87 57.96 1bha n SER 59 Cb 0.99 -0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 63.71 1bha n SER 59 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1bha n MET 60 N -2.00 0.34 0.29 -1.46 0.00 -0.66 -1.48 117.12 112.15 1bha n MET 60 Ca 0.04 0.14 -0.16 0.00 -0.00 0.00 0.00 57.70 57.72 1bha n MET 60 Cb 0.28 -1.09 -0.08 0.00 0.00 0.00 0.00 33.22 32.32 1bha n MET 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1bha h LEU 61 N -0.62 -1.16 -0.63 -0.89 5.85 -0.84 -2.78 115.31 114.23 1bha h LEU 61 Ca -0.17 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 1bha h LEU 61 Cb 0.91 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1bha h LEU 61 CO -0.10 -0.60 -0.46 0.25 -0.34 0.00 0.00 178.44 177.19 1bha h LEU 62 N -0.92 0.57 -2.65 2.25 7.12 -1.56 -3.49 115.31 116.63 1bha h LEU 62 Ca -0.06 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.67 1bha h LEU 62 Cb 0.77 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1bha h LEU 62 CO -0.01 0.95 0.00 0.61 -0.13 0.00 0.00 178.44 179.85 1bha n GLY 63 N 0.08 -2.54 0.76 3.75 0.00 -1.04 -5.03 105.19 101.17 1bha n GLY 63 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 1bha n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bha n TYR 64 N 0.06 0.00 0.00 1.61 4.01 -0.55 -4.75 117.16 117.54 1bha n TYR 64 Ca 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1bha n TYR 64 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1bha n TYR 64 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bha n GLY 65 N 0.09 -0.23 0.12 2.72 0.00 -1.19 -4.92 105.19 101.78 1bha n GLY 65 Ca -0.04 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1bha n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bha h LEU 66 N 0.00 -0.16 -1.43 0.99 3.38 -1.75 -3.15 115.31 113.19 1bha h LEU 66 Ca 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1bha h LEU 66 Cb 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1bha h LEU 66 CO 0.00 0.40 -0.27 0.74 0.09 0.00 0.00 178.44 179.40 1bha h THR 67 N -0.99 0.92 -0.95 0.22 2.02 -1.79 -2.75 112.91 109.59 1bha h THR 67 Ca -0.02 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1bha h THR 67 Cb 0.38 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1bha h THR 67 CO 0.03 0.26 0.62 0.24 0.37 0.00 0.00 175.52 177.05 1bha h MET 68 N 0.00 1.17 -6.05 6.66 2.86 -1.84 -3.42 114.93 114.31 1bha h MET 68 Ca -0.00 -0.07 -0.58 0.00 -2.06 0.00 0.00 59.70 56.99 1bha h MET 68 Cb 0.58 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1bha h MET 68 CO 0.04 0.77 -0.50 0.14 1.06 0.00 0.00 176.91 178.41 1bha s VAL 69 N -6.09 5.13 -2.00 -2.22 -7.23 -1.04 -5.01 120.40 101.95 1bha s VAL 69 Ca -0.13 -0.69 0.24 0.00 -1.81 0.00 0.00 61.98 59.60 1bha s VAL 69 Cb 0.18 -3.59 0.68 0.00 0.56 0.00 0.00 36.38 34.21 1bha s VAL 69 CO 0.81 -0.02 1.78 -0.81 -0.31 0.00 0.00 175.10 176.56