#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha n GLN 3 N 0.00 3.83 -3.75 0.00 6.02 -1.26 -4.94 117.38 117.28 1bha n GLN 3 Ca 0.00 -4.52 -0.33 0.00 -0.01 0.00 0.00 57.00 52.15 1bha n GLN 3 Cb 0.00 -2.51 -0.05 0.00 1.02 0.00 0.00 30.24 28.71 1bha n GLN 3 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bha s ILE 4 N -2.02 5.27 -0.58 5.09 -1.09 -1.26 -5.00 121.20 121.60 1bha s ILE 4 Ca 0.31 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1bha s ILE 4 Cb -0.02 -3.60 0.51 0.00 -1.58 0.00 0.00 42.46 37.77 1bha s ILE 4 CO 0.00 0.22 1.95 1.07 -1.23 0.00 0.00 174.94 176.95 1bha n THR 5 N 0.63 3.45 0.00 2.92 5.66 -1.26 -4.56 114.28 121.11 1bha n THR 5 Ca -0.07 -2.73 0.00 0.00 -3.05 0.00 0.00 64.05 58.20 1bha n THR 5 Cb 0.52 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 1bha n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bha n GLY 6 N -0.98 -0.23 3.53 1.09 0.00 -1.26 -5.02 105.19 102.32 1bha n GLY 6 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 1bha n GLY 6 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bha n ARG 7 N -2.21 0.94 0.17 1.61 1.85 -1.26 -4.85 116.66 112.91 1bha n ARG 7 Ca 0.00 0.34 0.13 0.00 -1.00 0.00 0.00 57.85 57.32 1bha n ARG 7 Cb 0.00 -1.70 0.47 0.00 -1.05 0.00 0.00 32.46 30.18 1bha n ARG 7 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1bha h PRO 8 N 1.31 0.00 -0.36 2.89 0.13 -1.96 -2.98 132.00 131.03 1bha h PRO 8 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 1bha h PRO 8 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1bha h PRO 8 CO 0.56 0.00 -0.25 1.49 -0.23 0.00 0.00 178.00 179.57 1bha h GLU 9 N 0.00 0.72 -0.05 0.86 4.22 -1.98 0.17 114.58 118.51 1bha h GLU 9 Ca 0.00 -0.30 -0.16 0.00 0.08 0.00 0.00 59.36 58.99 1bha h GLU 9 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1bha h GLU 9 CO 0.00 0.89 -0.67 2.35 -2.18 0.00 0.00 179.01 179.41 1bha h TRP 10 N 0.62 0.31 -0.24 0.92 7.01 -1.83 -0.37 115.95 122.38 1bha h TRP 10 Ca 0.08 -0.13 -0.16 0.00 2.11 0.00 0.00 58.89 60.79 1bha h TRP 10 Cb 0.75 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1bha h TRP 10 CO 0.04 0.83 -0.49 0.82 -2.79 0.00 0.00 178.44 176.85 1bha h ILE 11 N 0.17 1.30 -0.27 2.65 1.08 -1.43 0.94 117.51 121.95 1bha h ILE 11 Ca -0.02 -1.70 -0.15 0.00 -0.39 0.00 0.00 64.86 62.60 1bha h ILE 11 Cb 1.20 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.59 1bha h ILE 11 CO 0.10 0.54 -0.45 -0.25 -0.69 0.00 0.00 178.15 177.40 1bha h TRP 12 N 0.52 0.85 -0.38 1.37 7.01 -0.49 0.16 115.95 124.99 1bha h TRP 12 Ca 0.02 -0.27 -0.06 0.00 2.11 0.00 0.00 58.89 60.69 1bha h TRP 12 Cb 1.04 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1bha h TRP 12 CO 0.05 1.02 -0.01 1.25 -2.79 0.00 0.00 178.44 177.97 1bha h LEU 13 N 0.56 0.66 -0.76 0.65 5.85 -0.84 0.75 115.31 122.19 1bha h LEU 13 Ca 0.04 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1bha h LEU 13 Cb 1.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1bha h LEU 13 CO 0.09 0.81 0.25 0.00 -0.34 0.00 0.00 178.44 179.25 1bha h ALA 14 N 0.87 0.99 -0.72 1.25 0.00 -0.67 0.13 119.26 121.12 1bha h ALA 14 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1bha h ALA 14 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1bha h ALA 14 CO 0.02 0.67 0.20 1.25 0.00 0.00 0.00 179.25 181.39 1bha h LEU 15 N 1.12 1.07 -0.51 0.00 5.85 -0.69 0.26 115.31 122.42 1bha h LEU 15 Ca 0.25 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1bha h LEU 15 Cb 0.29 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1bha h LEU 15 CO -0.01 1.01 0.11 1.23 -0.34 0.00 0.00 178.44 180.44 1bha h GLY 16 N 1.08 0.89 1.45 3.75 0.00 -0.29 0.88 103.07 110.83 1bha h GLY 16 Ca 0.23 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1bha h GLY 16 CO -0.00 0.53 -0.16 -0.84 0.00 0.00 0.00 176.54 176.07 1bha h THR 17 N 0.71 1.26 -0.29 4.70 2.02 -0.69 -0.28 112.91 120.33 1bha h THR 17 Ca 0.16 -1.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.01 1bha h THR 17 Cb 0.35 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1bha h THR 17 CO 0.00 0.39 -0.44 0.00 0.37 0.00 0.00 175.52 175.85 1bha h ALA 18 N 1.25 0.69 -0.28 6.16 0.00 -0.65 0.15 119.26 126.58 1bha h ALA 18 Ca 0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1bha h ALA 18 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bha h ALA 18 CO 0.04 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.24 1bha h LEU 19 N 0.59 0.46 -0.63 0.00 6.46 -0.46 0.16 115.31 121.89 1bha h LEU 19 Ca 0.04 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1bha h LEU 19 Cb 0.99 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 1bha h LEU 19 CO 0.09 0.62 0.17 0.24 -0.62 0.00 0.00 178.44 178.95 1bha h MET 20 N 0.28 0.99 -0.73 1.25 2.86 -0.96 -0.21 114.93 118.40 1bha h MET 20 Ca 0.08 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1bha h MET 20 Cb 0.37 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1bha h MET 20 CO 0.01 0.88 0.20 0.78 1.06 0.00 0.00 176.91 179.84 1bha h GLY 21 N 0.91 1.24 1.16 8.32 0.00 -0.80 -0.37 103.07 113.52 1bha h GLY 21 Ca 0.20 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1bha h GLY 21 CO -0.00 0.71 -0.17 -2.00 0.00 0.00 0.00 176.54 175.07 1bha h LEU 22 N 1.10 0.98 -0.56 3.11 5.85 -0.69 -0.35 115.31 124.74 1bha h LEU 22 Ca 0.23 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1bha h LEU 22 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1bha h LEU 22 CO -0.00 1.12 0.19 1.23 -0.34 0.00 0.00 178.44 180.64 1bha h GLY 23 N 0.92 0.93 1.09 3.75 0.00 -0.66 0.34 103.07 109.43 1bha h GLY 23 Ca 0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1bha h GLY 23 CO 0.06 0.51 -0.15 -0.84 0.00 0.00 0.00 176.54 176.11 1bha h THR 24 N 0.78 1.27 -0.38 4.70 2.02 -0.91 -0.50 112.91 119.89 1bha h THR 24 Ca 0.18 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1bha h THR 24 Cb 0.26 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1bha h THR 24 CO -0.01 0.46 0.17 0.25 0.37 0.00 0.00 175.52 176.76 1bha h LEU 25 N 0.86 0.50 -0.97 2.58 6.46 -0.81 -0.63 115.31 123.31 1bha h LEU 25 Ca 0.13 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1bha h LEU 25 Cb 0.73 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1bha h LEU 25 CO 0.06 0.50 0.14 0.22 -0.62 0.00 0.00 178.44 178.74 1bha h TYR 26 N 0.47 0.92 -0.23 1.25 3.20 -0.79 0.12 116.97 121.91 1bha h TYR 26 Ca 0.13 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1bha h TYR 26 Cb 0.14 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1bha h TYR 26 CO -0.01 0.76 -0.21 0.35 -1.64 0.00 0.00 178.16 177.41 1bha h PHE 27 N 0.85 0.46 -0.06 -3.82 3.57 -0.67 0.21 116.94 117.48 1bha h PHE 27 Ca 0.19 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 1bha h PHE 27 Cb 0.31 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1bha h PHE 27 CO 0.02 0.61 -0.73 -0.07 -2.23 0.00 0.00 178.31 175.90 1bha h LEU 28 N 0.38 0.76 -0.44 0.59 3.38 -0.58 0.26 115.31 119.65 1bha h LEU 28 Ca 0.06 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1bha h LEU 28 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1bha h LEU 28 CO 0.04 1.34 0.23 0.58 0.09 0.00 0.00 178.44 180.72 1bha h VAL 29 N 0.24 1.17 -0.09 1.22 2.07 -0.76 -0.06 116.25 120.04 1bha h VAL 29 Ca -0.07 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 1bha h VAL 29 Cb 1.39 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1bha h VAL 29 CO 0.15 0.18 -0.60 0.11 0.02 0.00 0.00 177.57 177.42 1bha h LYS 30 N 0.58 0.30 -0.46 1.57 1.79 -0.98 0.61 116.57 119.98 1bha h LYS 30 Ca 0.15 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1bha h LYS 30 Cb 0.07 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1bha h LYS 30 CO -0.02 0.81 0.30 0.78 -1.08 0.00 0.00 179.45 180.24 1bha h GLY 31 N 1.39 0.66 1.79 3.86 0.00 0.13 -2.69 103.07 108.22 1bha h GLY 31 Ca -0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 1bha h GLY 31 CO 0.10 0.25 -0.91 -0.33 0.00 0.00 0.00 176.54 175.65 1bha h MET 32 N 0.62 0.18 0.00 4.80 2.86 -0.96 -3.48 114.93 118.95 1bha h MET 32 Ca 0.17 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1bha h MET 32 Cb -0.05 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1bha h MET 32 CO -0.03 0.97 0.00 0.41 1.06 0.00 0.00 176.91 179.32 1bha n GLY 33 N 0.95 0.78 1.68 8.32 0.00 -0.27 -5.11 105.19 111.54 1bha n GLY 33 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1bha n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bha n VAL 34 N 0.00 0.00 0.00 1.61 3.14 0.05 -4.97 118.33 118.16 1bha n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bha n VAL 34 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.01 0.00 0.00 1.45 -0.04 -1.26 -5.06 135.00 130.07 1bha n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bha n PRO 37 Cb 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 1bha n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bha n ASP 38 N 1.60 0.00 -0.17 3.54 2.03 -1.26 -4.92 116.55 117.37 1bha n ASP 38 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1bha n ASP 38 Cb 0.00 0.01 0.07 0.00 -0.72 0.00 0.00 41.12 40.48 1bha n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bha h ALA 39 N 0.00 0.91 -0.31 -1.67 0.00 -2.05 0.19 119.26 116.34 1bha h ALA 39 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1bha h ALA 39 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bha h ALA 39 CO 0.00 0.64 -0.31 0.87 0.00 0.00 0.00 179.25 180.45 1bha h LYS 40 N 0.88 0.75 -0.48 0.00 1.57 -1.99 -0.70 116.57 116.60 1bha h LYS 40 Ca 0.15 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1bha h LYS 40 Cb 0.56 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1bha h LYS 40 CO 0.03 1.02 0.22 0.87 -0.57 0.00 0.00 179.45 181.02 1bha h LYS 41 N 0.51 0.70 -0.37 3.15 1.57 -1.86 0.21 116.57 120.49 1bha h LYS 41 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1bha h LYS 41 Cb 0.89 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1bha h LYS 41 CO 0.08 0.61 0.20 0.35 -0.57 0.00 0.00 179.45 180.11 1bha h PHE 42 N 0.63 0.51 -0.72 -1.35 3.57 -0.53 -1.67 116.94 117.39 1bha h PHE 42 Ca 0.16 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1bha h PHE 42 Cb 0.15 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1bha h PHE 42 CO -0.00 0.41 0.33 -0.92 -2.23 0.00 0.00 178.31 175.89 1bha h TYR 43 N 0.47 1.03 -0.31 0.41 3.20 -0.86 0.12 116.97 121.03 1bha h TYR 43 Ca 0.13 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1bha h TYR 43 Cb 0.07 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1bha h TYR 43 CO -0.02 0.76 0.19 0.00 -1.64 0.00 0.00 178.16 177.45 1bha h ALA 44 N 1.34 0.40 -0.64 1.82 0.00 -0.58 0.18 119.26 121.78 1bha h ALA 44 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1bha h ALA 44 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bha h ALA 44 CO -0.03 -0.10 0.19 0.82 0.00 0.00 0.00 179.25 180.13 1bha h ILE 45 N 0.41 1.24 0.00 0.00 5.03 -0.87 0.12 117.51 123.44 1bha h ILE 45 Ca 0.11 -0.85 0.00 0.00 -0.12 0.00 0.00 64.86 64.00 1bha h ILE 45 Cb 0.01 0.55 0.00 0.00 -3.03 0.00 0.00 36.82 34.35 1bha h ILE 45 CO -0.02 0.33 0.00 0.74 -0.68 0.00 0.00 178.15 178.52 1bha h THR 46 N 0.95 0.00 0.00 -0.27 2.02 -0.29 0.15 112.91 115.47 1bha h THR 46 Ca 0.21 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1bha h THR 46 Cb 0.29 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1bha h THR 46 CO -0.01 0.00 -1.17 0.41 0.37 0.00 0.00 175.52 175.13 1bha n THR 47 N -3.06 0.27 0.93 3.16 -1.04 0.56 -3.85 114.28 111.25 1bha n THR 47 Ca 0.00 -0.37 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1bha n THR 47 Cb 0.29 0.01 -0.04 0.00 -1.82 0.00 0.00 70.33 68.77 1bha n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bha n LEU 48 N -2.21 1.61 0.01 -4.42 7.99 0.27 -4.09 117.00 116.16 1bha n LEU 48 Ca 0.00 -0.68 -0.12 0.00 -0.01 0.00 0.00 56.01 55.20 1bha n LEU 48 Cb 0.49 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.72 1bha n LEU 48 CO 0.41 0.32 0.78 0.58 -1.51 0.00 0.00 177.39 177.97 1bha h VAL 49 N 1.55 1.16 0.00 4.08 2.07 -0.83 0.16 116.25 124.44 1bha h VAL 49 Ca 0.00 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1bha h VAL 49 Cb 0.63 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1bha h VAL 49 CO 0.00 0.12 -0.16 1.55 0.02 0.00 0.00 177.57 179.10 1bha h PRO 50 N -0.18 0.00 -0.17 1.57 0.13 -1.71 -1.96 132.00 129.68 1bha h PRO 50 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 1bha h PRO 50 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1bha h PRO 50 CO -0.00 0.16 -0.31 0.00 -0.23 0.00 0.00 178.00 177.62 1bha h ALA 51 N 1.84 0.27 -0.27 -0.56 0.00 -0.45 -0.77 119.26 119.31 1bha h ALA 51 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1bha h ALA 51 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bha h ALA 51 CO 0.02 0.29 -0.48 0.82 0.00 0.00 0.00 179.25 179.91 1bha h ILE 52 N 0.15 1.29 -0.78 0.00 1.08 -0.91 -1.69 117.51 116.66 1bha h ILE 52 Ca 0.01 -1.68 -0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1bha h ILE 52 Cb 0.90 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 1bha h ILE 52 CO 0.07 0.54 0.39 0.00 -0.69 0.00 0.00 178.15 178.46 1bha h ALA 53 N 0.89 1.00 -0.53 1.87 0.00 -1.32 0.85 119.26 122.02 1bha h ALA 53 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1bha h ALA 53 Cb 1.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1bha h ALA 53 CO 0.10 0.55 -0.01 0.35 0.00 0.00 0.00 179.25 180.24 1bha h PHE 54 N 1.09 1.02 -0.65 0.00 3.57 -0.97 0.14 116.94 121.16 1bha h PHE 54 Ca 0.27 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1bha h PHE 54 Cb 0.09 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1bha h PHE 54 CO 0.01 0.94 0.09 1.15 -2.23 0.00 0.00 178.31 178.27 1bha h THR 55 N 0.81 1.26 -0.29 4.41 2.02 -0.87 -2.24 112.91 118.02 1bha h THR 55 Ca 0.15 -1.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.14 1bha h THR 55 Cb 0.54 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1bha h THR 55 CO 0.03 0.39 -0.40 0.24 0.37 0.00 0.00 175.52 176.15 1bha h MET 56 N 1.01 0.69 -0.32 6.66 2.86 -0.64 0.00 114.93 125.18 1bha h MET 56 Ca 0.20 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1bha h MET 56 Cb 0.46 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1bha h MET 56 CO 0.02 0.96 0.06 -0.92 1.06 0.00 0.00 176.91 178.09 1bha h TYR 57 N 0.56 0.48 0.01 -0.22 3.20 -0.69 -1.11 116.97 119.21 1bha h TYR 57 Ca 0.05 -0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.65 1bha h TYR 57 Cb 0.93 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1bha h TYR 57 CO 0.04 0.44 -1.24 -0.07 -1.64 0.00 0.00 178.16 175.69 1bha h LEU 58 N 0.47 0.05 -0.09 2.82 3.38 -1.21 0.11 115.31 120.83 1bha h LEU 58 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bha h LEU 58 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bha h LEU 58 CO -0.00 1.05 0.00 -0.24 0.09 0.00 0.00 178.44 179.34 1bha n SER 59 N -3.28 0.12 -0.06 -0.43 2.88 -0.03 -2.24 113.62 110.58 1bha n SER 59 Ca -0.06 0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 57.87 1bha n SER 59 Cb 0.98 -0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.63 0.27 0.19 -1.46 0.00 -0.48 -1.74 117.12 112.26 1bha n MET 60 Ca 0.04 0.12 -0.13 0.00 -0.00 0.00 0.00 57.70 57.73 1bha n MET 60 Cb 0.22 -0.95 -0.07 0.00 0.00 0.00 0.00 33.22 32.43 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 -0.45 -1.03 -0.35 -0.89 5.85 -0.84 -2.85 115.31 114.76 1bha h LEU 61 Ca -0.31 0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.31 1bha h LEU 61 Cb 1.27 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1bha h LEU 61 CO -0.19 -0.46 -0.83 -0.07 -0.34 0.00 0.00 178.44 176.54 1bha h LEU 62 N -0.69 0.15 -2.99 2.25 3.38 -1.66 -3.41 115.31 112.35 1bha h LEU 62 Ca -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1bha h LEU 62 Cb 0.61 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1bha h LEU 62 CO -0.08 0.92 -0.01 0.61 0.09 0.00 0.00 178.44 179.97 1bha n GLY 63 N 0.80 -2.86 0.74 0.83 0.00 -1.08 -4.26 105.19 99.36 1bha n GLY 63 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.01 0.00 0.02 1.61 4.01 -0.71 -4.83 117.16 117.27 1bha n TYR 64 Ca -0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1bha n TYR 64 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.10 -0.69 0.22 2.72 0.00 -1.18 -4.92 105.19 101.44 1bha n GLY 65 Ca -0.01 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 0.99 3.38 -1.76 -2.46 115.31 115.46 1bha h LEU 66 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1bha h LEU 66 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bha h LEU 66 CO 0.00 0.19 -0.52 0.00 0.09 0.00 0.00 178.44 178.20 1bha h THR 67 N 0.00 0.03 0.20 0.22 1.03 -1.88 -3.32 112.91 109.19 1bha h THR 67 Ca -0.00 -1.05 -0.31 0.00 -0.01 0.00 0.00 66.41 65.03 1bha h THR 67 Cb 0.80 1.77 0.03 0.00 -1.07 0.00 0.00 68.15 69.68 1bha h THR 67 CO 0.02 0.02 -1.38 0.24 -0.01 0.00 0.00 175.52 174.42 1bha h MET 68 N 0.00 0.49 -6.09 0.00 2.86 -1.80 -3.46 114.93 106.93 1bha h MET 68 Ca -0.00 -0.80 -0.56 0.00 -2.06 0.00 0.00 59.70 56.28 1bha h MET 68 Cb 1.02 0.29 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 1bha h MET 68 CO 0.00 1.37 -0.41 0.14 1.06 0.00 0.00 176.91 179.08 1bha s VAL 69 N -2.70 5.28 -2.00 -2.22 -7.23 -1.01 -5.08 120.40 105.45 1bha s VAL 69 Ca -0.08 -0.44 0.24 0.00 -1.81 0.00 0.00 61.98 59.89 1bha s VAL 69 Cb 0.05 -3.70 0.68 0.00 0.56 0.00 0.00 36.38 33.97 1bha s VAL 69 CO 0.93 -0.06 1.80 -0.81 -0.31 0.00 0.00 175.10 176.65