#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 -0.15 -3.51 0.00 1.08 -2.01 -3.37 115.11 107.15 1bha h GLN 3 Ca 0.00 0.01 -0.79 0.00 -1.45 0.00 0.00 58.65 56.42 1bha h GLN 3 Cb 0.00 0.03 -0.26 0.00 -0.05 0.00 0.00 27.48 27.20 1bha h GLN 3 CO 0.00 0.31 0.75 -0.89 -0.95 0.00 0.00 178.83 178.05 1bha n ILE 4 N -4.86 4.75 0.28 2.54 2.08 -1.26 -4.75 119.36 118.13 1bha n ILE 4 Ca -0.07 -5.41 0.14 0.00 0.56 0.00 0.00 62.75 57.96 1bha n ILE 4 Cb 0.27 -2.42 0.34 0.00 -0.75 0.00 0.00 39.64 37.08 1bha n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bha h THR 5 N 3.70 0.00 -0.07 1.39 1.03 -2.01 -3.27 112.91 113.68 1bha h THR 5 Ca 0.21 -0.79 0.03 0.00 -0.01 0.00 0.00 66.41 65.85 1bha h THR 5 Cb 0.78 1.78 -0.04 0.00 -1.07 0.00 0.00 68.15 69.61 1bha h THR 5 CO 1.17 0.00 -0.15 1.23 -0.01 0.00 0.00 175.52 177.76 1bha h GLY 6 N 3.46 -0.14 -7.27 2.99 0.00 -1.95 -3.39 103.07 96.77 1bha h GLY 6 Ca 0.00 0.18 -0.62 0.00 0.00 0.00 0.00 47.33 46.89 1bha h GLY 6 CO 0.00 -0.15 -0.40 0.50 0.00 0.00 0.00 176.54 176.49 1bha s ARG 7 N -6.14 4.04 0.48 4.80 3.00 -1.23 -4.95 118.95 118.95 1bha s ARG 7 Ca -0.14 -0.14 0.30 0.00 0.00 0.00 0.00 55.73 55.75 1bha s ARG 7 Cb 0.09 -3.60 1.16 0.00 0.00 0.00 0.00 34.95 32.60 1bha s ARG 7 CO 0.67 -0.11 1.89 -1.00 0.00 0.00 0.00 175.30 176.75 1bha h PRO 8 N 7.91 0.00 -0.35 3.54 0.13 -1.84 -2.87 132.00 138.52 1bha h PRO 8 Ca -0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 1bha h PRO 8 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bha h PRO 8 CO 0.63 0.00 -0.34 1.49 -0.23 0.00 0.00 178.00 179.55 1bha h GLU 9 N 0.00 0.78 -0.23 0.86 4.81 -1.92 0.52 114.58 119.40 1bha h GLU 9 Ca 0.00 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.73 1bha h GLU 9 Cb 0.56 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1bha h GLU 9 CO 0.00 1.00 -0.38 2.35 -0.73 0.00 0.00 179.01 181.26 1bha h TRP 10 N 0.66 0.60 -0.28 0.92 7.01 -1.80 -0.16 115.95 122.90 1bha h TRP 10 Ca 0.07 -0.16 -0.14 0.00 2.11 0.00 0.00 58.89 60.77 1bha h TRP 10 Cb 0.88 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1bha h TRP 10 CO 0.05 0.82 -0.38 0.82 -2.79 0.00 0.00 178.44 176.95 1bha h ILE 11 N 0.43 1.29 -0.26 2.65 1.08 -1.41 0.13 117.51 121.42 1bha h ILE 11 Ca 0.04 -1.55 -0.11 0.00 -0.39 0.00 0.00 64.86 62.85 1bha h ILE 11 Cb 0.85 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1bha h ILE 11 CO 0.07 0.50 -0.31 -0.25 -0.69 0.00 0.00 178.15 177.47 1bha h TRP 12 N 0.55 0.61 -0.15 1.37 2.91 -0.52 0.77 115.95 121.48 1bha h TRP 12 Ca 0.05 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 1bha h TRP 12 Cb 0.91 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1bha h TRP 12 CO 0.04 0.78 -0.04 1.25 -1.03 0.00 0.00 178.44 179.45 1bha h LEU 13 N 0.46 0.29 -1.06 0.65 6.46 -0.63 0.59 115.31 122.07 1bha h LEU 13 Ca 0.06 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1bha h LEU 13 Cb 0.77 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1bha h LEU 13 CO 0.06 0.60 0.35 0.00 -0.62 0.00 0.00 178.44 178.83 1bha h ALA 14 N 0.70 1.27 -0.58 1.25 0.00 -0.78 0.36 119.26 121.47 1bha h ALA 14 Ca 0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1bha h ALA 14 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1bha h ALA 14 CO 0.02 0.57 0.06 1.25 0.00 0.00 0.00 179.25 181.14 1bha h LEU 15 N 1.01 0.96 -0.67 0.00 6.46 -0.64 0.10 115.31 122.53 1bha h LEU 15 Ca 0.25 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.67 1bha h LEU 15 Cb 0.09 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1bha h LEU 15 CO -0.03 1.00 0.17 1.23 -0.62 0.00 0.00 178.44 180.18 1bha h GLY 16 N 0.89 1.14 1.37 3.75 0.00 -0.07 0.12 103.07 110.27 1bha h GLY 16 Ca 0.17 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1bha h GLY 16 CO 0.02 0.66 -0.25 -0.84 0.00 0.00 0.00 176.54 176.13 1bha h THR 17 N 0.99 1.27 -0.21 4.70 2.02 -0.70 -0.50 112.91 120.47 1bha h THR 17 Ca 0.21 -1.36 -0.14 0.00 0.77 0.00 0.00 66.41 65.89 1bha h THR 17 Cb 0.36 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1bha h THR 17 CO 0.00 0.45 -0.46 0.00 0.37 0.00 0.00 175.52 175.88 1bha h ALA 18 N 1.09 0.80 -0.21 6.16 0.00 -0.65 0.19 119.26 126.65 1bha h ALA 18 Ca 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1bha h ALA 18 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1bha h ALA 18 CO 0.06 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.20 1bha h LEU 19 N 0.44 0.38 -0.74 0.00 6.46 -0.46 0.47 115.31 121.85 1bha h LEU 19 Ca 0.03 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 1bha h LEU 19 Cb 0.98 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 1bha h LEU 19 CO 0.09 0.62 0.13 0.24 -0.62 0.00 0.00 178.44 178.90 1bha h MET 20 N 0.13 1.09 -0.52 1.25 2.86 -1.00 -0.68 114.93 118.07 1bha h MET 20 Ca 0.06 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 1bha h MET 20 Cb 0.44 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1bha h MET 20 CO 0.01 0.98 -0.09 0.78 1.06 0.00 0.00 176.91 179.66 1bha h GLY 21 N 1.06 1.04 0.84 8.32 0.00 -0.83 0.07 103.07 113.57 1bha h GLY 21 Ca 0.21 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1bha h GLY 21 CO 0.01 0.74 0.00 -2.00 0.00 0.00 0.00 176.54 175.29 1bha h LEU 22 N 0.86 0.40 -0.94 3.11 5.85 -0.63 -0.11 115.31 123.85 1bha h LEU 22 Ca 0.14 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1bha h LEU 22 Cb 0.63 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1bha h LEU 22 CO 0.04 0.61 0.36 1.23 -0.34 0.00 0.00 178.44 180.35 1bha h GLY 23 N 0.18 1.21 1.56 3.75 0.00 -0.99 -1.83 103.07 106.95 1bha h GLY 23 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1bha h GLY 23 CO 0.01 0.57 -0.29 -0.84 0.00 0.00 0.00 176.54 175.99 1bha h THR 24 N 1.12 1.28 -0.04 4.70 2.02 -0.80 -1.33 112.91 119.85 1bha h THR 24 Ca 0.27 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1bha h THR 24 Cb 0.13 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1bha h THR 24 CO -0.03 0.43 0.02 0.25 0.37 0.00 0.00 175.52 176.56 1bha h LEU 25 N 0.43 0.05 -1.10 2.58 6.46 -0.38 -0.39 115.31 122.97 1bha h LEU 25 Ca 0.06 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1bha h LEU 25 Cb 0.73 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1bha h LEU 25 CO 0.06 0.17 0.24 1.88 -0.62 0.00 0.00 178.44 180.17 1bha h TYR 26 N -0.06 0.89 -0.34 1.25 0.05 -1.22 -0.70 116.97 116.83 1bha h TYR 26 Ca 0.01 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1bha h TYR 26 Cb 0.13 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1bha h TYR 26 CO -0.03 0.68 -0.09 0.35 -1.05 0.00 0.00 178.16 178.03 1bha h PHE 27 N 0.87 0.61 -0.20 4.88 3.57 -0.91 0.80 116.94 126.56 1bha h PHE 27 Ca 0.21 -0.09 -0.21 0.00 3.53 0.00 0.00 57.97 61.41 1bha h PHE 27 Cb 0.17 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1bha h PHE 27 CO 0.01 0.64 -0.69 -0.07 -2.23 0.00 0.00 178.31 175.97 1bha h LEU 28 N 0.53 0.95 -0.60 0.59 3.38 -0.42 0.20 115.31 119.93 1bha h LEU 28 Ca 0.10 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1bha h LEU 28 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1bha h LEU 28 CO 0.03 1.39 0.15 0.58 0.09 0.00 0.00 178.44 180.67 1bha h VAL 29 N 0.57 1.25 -0.01 1.22 2.07 -0.81 0.19 116.25 120.73 1bha h VAL 29 Ca -0.03 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1bha h VAL 29 Cb 1.32 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1bha h VAL 29 CO 0.15 0.34 -0.64 0.11 0.02 0.00 0.00 177.57 177.54 1bha h LYS 30 N 0.88 0.05 -0.27 1.57 1.57 -0.80 0.31 116.57 119.89 1bha h LYS 30 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1bha h LYS 30 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1bha h LYS 30 CO 0.00 0.67 -0.03 0.78 -0.57 0.00 0.00 179.45 180.31 1bha h GLY 31 N 1.84 0.52 2.00 3.86 0.00 -0.00 0.70 103.07 111.99 1bha h GLY 31 Ca -0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 1bha h GLY 31 CO 0.09 0.37 -0.81 -0.33 0.00 0.00 0.00 176.54 175.86 1bha h MET 32 N 0.25 0.00 -0.26 4.80 2.86 -0.94 -3.23 114.93 118.41 1bha h MET 32 Ca 0.07 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 1bha h MET 32 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1bha h MET 32 CO 0.02 0.81 -0.57 0.78 1.06 0.00 0.00 176.91 179.00 1bha h GLY 33 N 2.59 0.91 0.00 8.32 0.00 -0.83 -3.51 103.07 110.55 1bha h GLY 33 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1bha h GLY 33 CO 0.10 0.97 0.00 1.55 0.00 0.00 0.00 176.54 179.17 1bha n VAL 34 N -3.99 0.00 0.06 4.60 3.14 0.23 -5.06 118.33 117.31 1bha n VAL 34 Ca -0.04 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.13 1bha n VAL 34 Cb 0.64 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.29 1bha n VAL 34 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1bha h PRO 37 N 0.00 0.51 0.00 1.45 0.13 -2.07 -3.52 132.00 128.50 1bha h PRO 37 Ca 0.00 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1bha h PRO 37 Cb 0.00 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1bha h PRO 37 CO 0.00 1.29 -0.23 0.22 -0.23 0.00 0.00 178.00 179.05 1bha h ASP 38 N 0.06 0.00 0.41 1.44 3.58 -2.05 -3.18 116.42 116.68 1bha h ASP 38 Ca -0.15 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 1bha h ASP 38 Cb 1.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1bha h ASP 38 CO 0.19 0.04 -0.26 0.00 -2.88 0.00 0.00 179.24 176.33 1bha h ALA 39 N 2.48 1.35 -0.36 -0.78 0.00 -2.05 -0.49 119.26 119.41 1bha h ALA 39 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1bha h ALA 39 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1bha h ALA 39 CO 0.00 0.33 -0.28 0.87 0.00 0.00 0.00 179.25 180.17 1bha h LYS 40 N 0.00 0.83 -0.28 0.00 1.57 -1.98 -0.26 116.57 116.45 1bha h LYS 40 Ca -0.00 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.29 1bha h LYS 40 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1bha h LYS 40 CO 0.03 1.04 -0.15 0.87 -0.57 0.00 0.00 179.45 180.67 1bha h LYS 41 N 0.62 0.59 -0.83 3.15 1.57 -1.57 -0.51 116.57 119.59 1bha h LYS 41 Ca 0.07 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1bha h LYS 41 Cb 0.85 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1bha h LYS 41 CO 0.07 0.84 0.55 0.35 -0.57 0.00 0.00 179.45 180.70 1bha h PHE 42 N 0.33 1.04 -0.46 -1.35 3.57 -1.03 0.07 116.94 119.11 1bha h PHE 42 Ca 0.06 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 1bha h PHE 42 Cb 0.68 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1bha h PHE 42 CO 0.06 0.66 -0.25 -0.92 -2.23 0.00 0.00 178.31 175.63 1bha h TYR 43 N 1.13 1.14 -0.46 0.41 3.20 -0.94 -0.37 116.97 121.08 1bha h TYR 43 Ca 0.31 -0.29 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1bha h TYR 43 Cb -0.13 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.86 1bha h TYR 43 CO -0.01 1.12 0.25 0.00 -1.64 0.00 0.00 178.16 177.87 1bha h ALA 44 N 0.84 0.59 -0.56 1.82 0.00 -0.61 0.06 119.26 121.41 1bha h ALA 44 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1bha h ALA 44 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1bha h ALA 44 CO 0.07 0.11 0.14 0.82 0.00 0.00 0.00 179.25 180.40 1bha h ILE 45 N 0.60 1.24 0.00 0.00 1.08 -0.88 0.14 117.51 119.70 1bha h ILE 45 Ca 0.16 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1bha h ILE 45 Cb 0.06 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1bha h ILE 45 CO -0.03 0.32 -0.04 0.74 -0.69 0.00 0.00 178.15 178.45 1bha h THR 46 N 0.79 1.02 0.00 -0.27 2.02 -0.57 0.14 112.91 116.03 1bha h THR 46 Ca 0.18 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1bha h THR 46 Cb 0.33 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1bha h THR 46 CO 0.00 0.04 -0.74 0.74 0.37 0.00 0.00 175.52 175.93 1bha h THR 47 N 0.00 0.22 -0.52 3.16 2.02 -0.24 -3.24 112.91 114.31 1bha h THR 47 Ca -0.00 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1bha h THR 47 Cb 0.07 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1bha h THR 47 CO 0.01 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.20 1bha n LEU 48 N -2.91 5.19 0.00 2.58 4.32 0.43 -4.31 117.00 122.30 1bha n LEU 48 Ca -0.00 -2.87 -0.11 0.00 -0.02 0.00 0.00 56.01 53.00 1bha n LEU 48 Cb 0.63 -0.64 -0.06 0.00 -1.62 0.00 0.00 43.42 41.73 1bha n LEU 48 CO 0.39 0.67 0.90 0.58 -1.22 0.00 0.00 177.39 178.70 1bha h VAL 49 N 3.53 1.03 0.00 4.08 2.07 -0.85 0.15 116.25 126.27 1bha h VAL 49 Ca 0.00 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1bha h VAL 49 Cb 1.78 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1bha h VAL 49 CO 0.39 0.03 -0.32 1.55 0.02 0.00 0.00 177.57 179.24 1bha h PRO 50 N 0.10 0.00 -0.31 1.57 0.13 0.32 -1.65 132.00 132.15 1bha h PRO 50 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.03 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 0.32 -0.31 0.00 -0.23 0.00 0.00 178.00 177.78 1bha h ALA 51 N 1.68 0.45 -0.17 -0.56 0.00 2.07 -0.24 119.26 122.48 1bha h ALA 51 Ca -0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 1bha h ALA 51 Cb 0.99 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bha h ALA 51 CO 0.04 0.48 -0.73 0.82 0.00 0.00 0.00 179.25 179.87 1bha h ILE 52 N 0.51 1.29 -0.91 0.00 2.04 -0.65 -1.74 117.51 118.05 1bha h ILE 52 Ca 0.05 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 1bha h ILE 52 Cb 0.88 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1bha h ILE 52 CO 0.08 0.61 0.56 0.00 0.00 0.00 0.00 178.15 179.40 1bha h ALA 53 N 0.63 1.15 -0.42 1.87 0.00 -1.23 0.06 119.26 121.32 1bha h ALA 53 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1bha h ALA 53 Cb 1.34 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bha h ALA 53 CO 0.15 0.59 -0.14 0.35 0.00 0.00 0.00 179.25 180.20 1bha h PHE 54 N 1.24 0.96 -0.88 0.00 3.57 -0.95 -0.91 116.94 119.97 1bha h PHE 54 Ca 0.33 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1bha h PHE 54 Cb -0.08 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 1bha h PHE 54 CO -0.00 0.98 0.47 1.15 -2.23 0.00 0.00 178.31 178.67 1bha h THR 55 N 0.67 1.26 -0.38 4.41 2.02 -0.77 0.27 112.91 120.38 1bha h THR 55 Ca 0.10 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 1bha h THR 55 Cb 0.69 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1bha h THR 55 CO 0.05 0.29 -0.36 0.24 0.37 0.00 0.00 175.52 176.11 1bha h MET 56 N 1.24 0.88 0.00 6.66 2.86 -0.84 0.24 114.93 125.97 1bha h MET 56 Ca 0.31 -0.45 -0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1bha h MET 56 Cb 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1bha h MET 56 CO -0.05 1.09 -0.50 -0.92 1.06 0.00 0.00 176.91 177.59 1bha h TYR 57 N 0.73 0.00 0.12 -0.22 3.20 -0.71 -2.71 116.97 117.38 1bha h TYR 57 Ca 0.07 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.67 1bha h TYR 57 Cb 0.94 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.23 1bha h TYR 57 CO 0.06 0.50 -1.13 1.25 -1.64 0.00 0.00 178.16 177.20 1bha h LEU 58 N 0.00 0.78 -2.34 2.82 5.85 -0.31 0.15 115.31 122.25 1bha h LEU 58 Ca -0.01 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.86 1bha h LEU 58 Cb 0.99 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1bha h LEU 58 CO 0.07 1.55 -0.02 0.77 -0.34 0.00 0.00 178.44 180.46 1bha h SER 59 N 0.11 0.00 0.06 1.25 4.64 -0.86 0.10 113.55 118.85 1bha h SER 59 Ca -0.18 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.80 1bha h SER 59 Cb 1.83 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.88 1bha h SER 59 CO 0.22 0.02 -1.94 0.80 -0.87 0.00 0.00 176.83 175.05 1bha n MET 60 N -3.89 0.67 0.45 4.77 0.00 -1.03 -1.99 117.12 116.10 1bha n MET 60 Ca -0.03 0.33 -0.20 0.00 -0.00 0.00 0.00 57.70 57.80 1bha n MET 60 Cb 0.11 -1.67 -0.10 0.00 0.00 0.00 0.00 33.22 31.56 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 -0.34 -1.21 -0.70 -0.89 5.85 -0.34 -2.89 115.31 114.78 1bha h LEU 61 Ca -0.46 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.19 1bha h LEU 61 Cb 1.77 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 1bha h LEU 61 CO -0.08 -0.76 -0.50 -0.07 -0.34 0.00 0.00 178.44 176.70 1bha h LEU 62 N -1.22 0.41 -1.30 2.25 4.07 -1.03 -3.48 115.31 115.02 1bha h LEU 62 Ca -0.11 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 57.53 1bha h LEU 62 Cb 0.97 -0.12 0.05 0.00 1.08 0.00 0.00 40.66 42.64 1bha h LEU 62 CO 0.13 0.84 -0.22 0.61 -1.08 0.00 0.00 178.44 178.72 1bha n GLY 63 N 0.09 0.38 0.00 0.83 0.00 -0.89 -4.96 105.19 100.64 1bha n GLY 63 Ca -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1bha n GLY 63 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bha n TYR 64 N -2.80 0.00 -0.36 1.61 0.18 -1.04 -3.75 117.16 111.00 1bha n TYR 64 Ca -0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1bha n TYR 64 Cb 0.53 -0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 1bha n TYR 64 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bha n GLY 65 N 1.70 0.14 1.15 -7.48 0.00 -1.15 -4.51 105.19 95.05 1bha n GLY 65 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bha n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bha n LEU 66 N -0.16 0.93 -0.22 0.99 -0.00 -0.84 -4.36 117.00 113.33 1bha n LEU 66 Ca 0.00 0.17 -0.08 0.00 -0.00 0.00 0.00 56.01 56.10 1bha n LEU 66 Cb 0.22 -0.24 0.03 0.00 -0.00 0.00 0.00 43.42 43.43 1bha n LEU 66 CO 0.00 -0.73 0.89 0.74 -0.00 0.00 0.00 177.39 178.29 1bha h THR 67 N 0.00 1.26 0.09 1.96 2.02 -1.74 -3.20 112.91 113.30 1bha h THR 67 Ca 0.00 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1bha h THR 67 Cb 0.04 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1bha h THR 67 CO 0.00 0.38 -0.04 0.24 0.37 0.00 0.00 175.52 176.47 1bha h MET 68 N 0.96 -0.11 -4.59 6.66 2.86 -1.79 -3.47 114.93 115.45 1bha h MET 68 Ca 0.19 0.01 -0.26 0.00 -2.06 0.00 0.00 59.70 57.58 1bha h MET 68 Cb 0.44 0.03 -0.19 0.00 0.06 0.00 0.00 31.60 31.93 1bha h MET 68 CO 0.01 0.38 -0.72 0.14 1.06 0.00 0.00 176.91 177.78 1bha s VAL 69 N -3.89 0.58 -2.00 -2.22 -7.23 -1.21 -5.05 120.40 99.38 1bha s VAL 69 Ca -0.15 -1.36 0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1bha s VAL 69 Cb 0.01 -0.96 0.69 0.00 0.56 0.00 0.00 36.38 36.68 1bha s VAL 69 CO 0.60 -0.54 1.81 -0.81 -0.31 0.00 0.00 175.10 175.84