#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 0.36 -5.72 0.00 4.20 -2.02 -3.44 115.11 108.49 1bha h GLN 3 Ca 0.00 -0.62 -0.58 0.00 0.06 0.00 0.00 58.65 57.51 1bha h GLN 3 Cb 0.00 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 1bha h GLN 3 CO 0.00 1.30 -0.16 0.42 -0.67 0.00 0.00 178.83 179.71 1bha s ILE 4 N -2.48 5.20 -0.03 2.54 -1.09 -1.26 -4.93 121.20 119.15 1bha s ILE 4 Ca -0.13 0.90 0.09 0.00 -2.23 0.00 0.00 60.65 59.28 1bha s ILE 4 Cb 0.02 -3.79 0.15 0.00 -1.58 0.00 0.00 42.46 37.26 1bha s ILE 4 CO 0.86 0.34 1.07 1.07 -1.23 0.00 0.00 174.94 177.05 1bha n THR 5 N 3.61 0.37 0.26 2.92 5.66 -1.26 -4.70 114.28 121.13 1bha n THR 5 Ca -0.08 -0.70 -0.11 0.00 -3.05 0.00 0.00 64.05 60.12 1bha n THR 5 Cb 0.52 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.71 1bha n THR 5 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bha h GLY 6 N 0.27 -0.74 -5.31 1.09 0.00 -2.01 -3.45 103.07 92.92 1bha h GLY 6 Ca -0.05 0.27 -0.65 0.00 0.00 0.00 0.00 47.33 46.91 1bha h GLY 6 CO 0.02 -0.27 -0.48 0.50 0.00 0.00 0.00 176.54 176.31 1bha s ARG 7 N -3.87 3.45 0.41 4.80 3.00 -1.26 -4.99 118.95 120.48 1bha s ARG 7 Ca -0.10 -0.25 0.22 0.00 0.00 0.00 0.00 55.73 55.60 1bha s ARG 7 Cb 0.01 -3.12 0.77 0.00 0.00 0.00 0.00 34.95 32.60 1bha s ARG 7 CO 0.31 0.71 1.76 -1.00 0.00 0.00 0.00 175.30 177.08 1bha h PRO 8 N 4.18 0.00 -0.27 3.54 0.13 -1.99 -2.92 132.00 134.67 1bha h PRO 8 Ca -0.51 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1bha h PRO 8 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bha h PRO 8 CO 0.66 0.29 -0.28 0.93 -0.23 0.00 0.00 178.00 179.37 1bha h GLU 9 N 0.00 0.55 -0.45 0.86 3.07 -1.98 0.13 114.58 116.76 1bha h GLU 9 Ca -0.00 -0.22 -0.12 0.00 -0.50 0.00 0.00 59.36 58.51 1bha h GLU 9 Cb 0.85 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1bha h GLU 9 CO 0.04 0.77 -0.21 2.35 -1.40 0.00 0.00 179.01 180.56 1bha h TRP 10 N 0.48 1.03 -0.37 4.33 7.01 -1.91 0.16 115.95 126.69 1bha h TRP 10 Ca 0.06 -0.24 -0.11 0.00 2.11 0.00 0.00 58.89 60.72 1bha h TRP 10 Cb 0.73 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1bha h TRP 10 CO 0.03 1.03 -0.21 0.82 -2.79 0.00 0.00 178.44 177.31 1bha h ILE 11 N 0.79 1.27 -0.27 2.65 1.08 -1.38 0.06 117.51 121.70 1bha h ILE 11 Ca 0.11 -1.30 -0.10 0.00 -0.39 0.00 0.00 64.86 63.18 1bha h ILE 11 Cb 0.76 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1bha h ILE 11 CO 0.06 0.43 -0.25 -0.25 -0.69 0.00 0.00 178.15 177.45 1bha h TRP 12 N 0.62 0.60 -0.13 1.37 2.91 -0.60 0.87 115.95 121.59 1bha h TRP 12 Ca 0.09 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 1bha h TRP 12 Cb 0.70 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 1bha h TRP 12 CO 0.03 0.74 -0.02 1.25 -1.03 0.00 0.00 178.44 179.41 1bha h LEU 13 N 0.47 0.24 -1.09 0.65 6.46 -0.38 0.43 115.31 122.10 1bha h LEU 13 Ca 0.07 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1bha h LEU 13 Cb 0.68 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1bha h LEU 13 CO 0.05 0.54 0.40 0.00 -0.62 0.00 0.00 178.44 178.81 1bha h ALA 14 N 0.71 1.30 -0.60 1.25 0.00 -0.76 0.32 119.26 121.48 1bha h ALA 14 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1bha h ALA 14 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bha h ALA 14 CO 0.01 0.57 0.11 1.25 0.00 0.00 0.00 179.25 181.19 1bha h LEU 15 N 1.05 0.94 -0.55 0.00 6.46 -0.62 -0.02 115.31 122.57 1bha h LEU 15 Ca 0.26 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1bha h LEU 15 Cb 0.04 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1bha h LEU 15 CO -0.04 0.95 0.16 1.23 -0.62 0.00 0.00 178.44 180.12 1bha h GLY 16 N 0.89 0.92 1.36 3.75 0.00 -0.05 0.11 103.07 110.06 1bha h GLY 16 Ca 0.18 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1bha h GLY 16 CO 0.01 0.52 -0.08 -0.84 0.00 0.00 0.00 176.54 176.15 1bha h THR 17 N 0.76 1.25 -0.32 4.70 2.02 -0.72 -0.15 112.91 120.45 1bha h THR 17 Ca 0.17 -1.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.10 1bha h THR 17 Cb 0.30 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1bha h THR 17 CO -0.00 0.38 -0.39 0.00 0.37 0.00 0.00 175.52 175.87 1bha h ALA 18 N 1.22 0.70 -0.41 6.16 0.00 -0.68 -0.24 119.26 126.00 1bha h ALA 18 Ca 0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1bha h ALA 18 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1bha h ALA 18 CO 0.03 0.66 0.06 1.25 0.00 0.00 0.00 179.25 181.26 1bha h LEU 19 N 0.63 0.66 -0.32 0.00 6.46 -0.41 0.53 115.31 122.87 1bha h LEU 19 Ca 0.05 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1bha h LEU 19 Cb 0.95 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1bha h LEU 19 CO 0.09 0.76 0.10 0.24 -0.62 0.00 0.00 178.44 179.00 1bha h MET 20 N 0.54 0.51 -0.46 1.25 2.86 -0.90 -1.22 114.93 117.51 1bha h MET 20 Ca 0.13 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1bha h MET 20 Cb 0.38 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1bha h MET 20 CO 0.01 0.55 0.10 0.78 1.06 0.00 0.00 176.91 179.41 1bha h GLY 21 N 0.37 0.74 0.77 8.32 0.00 -0.91 0.13 103.07 112.49 1bha h GLY 21 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1bha h GLY 21 CO -0.00 0.39 0.01 -2.00 0.00 0.00 0.00 176.54 174.93 1bha h LEU 22 N 0.67 0.08 -0.94 3.11 6.46 -0.60 0.46 115.31 124.54 1bha h LEU 22 Ca 0.15 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1bha h LEU 22 Cb 0.26 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1bha h LEU 22 CO -0.00 0.31 0.49 1.23 -0.62 0.00 0.00 178.44 179.85 1bha h GLY 23 N -0.16 1.32 1.59 3.75 0.00 -0.93 -1.84 103.07 106.80 1bha h GLY 23 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 1bha h GLY 23 CO 0.00 0.57 -0.20 -0.84 0.00 0.00 0.00 176.54 176.06 1bha h THR 24 N 1.24 1.25 0.34 4.70 2.02 -0.80 -0.50 112.91 121.17 1bha h THR 24 Ca 0.31 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 1bha h THR 24 Cb 0.02 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1bha h THR 24 CO -0.05 0.38 -0.16 0.25 0.37 0.00 0.00 175.52 176.30 1bha h LEU 25 N 0.44 -0.39 -1.27 2.58 5.85 -0.13 -0.41 115.31 121.97 1bha h LEU 25 Ca 0.07 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1bha h LEU 25 Cb 0.60 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1bha h LEU 25 CO 0.04 -0.18 0.29 1.88 -0.34 0.00 0.00 178.44 180.13 1bha h TYR 26 N -0.58 0.78 -0.53 1.25 0.05 -1.25 -1.06 116.97 115.64 1bha h TYR 26 Ca -0.05 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 1bha h TYR 26 Cb 0.42 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1bha h TYR 26 CO -0.02 0.56 0.12 0.35 -1.05 0.00 0.00 178.16 178.11 1bha h PHE 27 N 0.80 0.84 -0.27 4.88 3.57 -0.82 0.12 116.94 126.06 1bha h PHE 27 Ca 0.20 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.44 1bha h PHE 27 Cb 0.05 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1bha h PHE 27 CO 0.01 0.71 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.17 1bha h LEU 28 N 0.78 0.95 -0.82 0.59 3.38 -0.31 0.17 115.31 120.06 1bha h LEU 28 Ca 0.17 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1bha h LEU 28 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1bha h LEU 28 CO 0.00 1.32 0.16 0.58 0.09 0.00 0.00 178.44 180.59 1bha h VAL 29 N 0.63 1.25 -0.03 1.22 2.07 -0.81 -0.24 116.25 120.34 1bha h VAL 29 Ca 0.01 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 1bha h VAL 29 Cb 1.17 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1bha h VAL 29 CO 0.12 0.35 -0.71 0.11 0.02 0.00 0.00 177.57 177.47 1bha h LYS 30 N 0.99 0.18 -0.34 1.57 1.57 -0.66 0.11 116.57 119.99 1bha h LYS 30 Ca 0.21 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1bha h LYS 30 Cb 0.35 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1bha h LYS 30 CO 0.00 0.82 0.05 0.78 -0.57 0.00 0.00 179.45 180.53 1bha h GLY 31 N 1.70 0.61 1.87 3.86 0.00 -0.01 0.15 103.07 111.24 1bha h GLY 31 Ca -0.02 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 46.69 1bha h GLY 31 CO 0.11 0.38 -0.99 -0.33 0.00 0.00 0.00 176.54 175.70 1bha h MET 32 N 0.39 0.11 0.07 4.80 2.86 -1.04 -3.37 114.93 118.76 1bha h MET 32 Ca 0.10 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1bha h MET 32 Cb 0.36 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1bha h MET 32 CO 0.01 1.01 -0.04 0.78 1.06 0.00 0.00 176.91 179.73 1bha h GLY 33 N 2.33 -0.10 0.00 8.32 0.00 -0.67 -3.51 103.07 109.44 1bha h GLY 33 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1bha h GLY 33 CO 0.14 -0.04 0.00 1.55 0.00 0.00 0.00 176.54 178.20 1bha n VAL 34 N -2.49 0.00 0.00 4.60 3.14 0.51 -5.06 118.33 119.03 1bha n VAL 34 Ca -0.01 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.24 1bha n VAL 34 Cb 0.04 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.68 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 0.09 -0.08 1.45 0.13 -2.05 -3.52 132.00 128.02 1bha h PRO 37 Ca 0.00 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.83 1bha h PRO 37 Cb 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 1bha h PRO 37 CO 0.00 0.77 -0.55 0.22 -0.23 0.00 0.00 178.00 178.21 1bha h ASP 38 N 0.03 0.28 -0.24 1.44 3.58 -2.05 0.08 116.42 119.55 1bha h ASP 38 Ca -0.29 -0.15 -0.20 0.00 0.42 0.00 0.00 57.03 56.81 1bha h ASP 38 Cb 2.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.98 1bha h ASP 38 CO 0.10 0.78 -0.62 0.00 -2.88 0.00 0.00 179.24 176.61 1bha h ALA 39 N 1.23 0.39 -0.30 -0.78 0.00 -2.05 -0.60 119.26 117.16 1bha h ALA 39 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1bha h ALA 39 Cb 1.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bha h ALA 39 CO 0.09 0.66 -0.30 0.87 0.00 0.00 0.00 179.25 180.56 1bha h LYS 40 N 0.60 0.64 0.03 0.00 1.79 -1.95 -0.48 116.57 117.19 1bha h LYS 40 Ca -0.01 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1bha h LYS 40 Cb 1.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1bha h LYS 40 CO 0.13 0.86 -0.01 -0.22 -1.08 0.00 0.00 179.45 179.13 1bha h LYS 41 N 0.54 -0.04 -0.72 3.15 3.64 -0.87 -0.53 116.57 121.74 1bha h LYS 41 Ca 0.07 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1bha h LYS 41 Cb 0.79 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1bha h LYS 41 CO 0.06 0.26 0.45 0.35 -2.27 0.00 0.00 179.45 178.31 1bha h PHE 42 N -0.34 0.85 -0.83 1.91 3.57 -1.01 -1.26 116.94 119.82 1bha h PHE 42 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1bha h PHE 42 Cb 0.32 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1bha h PHE 42 CO 0.03 0.49 0.37 -0.92 -2.23 0.00 0.00 178.31 176.04 1bha h TYR 43 N 0.88 1.23 -0.40 0.41 3.20 -0.99 0.05 116.97 121.36 1bha h TYR 43 Ca 0.29 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1bha h TYR 43 Cb 0.01 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 1bha h TYR 43 CO -0.04 0.90 0.24 0.00 -1.64 0.00 0.00 178.16 177.62 1bha h ALA 44 N 1.20 0.51 -0.78 1.82 0.00 -0.39 0.20 119.26 121.81 1bha h ALA 44 Ca 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bha h ALA 44 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1bha h ALA 44 CO -0.03 0.01 0.32 0.82 0.00 0.00 0.00 179.25 180.37 1bha h ILE 45 N 0.52 1.26 0.00 0.00 5.03 -0.86 0.28 117.51 123.74 1bha h ILE 45 Ca 0.14 -0.79 -0.05 0.00 -0.12 0.00 0.00 64.86 64.05 1bha h ILE 45 Cb 0.01 0.31 -0.01 0.00 -3.03 0.00 0.00 36.82 34.10 1bha h ILE 45 CO -0.03 0.32 -0.22 0.74 -0.68 0.00 0.00 178.15 178.28 1bha h THR 46 N 1.13 0.72 -0.00 -0.27 2.02 -0.31 -0.56 112.91 115.64 1bha h THR 46 Ca 0.26 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1bha h THR 46 Cb 0.19 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1bha h THR 46 CO -0.02 0.22 -0.57 0.41 0.37 0.00 0.00 175.52 175.92 1bha n THR 47 N -3.63 0.00 0.89 3.16 -1.04 0.64 -3.69 114.28 110.61 1bha n THR 47 Ca -0.01 -0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.06 1bha n THR 47 Cb 0.35 0.51 -0.05 0.00 -1.82 0.00 0.00 70.33 69.32 1bha n THR 47 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bha n LEU 48 N -1.27 1.42 0.02 -4.42 7.94 0.87 -4.15 117.00 117.42 1bha n LEU 48 Ca 0.07 -0.64 -0.13 0.00 -1.11 0.00 0.00 56.01 54.20 1bha n LEU 48 Cb 0.34 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.21 1bha n LEU 48 CO 0.35 0.29 0.74 0.58 -1.11 0.00 0.00 177.39 178.24 1bha h VAL 49 N 1.19 1.18 0.00 1.96 2.07 -1.21 -1.71 116.25 119.73 1bha h VAL 49 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1bha h VAL 49 Cb 0.57 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1bha h VAL 49 CO 0.00 0.15 0.00 -0.81 0.02 0.00 0.00 177.57 176.93 1bha n PRO 50 N -4.98 0.22 -0.02 1.57 -0.04 -1.10 -1.74 135.00 128.92 1bha n PRO 50 Ca -0.08 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1bha n PRO 50 Cb 0.15 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 1bha n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bha h ALA 51 N 2.40 -0.04 -0.02 0.55 0.00 -1.01 -0.91 119.26 120.24 1bha h ALA 51 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1bha h ALA 51 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1bha h ALA 51 CO 0.00 -0.19 -0.58 -0.84 0.00 0.00 0.00 179.25 177.65 1bha h ILE 52 N -0.72 1.40 -0.28 0.00 3.07 -1.29 -1.23 117.51 118.47 1bha h ILE 52 Ca -0.00 -1.96 -0.04 0.00 1.55 0.00 0.00 64.86 64.41 1bha h ILE 52 Cb 0.64 2.04 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 1bha h ILE 52 CO 0.01 0.57 0.03 0.00 -1.05 0.00 0.00 178.15 177.70 1bha h ALA 53 N 1.37 0.38 -0.38 0.16 0.00 -1.36 -0.77 119.26 118.65 1bha h ALA 53 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1bha h ALA 53 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bha h ALA 53 CO 0.08 0.08 -0.24 0.35 0.00 0.00 0.00 179.25 179.52 1bha h PHE 54 N 0.28 0.88 -0.53 0.00 3.57 -1.03 -0.63 116.94 119.48 1bha h PHE 54 Ca 0.08 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1bha h PHE 54 Cb 0.37 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1bha h PHE 54 CO 0.03 0.94 0.25 1.15 -2.23 0.00 0.00 178.31 178.44 1bha h THR 55 N 0.67 1.20 -0.38 4.41 2.02 -1.05 0.92 112.91 120.71 1bha h THR 55 Ca 0.09 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1bha h THR 55 Cb 0.76 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1bha h THR 55 CO 0.06 0.23 -0.28 0.24 0.37 0.00 0.00 175.52 176.15 1bha h MET 56 N 0.72 0.85 -0.18 6.66 2.86 -1.00 0.84 114.93 125.69 1bha h MET 56 Ca 0.18 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1bha h MET 56 Cb 0.14 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1bha h MET 56 CO -0.02 1.06 -0.15 -0.92 1.06 0.00 0.00 176.91 177.93 1bha h TYR 57 N 0.66 0.31 0.12 -0.22 3.20 -0.87 -1.03 116.97 119.13 1bha h TYR 57 Ca 0.07 -0.04 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 1bha h TYR 57 Cb 0.85 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.05 1bha h TYR 57 CO 0.06 0.44 -1.22 1.25 -1.64 0.00 0.00 178.16 177.06 1bha h LEU 58 N 0.27 0.46 0.00 2.82 5.85 -0.66 0.20 115.31 124.25 1bha h LEU 58 Ca 0.05 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1bha h LEU 58 Cb 0.44 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1bha h LEU 58 CO 0.03 1.36 0.00 -0.24 -0.34 0.00 0.00 178.44 179.24 1bha n SER 59 N -3.57 0.00 -0.08 1.25 2.88 0.28 -2.43 113.62 111.95 1bha n SER 59 Ca -0.09 0.40 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1bha n SER 59 Cb 1.00 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.46 0.38 0.23 -1.46 0.00 -0.43 -0.94 117.12 113.44 1bha n MET 60 Ca 0.06 0.10 -0.10 0.00 -0.00 0.00 0.00 57.70 57.76 1bha n MET 60 Cb 0.21 -1.28 -0.05 0.00 0.00 0.00 0.00 33.22 32.11 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 -0.07 -0.55 -0.38 -0.89 5.85 -0.58 -3.19 115.31 115.49 1bha h LEU 61 Ca -0.35 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.21 1bha h LEU 61 Cb 1.51 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1bha h LEU 61 CO -0.08 -0.37 -0.78 -0.07 -0.34 0.00 0.00 178.44 176.79 1bha h LEU 62 N -0.61 0.37 -1.78 2.25 3.38 -1.72 -3.49 115.31 113.71 1bha h LEU 62 Ca -0.06 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1bha h LEU 62 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bha h LEU 62 CO 0.09 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1bha n GLY 63 N 0.66 -1.74 0.47 0.83 0.00 -1.21 -5.05 105.19 99.16 1bha n GLY 63 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.10 0.00 0.00 1.61 4.01 -0.12 -4.75 117.16 118.02 1bha n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bha n TYR 64 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.00 -0.43 0.22 2.72 0.00 -1.16 -4.90 105.19 101.64 1bha n GLY 65 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.75 0.08 0.99 -0.00 -1.77 -3.23 115.31 112.14 1bha h LEU 66 Ca 0.00 -0.37 -0.17 0.00 -0.00 0.00 0.00 57.88 57.34 1bha h LEU 66 Cb 0.00 -0.20 0.02 0.00 -0.00 0.00 0.00 40.66 40.47 1bha h LEU 66 CO 0.00 0.94 -0.71 0.74 -0.00 0.00 0.00 178.44 179.42 1bha h THR 67 N 0.54 1.49 -3.21 0.22 2.02 -1.84 -3.39 112.91 108.75 1bha h THR 67 Ca 0.09 -2.35 -0.77 0.00 0.77 0.00 0.00 66.41 64.15 1bha h THR 67 Cb 0.63 2.98 -0.24 0.00 -1.74 0.00 0.00 68.15 69.78 1bha h THR 67 CO 0.04 0.67 0.57 -0.04 0.37 0.00 0.00 175.52 177.13 1bha s MET 68 N -2.72 3.90 0.36 6.66 -1.94 -1.22 -5.03 119.30 119.31 1bha s MET 68 Ca -0.14 -2.64 -0.12 0.00 -1.71 0.00 0.00 55.69 51.08 1bha s MET 68 Cb 0.02 -4.67 -0.07 0.00 2.01 0.00 0.00 34.83 32.11 1bha s MET 68 CO 0.82 -1.44 0.74 0.14 -0.01 0.00 0.00 175.02 175.28 1bha s VAL 69 N 0.32 4.75 -2.00 -6.03 -7.23 -1.22 -4.24 120.40 104.75 1bha s VAL 69 Ca 0.29 0.74 0.24 0.00 -1.81 0.00 0.00 61.98 61.44 1bha s VAL 69 Cb -0.08 -3.68 0.68 0.00 0.56 0.00 0.00 36.38 33.87 1bha s VAL 69 CO -0.07 -0.36 1.80 -0.81 -0.31 0.00 0.00 175.10 175.35