#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhb n GLN 3 N 0.00 0.11 -0.08 0.00 -0.06 -1.26 -1.22 117.38 114.88 1bhb n GLN 3 Ca 0.00 0.37 0.09 0.00 -2.00 0.00 0.00 57.00 55.46 1bhb n GLN 3 Cb 0.00 -1.71 0.35 0.00 -4.06 0.00 0.00 30.24 24.82 1bhb n GLN 3 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1bhb n ILE 4 N -1.92 0.20 -3.21 1.69 -0.00 -1.26 -4.95 119.36 109.91 1bhb n ILE 4 Ca 0.02 -0.28 -0.18 0.00 -0.00 0.00 0.00 62.75 62.32 1bhb n ILE 4 Cb 0.19 0.20 0.02 0.00 -0.00 0.00 0.00 39.64 40.04 1bhb n ILE 4 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1bhb n THR 5 N 0.09 -7.85 0.23 7.28 -1.04 -0.35 -4.86 114.28 107.78 1bhb n THR 5 Ca 0.14 0.33 0.09 0.00 -2.04 0.00 0.00 64.05 62.57 1bhb n THR 5 Cb 0.26 -5.58 0.54 0.00 -1.82 0.00 0.00 70.33 63.72 1bhb n THR 5 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bhb h GLY 6 N 1.42 0.00 -3.97 3.41 0.00 -1.93 -3.45 103.07 98.55 1bhb h GLY 6 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1bhb h GLY 6 CO 0.25 0.00 -0.13 1.09 0.00 0.00 0.00 176.54 177.75 1bhb s ARG 7 N -4.00 0.86 -1.22 4.80 1.70 -1.26 -5.08 118.95 114.75 1bhb s ARG 7 Ca -0.02 -0.27 -0.20 0.00 -0.47 0.00 0.00 55.73 54.78 1bhb s ARG 7 Cb 0.12 0.39 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 1bhb s ARG 7 CO 0.64 -0.28 1.75 -1.25 -1.08 0.00 0.00 175.30 175.08 1bhb s PRO 8 N -2.06 3.53 0.50 3.89 0.04 -1.26 -4.72 135.00 134.93 1bhb s PRO 8 Ca -0.08 -1.61 0.33 0.00 0.04 0.00 0.00 61.00 59.67 1bhb s PRO 8 Cb -0.02 -5.43 1.41 0.00 0.04 0.00 0.00 34.50 30.50 1bhb s PRO 8 CO 0.01 -2.69 1.97 1.05 0.04 0.00 0.00 177.00 177.37 1bhb h GLU 9 N 8.53 0.00 -0.29 4.56 -0.00 -1.98 -1.51 114.58 123.90 1bhb h GLU 9 Ca 0.35 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.55 1bhb h GLU 9 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.66 1bhb h GLU 9 CO 1.39 0.00 -0.43 2.35 -0.00 0.00 0.00 179.01 182.33 1bhb h TRP 10 N 0.00 0.99 -0.12 2.06 7.01 -1.98 0.16 115.95 124.07 1bhb h TRP 10 Ca 0.00 -0.33 -0.20 0.00 2.11 0.00 0.00 58.89 60.47 1bhb h TRP 10 Cb 0.41 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1bhb h TRP 10 CO 0.00 1.13 -0.73 0.82 -2.79 0.00 0.00 178.44 176.87 1bhb h ILE 11 N 0.57 1.33 -0.38 2.65 1.08 -1.81 -0.72 117.51 120.24 1bhb h ILE 11 Ca 0.03 -2.04 -0.08 0.00 -0.39 0.00 0.00 64.86 62.38 1bhb h ILE 11 Cb 1.02 2.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 1bhb h ILE 11 CO 0.10 0.63 -0.09 -0.25 -0.69 0.00 0.00 178.15 177.85 1bhb h TRP 12 N 0.40 0.71 -0.26 1.37 2.91 -1.19 0.21 115.95 120.10 1bhb h TRP 12 Ca -0.04 -0.11 -0.17 0.00 1.13 0.00 0.00 58.89 59.71 1bhb h TRP 12 Cb 1.33 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1bhb h TRP 12 CO 0.06 0.72 -0.51 1.25 -1.03 0.00 0.00 178.44 178.94 1bhb h LEU 13 N 0.60 0.79 -0.63 0.65 5.85 -0.50 -0.13 115.31 121.94 1bhb h LEU 13 Ca 0.11 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1bhb h LEU 13 Cb 0.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1bhb h LEU 13 CO 0.03 1.16 0.19 0.00 -0.34 0.00 0.00 178.44 179.47 1bhb h ALA 14 N 0.86 0.83 -0.43 1.25 0.00 -0.56 0.17 119.26 121.38 1bhb h ALA 14 Ca 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1bhb h ALA 14 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bhb h ALA 14 CO 0.11 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.67 1bhb h LEU 15 N 0.92 0.86 -1.15 0.00 3.38 -0.83 -0.64 115.31 117.85 1bhb h LEU 15 Ca 0.20 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1bhb h LEU 15 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1bhb h LEU 15 CO -0.00 1.04 0.05 1.23 0.09 0.00 0.00 178.44 180.84 1bhb h GLY 16 N 0.68 0.69 1.37 0.83 0.00 -0.66 -0.13 103.07 105.86 1bhb h GLY 16 Ca 0.11 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 1bhb h GLY 16 CO 0.05 0.38 -0.64 -0.84 0.00 0.00 0.00 176.54 175.48 1bhb h THR 17 N 0.62 1.31 -0.42 4.70 2.02 -0.43 -1.22 112.91 119.49 1bhb h THR 17 Ca 0.13 -1.90 -0.08 0.00 0.77 0.00 0.00 66.41 65.33 1bhb h THR 17 Cb 0.32 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1bhb h THR 17 CO 0.01 0.60 -0.04 0.00 0.37 0.00 0.00 175.52 176.45 1bhb h ALA 18 N 0.81 0.57 -0.13 6.16 0.00 -0.68 0.65 119.26 126.65 1bhb h ALA 18 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1bhb h ALA 18 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1bhb h ALA 18 CO 0.13 0.39 0.05 1.25 0.00 0.00 0.00 179.25 181.07 1bhb h LEU 19 N 0.59 0.18 -1.03 0.00 6.46 -0.99 -1.24 115.31 119.27 1bhb h LEU 19 Ca 0.11 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1bhb h LEU 19 Cb 0.54 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 1bhb h LEU 19 CO 0.03 0.28 0.66 -0.03 -0.62 0.00 0.00 178.44 178.76 1bhb h MET 20 N 0.06 1.28 0.37 1.25 4.05 -1.10 0.70 114.93 121.54 1bhb h MET 20 Ca 0.04 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1bhb h MET 20 Cb 0.16 -0.29 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1bhb h MET 20 CO -0.00 0.85 -0.18 0.78 0.23 0.00 0.00 176.91 178.59 1bhb h GLY 21 N 1.32 -0.51 1.65 1.39 0.00 -0.55 0.40 103.07 106.77 1bhb h GLY 21 Ca 0.37 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1bhb h GLY 21 CO -0.09 -0.19 0.18 1.41 0.00 0.00 0.00 176.54 177.85 1bhb h LEU 22 N -0.53 0.41 -0.63 3.11 4.07 -0.97 -1.05 115.31 119.71 1bhb h LEU 22 Ca -0.05 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 1bhb h LEU 22 Cb 0.40 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1bhb h LEU 22 CO 0.08 0.34 0.10 1.23 -1.08 0.00 0.00 178.44 179.11 1bhb h GLY 23 N 0.55 1.12 0.96 0.83 0.00 -0.36 0.18 103.07 106.36 1bhb h GLY 23 Ca 0.12 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 1bhb h GLY 23 CO -0.02 0.69 -0.10 -0.84 0.00 0.00 0.00 176.54 176.28 1bhb h THR 24 N 0.95 1.28 -0.39 4.70 2.02 0.03 -0.34 112.91 121.16 1bhb h THR 24 Ca 0.19 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1bhb h THR 24 Cb 0.43 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1bhb h THR 24 CO 0.01 0.39 0.19 -0.07 0.37 0.00 0.00 175.52 176.41 1bhb h LEU 25 N 0.53 0.50 -0.88 2.58 4.07 -1.06 -0.45 115.31 120.59 1bhb h LEU 25 Ca 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1bhb h LEU 25 Cb 0.61 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 1bhb h LEU 25 CO 0.04 0.48 0.45 0.22 -1.08 0.00 0.00 178.44 178.55 1bhb h TYR 26 N 0.49 1.24 -0.35 1.13 3.20 -0.85 -1.26 116.97 120.58 1bhb h TYR 26 Ca 0.13 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1bhb h TYR 26 Cb 0.11 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1bhb h TYR 26 CO -0.02 0.88 -0.09 0.35 -1.64 0.00 0.00 178.16 177.64 1bhb h PHE 27 N 1.25 0.63 -0.33 -3.82 3.57 -0.65 -1.89 116.94 115.70 1bhb h PHE 27 Ca 0.31 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 1bhb h PHE 27 Cb 0.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1bhb h PHE 27 CO 0.01 0.66 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.36 1bhb h LEU 28 N 0.54 0.75 -0.74 0.59 3.38 -0.47 -0.73 115.31 118.62 1bhb h LEU 28 Ca 0.10 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1bhb h LEU 28 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1bhb h LEU 28 CO 0.03 1.01 0.30 0.58 0.09 0.00 0.00 178.44 180.45 1bhb h VAL 29 N 0.61 1.25 -0.48 1.22 2.07 -0.77 0.15 116.25 120.30 1bhb h VAL 29 Ca 0.07 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1bhb h VAL 29 Cb 0.84 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1bhb h VAL 29 CO 0.07 0.32 -0.09 0.11 0.02 0.00 0.00 177.57 178.01 1bhb h LYS 30 N 1.07 0.90 -0.24 1.57 1.57 -1.10 -2.69 116.57 117.65 1bhb h LYS 30 Ca 0.25 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1bhb h LYS 30 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1bhb h LYS 30 CO -0.02 0.98 -0.11 0.78 -0.57 0.00 0.00 179.45 180.51 1bhb h GLY 31 N 0.74 0.43 0.98 3.86 0.00 -0.65 -2.74 103.07 105.70 1bhb h GLY 31 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1bhb h GLY 31 CO 0.04 0.26 0.27 1.98 0.00 0.00 0.00 176.54 179.09 1bhb h MET 32 N 0.37 0.81 0.00 4.80 1.85 -0.40 -3.49 114.93 118.88 1bhb h MET 32 Ca 0.07 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1bhb h MET 32 Cb 0.43 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.31 1bhb h MET 32 CO 0.02 0.67 0.00 0.41 -0.40 0.00 0.00 176.91 177.61 1bhb n GLY 33 N -0.92 -0.79 2.12 1.39 0.00 -1.04 -5.11 105.19 100.85 1bhb n GLY 33 Ca 0.03 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bhb n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bhb n VAL 34 N 0.00 0.09 0.00 1.61 3.14 -1.26 -4.74 118.33 117.18 1bhb n VAL 34 Ca 0.00 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1bhb n VAL 34 Cb 0.00 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1bhb n VAL 34 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bhb n PRO 37 N 2.27 0.00 0.10 1.45 -0.04 -1.26 -4.22 135.00 133.29 1bhb n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bhb n PRO 37 Cb 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1bhb n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bhb n ASP 38 N 0.00 -0.88 -3.64 3.54 8.00 -1.26 -5.15 116.55 117.16 1bhb n ASP 38 Ca 0.00 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 1bhb n ASP 38 Cb 0.00 0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bhb s ALA 39 N -2.00 -1.23 0.21 2.24 0.00 -1.26 -5.02 121.76 114.70 1bhb s ALA 39 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1bhb s ALA 39 Cb 0.00 0.85 0.18 0.00 0.00 0.00 0.00 23.12 24.16 1bhb s ALA 39 CO 0.00 -0.82 1.61 -0.22 0.00 0.00 0.00 175.76 176.32 1bhb h LYS 40 N 2.10 0.72 -0.16 0.00 1.63 -2.01 -0.69 116.57 118.16 1bhb h LYS 40 Ca -0.29 -0.32 -0.03 0.00 -0.85 0.00 0.00 60.65 59.17 1bhb h LYS 40 Cb 1.28 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 1bhb h LYS 40 CO 0.36 0.92 -0.00 0.87 -3.45 0.00 0.00 179.45 178.14 1bhb h LYS 41 N 0.61 0.28 -0.96 1.90 1.79 -1.99 -0.40 116.57 117.80 1bhb h LYS 41 Ca 0.07 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1bhb h LYS 41 Cb 0.80 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.38 1bhb h LYS 41 CO 0.07 0.51 0.62 0.35 -1.08 0.00 0.00 179.45 179.92 1bhb h PHE 42 N 0.01 1.22 -0.51 -1.35 3.57 -1.93 -1.01 116.94 116.94 1bhb h PHE 42 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1bhb h PHE 42 Cb 0.39 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1bhb h PHE 42 CO 0.04 0.78 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.88 1bhb h TYR 43 N 1.30 1.03 -0.13 0.41 3.20 -0.97 -0.24 116.97 121.57 1bhb h TYR 43 Ca 0.35 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1bhb h TYR 43 Cb -0.13 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.87 1bhb h TYR 43 CO -0.00 0.96 0.06 0.00 -1.64 0.00 0.00 178.16 177.54 1bhb h ALA 44 N 1.05 0.17 -0.85 1.82 0.00 -0.45 0.92 119.26 121.92 1bhb h ALA 44 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bhb h ALA 44 Cb 0.62 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1bhb h ALA 44 CO 0.04 -0.27 0.47 0.82 0.00 0.00 0.00 179.25 180.31 1bhb h ILE 45 N 0.08 1.25 -0.01 0.00 5.03 -1.07 0.27 117.51 123.05 1bhb h ILE 45 Ca 0.04 -0.60 -0.04 0.00 -0.12 0.00 0.00 64.86 64.14 1bhb h ILE 45 Cb 0.12 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.00 1bhb h ILE 45 CO -0.01 0.27 -0.20 0.74 -0.68 0.00 0.00 178.15 178.28 1bhb h THR 46 N 1.18 1.15 0.00 -0.27 2.02 -0.62 0.30 112.91 116.68 1bhb h THR 46 Ca 0.30 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1bhb h THR 46 Cb 0.02 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1bhb h THR 46 CO -0.05 0.20 -0.53 0.74 0.37 0.00 0.00 175.52 176.26 1bhb h THR 47 N 0.02 0.00 -0.53 3.16 2.02 0.42 -3.21 112.91 114.79 1bhb h THR 47 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1bhb h THR 47 Cb 0.36 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1bhb h THR 47 CO 0.03 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.10 1bhb n LEU 48 N -2.36 4.09 0.01 2.58 4.77 0.83 -4.41 117.00 122.51 1bhb n LEU 48 Ca 0.03 -2.37 -0.11 0.00 -0.03 0.00 0.00 56.01 53.52 1bhb n LEU 48 Cb 0.47 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1bhb n LEU 48 CO 0.36 0.79 0.89 0.58 -1.33 0.00 0.00 177.39 178.68 1bhb h VAL 49 N 3.25 1.04 0.00 4.08 2.07 -1.00 0.19 116.25 125.88 1bhb h VAL 49 Ca 0.00 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1bhb h VAL 49 Cb 1.22 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1bhb h VAL 49 CO 0.15 0.03 -0.28 1.55 0.02 0.00 0.00 177.57 179.04 1bhb h PRO 50 N 0.09 0.00 -0.29 1.57 0.13 -1.81 -1.69 132.00 130.00 1bhb h PRO 50 Ca 0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1bhb h PRO 50 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1bhb h PRO 50 CO -0.01 0.28 -0.54 0.00 -0.23 0.00 0.00 178.00 177.50 1bhb h ALA 51 N 1.72 0.46 -0.11 -0.56 0.00 -1.64 -0.03 119.26 119.10 1bhb h ALA 51 Ca -0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 1bhb h ALA 51 Cb 0.96 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bhb h ALA 51 CO 0.04 0.67 -0.82 0.82 0.00 0.00 0.00 179.25 179.95 1bhb h ILE 52 N 0.66 1.30 -0.71 0.00 2.04 -0.55 -1.39 117.51 118.86 1bhb h ILE 52 Ca 0.01 -2.06 -0.03 0.00 1.00 0.00 0.00 64.86 63.78 1bhb h ILE 52 Cb 1.15 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 1bhb h ILE 52 CO 0.12 0.64 0.31 0.00 0.00 0.00 0.00 178.15 179.23 1bhb h ALA 53 N 0.59 0.91 -0.49 1.87 0.00 -1.26 0.39 119.26 121.28 1bhb h ALA 53 Ca -0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1bhb h ALA 53 Cb 1.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1bhb h ALA 53 CO 0.16 0.50 -0.20 0.35 0.00 0.00 0.00 179.25 180.07 1bhb h PHE 54 N 0.99 1.13 -0.57 0.00 3.57 -0.95 -1.02 116.94 120.09 1bhb h PHE 54 Ca 0.24 -0.26 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1bhb h PHE 54 Cb 0.16 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1bhb h PHE 54 CO 0.01 1.09 0.17 1.15 -2.23 0.00 0.00 178.31 178.50 1bhb h THR 55 N 0.86 1.24 -0.39 4.41 2.02 -0.85 0.13 112.91 120.33 1bhb h THR 55 Ca 0.12 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 1bhb h THR 55 Cb 0.77 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1bhb h THR 55 CO 0.06 0.31 0.01 0.24 0.37 0.00 0.00 175.52 176.52 1bhb h MET 56 N 0.81 0.68 -0.46 6.66 2.86 -0.81 -0.62 114.93 124.05 1bhb h MET 56 Ca 0.18 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1bhb h MET 56 Cb 0.30 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1bhb h MET 56 CO -0.00 0.76 -0.07 -0.92 1.06 0.00 0.00 176.91 177.74 1bhb h TYR 57 N 0.50 0.87 -0.50 -0.22 3.20 -1.01 -0.02 116.97 119.79 1bhb h TYR 57 Ca 0.11 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1bhb h TYR 57 Cb 0.45 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1bhb h TYR 57 CO 0.03 0.83 -0.06 1.25 -1.64 0.00 0.00 178.16 178.58 1bhb h LEU 58 N 0.73 0.92 -1.00 2.82 6.46 -0.57 -0.11 115.31 124.56 1bhb h LEU 58 Ca 0.13 -0.33 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 1bhb h LEU 58 Cb 0.55 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1bhb h LEU 58 CO 0.03 1.03 -0.29 -1.28 -0.62 0.00 0.00 178.44 177.32 1bhb h SER 59 N 0.79 0.37 0.00 1.25 0.87 -0.82 0.16 113.55 116.18 1bhb h SER 59 Ca 0.14 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1bhb h SER 59 Cb 0.60 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1bhb h SER 59 CO 0.04 0.66 -0.00 -0.03 -0.53 0.00 0.00 176.83 176.96 1bhb h MET 60 N 0.33 -0.00 -0.27 2.24 1.85 -0.64 0.18 114.93 118.61 1bhb h MET 60 Ca 0.05 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.09 1bhb h MET 60 Cb 0.68 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 1bhb h MET 60 CO 0.05 0.46 -0.04 -0.07 -0.40 0.00 0.00 176.91 176.91 1bhb h LEU 61 N -0.47 0.39 -0.41 3.39 -0.00 -0.95 -1.84 115.31 115.42 1bhb h LEU 61 Ca -0.00 -0.07 -0.18 0.00 -0.00 0.00 0.00 57.88 57.63 1bhb h LEU 61 Cb 0.47 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1bhb h LEU 61 CO 0.00 0.48 -0.60 0.25 -0.00 0.00 0.00 178.44 178.57 1bhb h LEU 62 N 0.40 0.73 -0.39 1.67 5.85 -0.87 0.16 115.31 122.85 1bhb h LEU 62 Ca 0.09 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1bhb h LEU 62 Cb 0.33 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1bhb h LEU 62 CO 0.01 1.16 0.16 1.23 -0.34 0.00 0.00 178.44 180.66 1bhb h GLY 63 N 0.94 0.51 1.63 3.75 0.00 0.18 -2.62 103.07 107.46 1bhb h GLY 63 Ca -0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 1bhb h GLY 63 CO 0.12 0.06 -1.08 -0.97 0.00 0.00 0.00 176.54 174.66 1bhb h TYR 64 N 0.33 0.49 -4.11 5.60 0.05 -1.40 -3.49 116.97 114.44 1bhb h TYR 64 Ca 0.17 -0.31 -0.15 0.00 0.05 0.00 0.00 58.73 58.49 1bhb h TYR 64 Cb 0.12 -0.04 0.10 0.00 1.01 0.00 0.00 36.73 37.92 1bhb h TYR 64 CO -0.13 1.19 -0.43 0.41 -1.05 0.00 0.00 178.16 178.15 1bhb n GLY 65 N 1.24 -0.08 0.35 3.88 0.00 0.55 -5.01 105.19 106.12 1bhb n GLY 65 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1bhb n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bhb n LEU 66 N -2.52 0.40 0.09 0.99 7.99 -1.20 -4.09 117.00 118.65 1bhb n LEU 66 Ca -0.09 0.06 -0.16 0.00 -0.01 0.00 0.00 56.01 55.81 1bhb n LEU 66 Cb 0.58 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 43.39 1bhb n LEU 66 CO 0.32 -0.48 0.05 0.74 -1.51 0.00 0.00 177.39 176.50 1bhb h THR 67 N -0.16 1.41 -0.00 -5.08 2.02 -1.88 -2.84 112.91 106.38 1bhb h THR 67 Ca 0.00 -2.66 -0.15 0.00 0.77 0.00 0.00 66.41 64.36 1bhb h THR 67 Cb 0.16 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1bhb h THR 67 CO 0.00 0.79 -0.73 0.24 0.37 0.00 0.00 175.52 176.20 1bhb h MET 68 N 0.18 0.03 -2.68 6.66 2.86 -1.86 -3.37 114.93 116.76 1bhb h MET 68 Ca -0.12 -0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 56.89 1bhb h MET 68 Cb 1.79 0.01 -0.40 0.00 0.06 0.00 0.00 31.60 33.06 1bhb h MET 68 CO 0.19 0.74 -0.81 0.08 1.06 0.00 0.00 176.91 178.17 1bhb s VAL 69 N -3.38 1.27 -2.00 -2.22 1.01 -1.22 -5.07 120.40 108.79 1bhb s VAL 69 Ca -0.01 -3.13 0.24 0.00 0.00 0.00 0.00 61.98 59.08 1bhb s VAL 69 Cb 0.12 -1.86 0.68 0.00 0.00 0.00 0.00 36.38 35.32 1bhb s VAL 69 CO 0.78 -1.11 1.80 -0.81 0.00 0.00 0.00 175.10 175.76