#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 0.00 -0.22 0.00 6.02 -1.26 -4.88 117.38 117.04 1bhb n GLN 3 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1bhb n GLN 3 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1bhb n GLN 3 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1bhb n ILE 4 N 0.00 0.00 -3.43 5.09 -6.64 -1.26 0.11 119.36 113.23 1bhb n ILE 4 Ca 0.00 -0.02 -0.17 0.00 -1.77 0.00 0.00 62.75 60.78 1bhb n ILE 4 Cb 0.00 -0.05 0.00 0.00 -1.44 0.00 0.00 39.64 38.15 1bhb n ILE 4 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1bhb n THR 5 N 1.01 -1.66 0.08 7.28 5.66 -1.26 -4.61 114.28 120.77 1bhb n THR 5 Ca 0.10 -0.10 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1bhb n THR 5 Cb 0.01 -1.46 -0.05 0.00 -1.55 0.00 0.00 70.33 67.27 1bhb n THR 5 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bhb h GLY 6 N 0.18 0.34 -1.54 1.09 0.00 0.41 -3.42 103.07 100.13 1bhb h GLY 6 Ca -0.37 -0.65 -0.51 0.00 0.00 0.00 0.00 47.33 45.81 1bhb h GLY 6 CO 0.23 0.57 0.36 1.09 0.00 0.00 0.00 176.54 178.78 1bhb s ARG 7 N -3.11 2.76 -1.38 4.80 1.70 -1.26 -4.92 118.95 117.53 1bhb s ARG 7 Ca -0.04 1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 56.34 1bhb s ARG 7 Cb 0.09 -1.96 0.09 0.00 -0.57 0.00 0.00 34.95 32.60 1bhb s ARG 7 CO 0.86 -1.26 2.19 -0.35 -1.08 0.00 0.00 175.30 175.66 1bhb n PRO 8 N -2.77 3.53 0.24 3.89 -0.04 -1.26 -4.63 135.00 133.97 1bhb n PRO 8 Ca 0.09 -3.07 0.13 0.00 -0.04 0.00 0.00 63.50 60.62 1bhb n PRO 8 Cb 0.53 -2.98 0.45 0.00 -0.04 0.00 0.00 33.50 31.46 1bhb n PRO 8 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bhb h GLU 9 N 5.57 0.00 -0.16 0.54 4.11 -1.92 -2.05 114.58 120.67 1bhb h GLU 9 Ca 0.55 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.82 1bhb h GLU 9 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1bhb h GLU 9 CO 1.71 0.07 -0.59 2.35 0.07 0.00 0.00 179.01 182.62 1bhb h TRP 10 N 0.00 0.66 -0.08 2.06 2.91 -1.90 0.97 115.95 120.57 1bhb h TRP 10 Ca -0.00 -0.25 -0.24 0.00 1.13 0.00 0.00 58.89 59.54 1bhb h TRP 10 Cb 0.75 -0.12 0.02 0.00 -0.51 0.00 0.00 29.16 29.30 1bhb h TRP 10 CO 0.00 0.98 -0.88 0.82 -1.03 0.00 0.00 178.44 178.33 1bhb h ILE 11 N 0.39 1.29 -0.43 2.65 1.08 -1.87 -0.81 117.51 119.80 1bhb h ILE 11 Ca -0.00 -2.09 -0.06 0.00 -0.39 0.00 0.00 64.86 62.32 1bhb h ILE 11 Cb 1.14 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 37.06 1bhb h ILE 11 CO 0.11 0.65 0.00 -0.25 -0.69 0.00 0.00 178.15 177.97 1bhb h TRP 12 N 0.44 0.73 -0.36 1.37 7.01 -1.28 0.04 115.95 123.90 1bhb h TRP 12 Ca -0.09 -0.09 -0.12 0.00 2.11 0.00 0.00 58.89 60.70 1bhb h TRP 12 Cb 1.52 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.37 1bhb h TRP 12 CO 0.10 0.69 -0.25 1.25 -2.79 0.00 0.00 178.44 177.44 1bhb h LEU 13 N 0.65 0.84 -0.72 0.65 5.85 -0.71 -0.00 115.31 121.87 1bhb h LEU 13 Ca 0.13 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1bhb h LEU 13 Cb 0.40 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1bhb h LEU 13 CO 0.02 1.10 0.43 0.00 -0.34 0.00 0.00 178.44 179.65 1bhb h ALA 14 N 0.77 0.91 -0.58 1.25 0.00 -0.58 0.14 119.26 121.18 1bhb h ALA 14 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1bhb h ALA 14 Cb 0.82 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1bhb h ALA 14 CO 0.07 0.38 -0.02 -0.07 0.00 0.00 0.00 179.25 179.61 1bhb h LEU 15 N 0.98 1.00 -0.73 0.00 3.38 -0.84 -0.67 115.31 118.44 1bhb h LEU 15 Ca 0.26 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1bhb h LEU 15 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1bhb h LEU 15 CO -0.05 1.06 0.30 1.23 0.09 0.00 0.00 178.44 181.07 1bhb h GLY 16 N 0.99 1.16 1.43 0.83 0.00 -0.19 0.17 103.07 107.45 1bhb h GLY 16 Ca 0.16 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1bhb h GLY 16 CO 0.03 0.59 -0.34 -0.84 0.00 0.00 0.00 176.54 175.99 1bhb h THR 17 N 1.04 1.29 -0.43 4.70 2.02 -0.49 -0.79 112.91 120.24 1bhb h THR 17 Ca 0.24 -1.47 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1bhb h THR 17 Cb 0.20 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1bhb h THR 17 CO -0.02 0.47 -0.00 0.00 0.37 0.00 0.00 175.52 176.34 1bhb h ALA 18 N 1.09 0.59 -0.35 6.16 0.00 -0.71 0.14 119.26 126.17 1bhb h ALA 18 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1bhb h ALA 18 Cb 0.84 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bhb h ALA 18 CO 0.07 0.38 0.14 1.25 0.00 0.00 0.00 179.25 181.08 1bhb h LEU 19 N 0.61 0.49 -1.16 0.00 6.46 -0.81 -0.97 115.31 119.92 1bhb h LEU 19 Ca 0.12 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1bhb h LEU 19 Cb 0.49 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1bhb h LEU 19 CO 0.02 0.53 0.12 -0.03 -0.62 0.00 0.00 178.44 178.46 1bhb h MET 20 N 0.42 0.70 0.07 1.25 4.05 -0.96 0.88 114.93 121.34 1bhb h MET 20 Ca 0.12 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1bhb h MET 20 Cb 0.19 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1bhb h MET 20 CO -0.01 0.64 -0.03 0.78 0.23 0.00 0.00 176.91 178.52 1bhb h GLY 21 N 0.89 -0.10 1.21 1.39 0.00 -0.30 0.11 103.07 106.28 1bhb h GLY 21 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1bhb h GLY 21 CO -0.00 -0.03 0.19 1.41 0.00 0.00 0.00 176.54 178.10 1bhb h LEU 22 N -0.34 0.92 -0.96 3.11 4.07 -1.01 -0.95 115.31 120.15 1bhb h LEU 22 Ca -0.01 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 1bhb h LEU 22 Cb 0.30 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1bhb h LEU 22 CO 0.02 0.87 0.06 1.23 -1.08 0.00 0.00 178.44 179.53 1bhb h GLY 23 N 1.04 0.88 0.94 0.83 0.00 -0.67 -0.17 103.07 105.92 1bhb h GLY 23 Ca 0.21 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1bhb h GLY 23 CO -0.01 0.51 -0.20 -0.84 0.00 0.00 0.00 176.54 176.01 1bhb h THR 24 N 0.77 1.30 -0.63 4.70 2.02 -0.19 -0.97 112.91 119.91 1bhb h THR 24 Ca 0.16 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1bhb h THR 24 Cb 0.38 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1bhb h THR 24 CO 0.01 0.43 0.27 -0.07 0.37 0.00 0.00 175.52 176.53 1bhb h LEU 25 N 0.42 0.85 -0.84 2.58 3.38 -0.94 0.14 115.31 120.90 1bhb h LEU 25 Ca 0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1bhb h LEU 25 Cb 0.74 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1bhb h LEU 25 CO 0.05 0.77 0.25 0.22 0.09 0.00 0.00 178.44 179.82 1bhb h TYR 26 N 0.88 1.14 -0.05 1.13 3.20 -0.93 -0.33 116.97 122.00 1bhb h TYR 26 Ca 0.21 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1bhb h TYR 26 Cb 0.17 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1bhb h TYR 26 CO 0.01 0.89 -0.48 0.35 -1.64 0.00 0.00 178.16 177.29 1bhb h PHE 27 N 1.07 0.14 -0.12 -3.82 3.57 -0.72 -2.12 116.94 114.94 1bhb h PHE 27 Ca 0.24 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.50 1bhb h PHE 27 Cb 0.27 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1bhb h PHE 27 CO 0.02 0.57 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.89 1bhb h LEU 28 N 0.10 0.63 -0.52 0.59 4.07 -0.43 0.90 115.31 120.64 1bhb h LEU 28 Ca 0.00 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.52 1bhb h LEU 28 Cb 0.88 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1bhb h LEU 28 CO 0.07 1.15 0.15 0.58 -1.08 0.00 0.00 178.44 179.31 1bhb h VAL 29 N 0.37 1.24 -0.29 1.22 2.07 -0.83 0.51 116.25 120.55 1bhb h VAL 29 Ca -0.03 -0.82 -0.18 0.00 0.82 0.00 0.00 66.70 66.50 1bhb h VAL 29 Cb 1.30 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1bhb h VAL 29 CO 0.13 0.30 -0.52 0.11 0.02 0.00 0.00 177.57 177.61 1bhb h LYS 30 N 0.72 0.83 -0.74 1.57 1.57 -1.33 0.32 116.57 119.52 1bhb h LYS 30 Ca 0.17 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1bhb h LYS 30 Cb 0.30 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1bhb h LYS 30 CO -0.00 1.15 0.49 0.78 -0.57 0.00 0.00 179.45 181.29 1bhb h GLY 31 N 0.77 1.04 1.21 3.86 0.00 -0.50 -2.75 103.07 106.69 1bhb h GLY 31 Ca 0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 1bhb h GLY 31 CO 0.11 0.38 -0.90 1.98 0.00 0.00 0.00 176.54 178.12 1bhb h MET 32 N 1.00 0.74 0.00 4.80 1.85 -0.83 -3.49 114.93 119.01 1bhb h MET 32 Ca 0.27 -0.69 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 1bhb h MET 32 Cb -0.11 0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1bhb h MET 32 CO -0.06 1.28 0.00 0.41 -0.40 0.00 0.00 176.91 178.14 1bhb n GLY 33 N 0.87 2.86 0.12 1.39 0.00 0.08 -5.10 105.19 105.42 1bhb n GLY 33 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 1.61 3.14 -1.10 -4.63 118.33 117.35 1bhb n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bhb n VAL 34 Cb 0.00 0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.00 0.00 -2.19 1.45 -0.04 -1.26 -5.00 135.00 127.96 1bhb n PRO 37 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1bhb n PRO 37 Cb 0.51 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 1bhb n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bhb n ASP 38 N 0.08 -5.35 0.07 3.54 -0.08 -1.26 -4.86 116.55 108.70 1bhb n ASP 38 Ca 0.00 0.08 -0.13 0.00 -1.51 0.00 0.00 54.79 53.23 1bhb n ASP 38 Cb 0.00 -4.42 -0.13 0.00 2.34 0.00 0.00 41.12 38.91 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bhb h ALA 39 N 0.70 0.26 -0.13 -1.67 0.00 -2.05 -2.77 119.26 113.60 1bhb h ALA 39 Ca -0.43 -0.98 -0.10 0.00 0.00 0.00 0.00 54.91 53.41 1bhb h ALA 39 Cb 1.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1bhb h ALA 39 CO 0.53 1.14 -0.35 0.87 0.00 0.00 0.00 179.25 181.44 1bhb h LYS 40 N 0.04 0.26 -0.14 0.00 1.57 -1.99 -0.92 116.57 115.40 1bhb h LYS 40 Ca -0.13 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1bhb h LYS 40 Cb 1.92 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1bhb h LYS 40 CO 0.16 0.58 -0.31 0.87 -0.57 0.00 0.00 179.45 180.19 1bhb h LYS 41 N 0.23 0.45 -0.92 3.15 6.56 -1.95 -1.33 116.57 122.76 1bhb h LYS 41 Ca 0.03 -0.30 -0.01 0.00 -1.06 0.00 0.00 60.65 59.31 1bhb h LYS 41 Cb 0.72 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.38 1bhb h LYS 41 CO 0.05 0.91 0.54 0.74 -2.06 0.00 0.00 179.45 179.63 1bhb h PHE 42 N 0.06 1.23 -0.44 -1.35 -1.00 -1.27 -0.10 116.94 114.07 1bhb h PHE 42 Ca 0.00 -0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.63 1bhb h PHE 42 Cb 0.91 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1bhb h PHE 42 CO 0.10 0.83 -0.26 1.88 -1.61 0.00 0.00 178.31 179.25 1bhb h TYR 43 N 1.28 1.10 -0.37 -0.55 -1.99 -1.14 -0.69 116.97 114.61 1bhb h TYR 43 Ca 0.33 -0.29 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1bhb h TYR 43 Cb -0.03 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.43 1bhb h TYR 43 CO 0.01 1.11 0.17 0.00 -0.00 0.00 0.00 178.16 179.44 1bhb h ALA 44 N 0.83 0.48 -0.72 3.88 0.00 -0.79 0.98 119.26 123.91 1bhb h ALA 44 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bhb h ALA 44 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1bhb h ALA 44 CO 0.07 0.05 0.35 0.82 0.00 0.00 0.00 179.25 180.55 1bhb h ILE 45 N 0.46 1.23 0.00 0.00 2.04 -0.94 0.17 117.51 120.47 1bhb h ILE 45 Ca 0.13 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1bhb h ILE 45 Cb 0.14 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1bhb h ILE 45 CO -0.01 0.27 -0.17 0.74 0.00 0.00 0.00 178.15 178.98 1bhb h THR 46 N 1.01 0.68 0.00 -0.27 2.02 -0.67 -0.13 112.91 115.54 1bhb h THR 46 Ca 0.25 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1bhb h THR 46 Cb 0.11 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1bhb h THR 46 CO -0.03 0.17 -0.66 0.74 0.37 0.00 0.00 175.52 176.11 1bhb h THR 47 N 0.00 0.00 -0.40 3.16 2.02 0.44 -3.24 112.91 114.89 1bhb h THR 47 Ca -0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1bhb h THR 47 Cb 0.44 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1bhb h THR 47 CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1bhb n LEU 48 N -2.28 3.30 -0.00 2.58 4.32 0.47 -4.42 117.00 120.97 1bhb n LEU 48 Ca 0.03 -1.62 -0.11 0.00 -0.02 0.00 0.00 56.01 54.28 1bhb n LEU 48 Cb 0.47 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.95 1bhb n LEU 48 CO 0.37 0.75 0.87 0.58 -1.22 0.00 0.00 177.39 178.74 1bhb h VAL 49 N 3.79 1.07 0.00 4.08 2.07 -1.10 -0.60 116.25 125.56 1bhb h VAL 49 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1bhb h VAL 49 Cb 0.89 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1bhb h VAL 49 CO 0.00 0.06 0.00 1.55 0.02 0.00 0.00 177.57 179.20 1bhb h PRO 50 N 0.06 0.00 -0.02 1.57 0.13 -1.81 -1.85 132.00 130.08 1bhb h PRO 50 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1bhb h PRO 50 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1bhb h PRO 50 CO -0.01 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 177.69 1bhb h ALA 51 N 2.27 0.03 0.00 -0.56 0.00 -1.60 -0.68 119.26 118.73 1bhb h ALA 51 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1bhb h ALA 51 Cb 0.61 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1bhb h ALA 51 CO 0.00 -0.08 -0.54 -0.84 0.00 0.00 0.00 179.25 177.80 1bhb h ILE 52 N -0.55 1.28 -0.22 0.00 3.07 -1.10 -1.40 117.51 118.58 1bhb h ILE 52 Ca -0.01 -1.90 -0.06 0.00 1.55 0.00 0.00 64.86 64.44 1bhb h ILE 52 Cb 0.75 2.06 -0.01 0.00 -0.27 0.00 0.00 36.82 39.35 1bhb h ILE 52 CO 0.02 0.53 -0.10 0.00 -1.05 0.00 0.00 178.15 177.54 1bhb h ALA 53 N 1.46 0.31 -0.46 0.16 0.00 -1.33 0.71 119.26 120.12 1bhb h ALA 53 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1bhb h ALA 53 Cb 1.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1bhb h ALA 53 CO 0.07 0.14 -0.14 0.35 0.00 0.00 0.00 179.25 179.67 1bhb h PHE 54 N 0.17 0.96 -0.47 0.00 3.57 -1.00 -0.94 116.94 119.23 1bhb h PHE 54 Ca 0.05 -0.20 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 1bhb h PHE 54 Cb 0.58 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1bhb h PHE 54 CO 0.06 0.94 -0.20 1.15 -2.23 0.00 0.00 178.31 178.04 1bhb h THR 55 N 0.77 1.27 -0.51 4.41 2.02 -1.17 -2.26 112.91 117.44 1bhb h THR 55 Ca 0.12 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 1bhb h THR 55 Cb 0.66 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1bhb h THR 55 CO 0.05 0.46 -0.12 -0.03 0.37 0.00 0.00 175.52 176.25 1bhb h MET 56 N 0.81 0.98 -0.71 6.66 1.85 -0.65 -1.18 114.93 122.70 1bhb h MET 56 Ca 0.11 -0.37 -0.01 0.00 -0.61 0.00 0.00 59.70 58.82 1bhb h MET 56 Cb 0.75 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.69 1bhb h MET 56 CO 0.06 1.05 0.39 -0.92 -0.40 0.00 0.00 176.91 177.09 1bhb h TYR 57 N 0.84 0.96 -0.33 1.39 3.20 -1.05 0.13 116.97 122.12 1bhb h TYR 57 Ca 0.13 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1bhb h TYR 57 Cb 0.68 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1bhb h TYR 57 CO 0.05 0.68 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.90 1bhb h LEU 58 N 0.97 0.70 -0.84 2.82 3.38 -1.28 -0.75 115.31 120.31 1bhb h LEU 58 Ca 0.25 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1bhb h LEU 58 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1bhb h LEU 58 CO -0.04 0.94 -0.10 0.28 0.09 0.00 0.00 178.44 179.61 1bhb h SER 59 N 0.59 0.75 -0.01 -0.43 0.02 -0.57 0.14 113.55 114.03 1bhb h SER 59 Ca 0.08 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1bhb h SER 59 Cb 0.77 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1bhb h SER 59 CO 0.06 0.87 -0.01 0.24 -1.14 0.00 0.00 176.83 176.86 1bhb h MET 60 N 0.69 0.02 -0.99 3.45 2.86 -0.44 0.62 114.93 121.15 1bhb h MET 60 Ca 0.12 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1bhb h MET 60 Cb 0.57 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 1bhb h MET 60 CO 0.04 0.49 0.65 -0.07 1.06 0.00 0.00 176.91 179.08 1bhb h LEU 61 N -0.45 1.12 -0.59 1.22 -0.00 -1.07 -0.89 115.31 114.65 1bhb h LEU 61 Ca 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.74 1bhb h LEU 61 Cb 0.49 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 1bhb h LEU 61 CO 0.00 0.80 -0.11 0.25 -0.00 0.00 0.00 178.44 179.38 1bhb h LEU 62 N 1.32 1.01 -0.35 1.67 5.85 -0.91 -3.01 115.31 120.88 1bhb h LEU 62 Ca 0.37 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1bhb h LEU 62 Cb -0.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 1bhb h LEU 62 CO -0.09 1.12 0.18 1.23 -0.34 0.00 0.00 178.44 180.54 1bhb h GLY 63 N 0.94 0.48 -1.58 3.75 0.00 0.25 -3.42 103.07 103.49 1bhb h GLY 63 Ca 0.14 -0.13 -0.49 0.00 0.00 0.00 0.00 47.33 46.85 1bhb h GLY 63 CO 0.05 0.10 0.38 -0.19 0.00 0.00 0.00 176.54 176.88 1bhb s TYR 64 N -6.16 3.30 0.18 5.60 2.02 -0.45 -4.90 117.35 116.94 1bhb s TYR 64 Ca -0.13 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.00 1bhb s TYR 64 Cb 0.11 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1bhb s TYR 64 CO 0.71 -0.81 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 1bhb n GLY 65 N -1.75 -1.71 0.14 0.71 0.00 -1.26 -4.87 105.19 96.45 1bhb n GLY 65 Ca 0.07 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 1bhb n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bhb h LEU 66 N 0.00 0.48 -0.25 0.99 3.38 -1.90 -3.11 115.31 114.90 1bhb h LEU 66 Ca 0.00 -0.41 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 1bhb h LEU 66 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1bhb h LEU 66 CO 0.00 1.22 -0.72 0.74 0.09 0.00 0.00 178.44 179.77 1bhb h THR 67 N 0.19 1.33 -0.72 0.22 2.02 -1.96 -3.23 112.91 110.76 1bhb h THR 67 Ca -0.08 -2.63 -0.03 0.00 0.77 0.00 0.00 66.41 64.44 1bhb h THR 67 Cb 1.64 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 70.51 1bhb h THR 67 CO 0.17 0.70 0.34 -0.03 0.37 0.00 0.00 175.52 177.07 1bhb h MET 68 N 0.00 1.04 -6.23 6.66 -1.53 -1.88 -3.43 114.93 109.55 1bhb h MET 68 Ca -0.01 -0.16 -0.55 0.00 -3.44 0.00 0.00 59.70 55.54 1bhb h MET 68 Cb 1.44 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.28 1bhb h MET 68 CO 0.09 0.82 -0.31 0.14 0.14 0.00 0.00 176.91 177.80 1bhb s VAL 69 N -5.68 5.18 -2.00 -5.77 -7.23 -1.18 -4.88 120.40 98.84 1bhb s VAL 69 Ca -0.13 -0.19 0.24 0.00 -1.81 0.00 0.00 61.98 60.10 1bhb s VAL 69 Cb 0.14 -3.69 0.68 0.00 0.56 0.00 0.00 36.38 34.07 1bhb s VAL 69 CO 0.81 -0.11 1.79 -0.81 -0.31 0.00 0.00 175.10 176.47