#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhb s GLN 3 N 0.00 2.34 0.00 0.00 0.74 -1.26 -4.32 119.66 117.16 1bhb s GLN 3 Ca 0.00 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1bhb s GLN 3 Cb 0.00 -4.50 0.00 0.00 1.10 0.00 0.00 33.01 29.61 1bhb s GLN 3 CO 0.00 -3.04 0.00 -0.89 -0.55 0.00 0.00 175.29 170.81 1bhb n ILE 4 N 7.63 0.00 -4.39 -2.34 5.41 -1.26 -4.63 119.36 119.78 1bhb n ILE 4 Ca 0.29 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.75 1bhb n ILE 4 Cb 0.53 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.34 1bhb n ILE 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1bhb s THR 5 N 0.00 2.58 -0.40 1.39 -1.32 -1.26 -5.06 115.64 111.57 1bhb s THR 5 Ca 0.00 -1.57 0.10 0.00 -1.21 0.00 0.00 61.69 59.01 1bhb s THR 5 Cb 0.00 -2.15 0.35 0.00 -1.51 0.00 0.00 72.50 69.19 1bhb s THR 5 CO 0.00 0.13 0.98 0.61 -2.21 0.00 0.00 174.62 174.12 1bhb n GLY 6 N 0.94 1.93 2.65 6.08 0.00 -1.26 -4.64 105.19 110.90 1bhb n GLY 6 Ca -0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1bhb n GLY 6 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bhb n ARG 7 N 0.18 0.51 -1.61 1.61 1.85 -1.26 -4.90 116.66 113.05 1bhb n ARG 7 Ca 0.13 -2.29 -0.30 0.00 -1.00 0.00 0.00 57.85 54.39 1bhb n ARG 7 Cb 0.71 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.58 1bhb n ARG 7 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1bhb n PRO 8 N 2.66 3.12 -0.04 2.89 -0.04 -1.26 -4.51 135.00 137.82 1bhb n PRO 8 Ca 0.19 -2.59 -0.15 0.00 -0.04 0.00 0.00 63.50 60.91 1bhb n PRO 8 Cb 0.55 -2.31 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1bhb n PRO 8 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bhb h GLU 9 N 3.58 0.09 0.00 0.54 4.81 -1.98 -0.95 114.58 120.67 1bhb h GLU 9 Ca 0.49 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1bhb h GLU 9 Cb 0.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1bhb h GLU 9 CO 1.05 0.98 -0.38 2.35 -0.73 0.00 0.00 179.01 182.28 1bhb h TRP 10 N -0.74 0.00 -0.22 0.92 2.91 -1.99 -0.21 115.95 116.62 1bhb h TRP 10 Ca -0.03 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.82 1bhb h TRP 10 Cb 1.06 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1bhb h TRP 10 CO 0.23 0.38 -0.52 0.82 -1.03 0.00 0.00 178.44 178.32 1bhb h ILE 11 N 0.00 1.30 -0.28 2.65 1.08 -1.87 -0.01 117.51 120.38 1bhb h ILE 11 Ca -0.00 -1.73 -0.07 0.00 -0.39 0.00 0.00 64.86 62.66 1bhb h ILE 11 Cb 0.69 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 1bhb h ILE 11 CO 0.05 0.55 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.66 1bhb h TRP 12 N 0.46 0.51 -0.31 1.37 7.01 -0.72 -0.34 115.95 123.93 1bhb h TRP 12 Ca -0.00 -0.08 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 1bhb h TRP 12 Cb 1.13 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 1bhb h TRP 12 CO 0.09 0.61 -0.18 1.25 -2.79 0.00 0.00 178.44 177.41 1bhb h LEU 13 N 0.44 0.70 -0.70 0.65 6.46 -0.85 0.40 115.31 122.40 1bhb h LEU 13 Ca 0.08 -0.42 -0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1bhb h LEU 13 Cb 0.52 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1bhb h LEU 13 CO 0.03 0.97 0.43 0.00 -0.62 0.00 0.00 178.44 179.26 1bhb h ALA 14 N 0.75 0.89 -0.57 1.25 0.00 -0.51 0.12 119.26 121.20 1bhb h ALA 14 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1bhb h ALA 14 Cb 0.72 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1bhb h ALA 14 CO 0.05 0.35 0.01 -0.07 0.00 0.00 0.00 179.25 179.60 1bhb h LEU 15 N 0.95 0.94 -0.70 0.00 3.38 -0.92 -0.65 115.31 118.32 1bhb h LEU 15 Ca 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1bhb h LEU 15 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1bhb h LEU 15 CO -0.05 1.00 0.24 1.23 0.09 0.00 0.00 178.44 180.95 1bhb h GLY 16 N 1.00 1.14 1.39 0.83 0.00 -0.07 0.03 103.07 107.39 1bhb h GLY 16 Ca 0.17 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1bhb h GLY 16 CO 0.03 0.62 -0.32 -0.84 0.00 0.00 0.00 176.54 176.02 1bhb h THR 17 N 1.01 1.28 -0.36 4.70 2.02 -0.50 -0.82 112.91 120.24 1bhb h THR 17 Ca 0.23 -1.46 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 1bhb h THR 17 Cb 0.26 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1bhb h THR 17 CO -0.01 0.47 0.03 0.00 0.37 0.00 0.00 175.52 176.39 1bhb h ALA 18 N 1.06 0.49 -0.12 6.16 0.00 -0.75 0.66 119.26 126.75 1bhb h ALA 18 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bhb h ALA 18 Cb 0.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bhb h ALA 18 CO 0.07 0.22 0.06 1.25 0.00 0.00 0.00 179.25 180.85 1bhb h LEU 19 N 0.45 0.15 -0.97 0.00 6.46 -0.85 -0.92 115.31 119.63 1bhb h LEU 19 Ca 0.11 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1bhb h LEU 19 Cb 0.40 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 1bhb h LEU 19 CO 0.01 0.21 0.63 -0.03 -0.62 0.00 0.00 178.44 178.64 1bhb h MET 20 N 0.09 1.18 -0.35 1.25 4.05 -1.01 0.29 114.93 120.43 1bhb h MET 20 Ca 0.04 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1bhb h MET 20 Cb 0.09 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1bhb h MET 20 CO -0.01 0.78 0.17 0.78 0.23 0.00 0.00 176.91 178.87 1bhb h GLY 21 N 1.22 0.53 1.42 1.39 0.00 -0.48 0.20 103.07 107.35 1bhb h GLY 21 Ca 0.39 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1bhb h GLY 21 CO -0.12 0.25 0.08 1.41 0.00 0.00 0.00 176.54 178.15 1bhb h LEU 22 N 0.43 0.68 -0.69 3.11 3.38 -0.62 -0.78 115.31 120.82 1bhb h LEU 22 Ca 0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1bhb h LEU 22 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1bhb h LEU 22 CO -0.02 0.70 -0.01 1.23 0.09 0.00 0.00 178.44 180.43 1bhb h GLY 23 N 0.92 1.08 0.98 0.83 0.00 -0.41 -0.09 103.07 106.39 1bhb h GLY 23 Ca 0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1bhb h GLY 23 CO 0.00 0.72 -0.17 -0.84 0.00 0.00 0.00 176.54 176.25 1bhb h THR 24 N 0.92 1.28 -0.40 4.70 2.02 -0.44 -0.53 112.91 120.47 1bhb h THR 24 Ca 0.16 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1bhb h THR 24 Cb 0.54 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1bhb h THR 24 CO 0.03 0.43 0.16 -0.07 0.37 0.00 0.00 175.52 176.44 1bhb h LEU 25 N 0.55 0.55 -0.80 2.58 3.38 -0.99 -0.30 115.31 120.28 1bhb h LEU 25 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1bhb h LEU 25 Cb 0.72 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1bhb h LEU 25 CO 0.05 0.56 0.41 0.22 0.09 0.00 0.00 178.44 179.77 1bhb h TYR 26 N 0.50 1.12 -0.05 1.13 3.20 -0.92 -0.34 116.97 121.62 1bhb h TYR 26 Ca 0.13 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1bhb h TYR 26 Cb 0.18 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1bhb h TYR 26 CO -0.00 0.80 -0.32 0.35 -1.64 0.00 0.00 178.16 177.35 1bhb h PHE 27 N 1.12 0.09 -0.11 -3.82 3.57 -0.75 0.07 116.94 117.10 1bhb h PHE 27 Ca 0.28 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 1bhb h PHE 27 Cb 0.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1bhb h PHE 27 CO 0.01 0.40 -0.37 1.25 -2.23 0.00 0.00 178.31 177.36 1bhb h LEU 28 N 0.08 0.52 -0.66 0.59 6.46 -0.34 0.14 115.31 122.10 1bhb h LEU 28 Ca 0.01 -0.61 -0.04 0.00 -0.12 0.00 0.00 57.88 57.12 1bhb h LEU 28 Cb 0.61 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1bhb h LEU 28 CO 0.04 1.04 0.26 0.58 -0.62 0.00 0.00 178.44 179.74 1bhb h VAL 29 N 0.03 1.24 -0.51 1.05 2.07 -0.84 0.71 116.25 120.01 1bhb h VAL 29 Ca -0.01 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1bhb h VAL 29 Cb 1.00 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1bhb h VAL 29 CO 0.08 0.30 -0.13 0.11 0.02 0.00 0.00 177.57 177.95 1bhb h LYS 30 N 0.93 0.98 -0.73 1.57 1.79 -0.97 0.11 116.57 120.26 1bhb h LYS 30 Ca 0.22 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1bhb h LYS 30 Cb 0.22 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1bhb h LYS 30 CO -0.02 1.06 0.38 0.78 -1.08 0.00 0.00 179.45 180.57 1bhb h GLY 31 N 0.85 1.10 1.88 3.86 0.00 -0.25 -0.29 103.07 110.21 1bhb h GLY 31 Ca 0.13 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1bhb h GLY 31 CO 0.05 0.49 -0.73 1.98 0.00 0.00 0.00 176.54 178.33 1bhb h MET 32 N 1.01 0.12 -0.20 4.80 1.85 -0.69 -3.11 114.93 118.69 1bhb h MET 32 Ca 0.25 -0.10 -0.12 0.00 -0.61 0.00 0.00 59.70 59.12 1bhb h MET 32 Cb 0.06 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1bhb h MET 32 CO -0.04 0.79 -0.39 0.78 -0.40 0.00 0.00 176.91 177.66 1bhb h GLY 33 N 1.88 0.49 0.00 1.39 0.00 -0.29 -3.51 103.07 103.04 1bhb h GLY 33 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1bhb h GLY 33 CO 0.10 0.43 0.00 1.55 0.00 0.00 0.00 176.54 178.62 1bhb n VAL 34 N -4.04 0.00 0.00 4.60 3.14 -0.16 -5.08 118.33 116.79 1bhb n VAL 34 Ca -0.01 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.22 1bhb n VAL 34 Cb 0.49 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.13 1bhb n VAL 34 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1bhb h PRO 37 N 0.00 0.14 -0.14 1.45 0.13 -2.05 -3.50 132.00 128.03 1bhb h PRO 37 Ca 0.00 -0.24 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1bhb h PRO 37 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1bhb h PRO 37 CO 0.00 0.86 -0.33 0.38 -0.23 0.00 0.00 178.00 178.69 1bhb h ASP 38 N 0.04 0.28 0.15 1.44 2.03 -2.05 0.04 116.42 118.34 1bhb h ASP 38 Ca -0.33 -0.10 -0.17 0.00 -0.73 0.00 0.00 57.03 55.70 1bhb h ASP 38 Cb 2.02 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 40.44 1bhb h ASP 38 CO 0.09 0.60 -0.62 0.00 -1.03 0.00 0.00 179.24 178.29 1bhb h ALA 39 N 1.42 0.68 -0.35 4.15 0.00 -2.05 -0.71 119.26 122.40 1bhb h ALA 39 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1bhb h ALA 39 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1bhb h ALA 39 CO 0.05 0.72 -0.35 -0.22 0.00 0.00 0.00 179.25 179.45 1bhb h LYS 40 N 0.34 0.85 -0.21 0.00 3.11 -1.87 -0.61 116.57 118.19 1bhb h LYS 40 Ca -0.01 -0.45 -0.02 0.00 -2.81 0.00 0.00 60.65 57.36 1bhb h LYS 40 Cb 1.17 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1bhb h LYS 40 CO 0.11 1.09 0.05 0.87 -2.81 0.00 0.00 179.45 178.76 1bhb h LYS 41 N 0.65 0.33 -0.82 1.90 1.57 -0.91 0.17 116.57 119.45 1bhb h LYS 41 Ca 0.06 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1bhb h LYS 41 Cb 0.93 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1bhb h LYS 41 CO 0.09 0.45 0.54 0.35 -0.57 0.00 0.00 179.45 180.31 1bhb h PHE 42 N 0.15 1.03 -0.61 -1.35 3.57 -1.07 -1.08 116.94 117.59 1bhb h PHE 42 Ca 0.06 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1bhb h PHE 42 Cb 0.27 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1bhb h PHE 42 CO 0.01 0.64 0.02 -0.92 -2.23 0.00 0.00 178.31 175.83 1bhb h TYR 43 N 1.10 1.13 -0.30 0.41 3.20 -0.89 -0.03 116.97 121.58 1bhb h TYR 43 Ca 0.30 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1bhb h TYR 43 Cb -0.11 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 1bhb h TYR 43 CO -0.02 0.98 0.18 0.00 -1.64 0.00 0.00 178.16 177.66 1bhb h ALA 44 N 1.05 0.39 -0.55 1.82 0.00 -0.38 0.22 119.26 121.80 1bhb h ALA 44 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bhb h ALA 44 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bhb h ALA 44 CO 0.03 -0.10 0.11 0.82 0.00 0.00 0.00 179.25 180.11 1bhb h ILE 45 N 0.38 1.23 0.00 0.00 5.03 -1.02 0.12 117.51 123.25 1bhb h ILE 45 Ca 0.11 -0.86 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1bhb h ILE 45 Cb 0.03 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 1bhb h ILE 45 CO -0.02 0.32 0.00 0.74 -0.68 0.00 0.00 178.15 178.51 1bhb h THR 46 N 0.82 0.00 0.00 -0.27 2.02 -0.31 0.79 112.91 115.96 1bhb h THR 46 Ca 0.18 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1bhb h THR 46 Cb 0.33 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1bhb h THR 46 CO 0.00 0.00 -1.24 0.41 0.37 0.00 0.00 175.52 175.06 1bhb n THR 47 N -2.88 0.23 0.93 3.16 -1.04 0.70 -3.89 114.28 111.50 1bhb n THR 47 Ca 0.01 -0.37 0.10 0.00 -2.04 0.00 0.00 64.05 61.76 1bhb n THR 47 Cb 0.31 0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.83 1bhb n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bhb n LEU 48 N -2.19 1.54 0.02 -4.42 7.99 0.26 -4.08 117.00 116.13 1bhb n LEU 48 Ca 0.00 -0.66 -0.12 0.00 -0.01 0.00 0.00 56.01 55.22 1bhb n LEU 48 Cb 0.49 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.72 1bhb n LEU 48 CO 0.42 0.31 0.76 0.58 -1.51 0.00 0.00 177.39 177.95 1bhb h VAL 49 N 1.38 1.17 0.00 4.08 2.07 -0.97 0.25 116.25 124.22 1bhb h VAL 49 Ca 0.00 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1bhb h VAL 49 Cb 0.61 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1bhb h VAL 49 CO 0.00 0.13 -0.01 1.55 0.02 0.00 0.00 177.57 179.26 1bhb h PRO 50 N -0.23 0.00 -0.10 1.57 0.13 -1.77 -1.61 132.00 129.99 1bhb h PRO 50 Ca -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1bhb h PRO 50 Cb 0.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 1bhb h PRO 50 CO 0.00 0.01 -0.57 0.00 -0.23 0.00 0.00 178.00 177.22 1bhb h ALA 51 N 1.99 0.20 -0.13 -0.56 0.00 -1.64 -0.94 119.26 118.17 1bhb h ALA 51 Ca -0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1bhb h ALA 51 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bhb h ALA 51 CO 0.00 0.43 -0.70 0.82 0.00 0.00 0.00 179.25 179.80 1bhb h ILE 52 N 0.16 1.33 -0.56 0.00 1.08 -0.88 -1.27 117.51 117.37 1bhb h ILE 52 Ca -0.04 -2.00 -0.03 0.00 -0.39 0.00 0.00 64.86 62.39 1bhb h ILE 52 Cb 1.22 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 1bhb h ILE 52 CO 0.12 0.62 0.23 0.00 -0.69 0.00 0.00 178.15 178.43 1bhb h ALA 53 N 0.81 0.73 -0.47 1.87 0.00 -1.30 0.35 119.26 121.25 1bhb h ALA 53 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1bhb h ALA 53 Cb 1.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1bhb h ALA 53 CO 0.13 0.34 -0.18 0.35 0.00 0.00 0.00 179.25 179.89 1bhb h PHE 54 N 0.77 1.03 -0.46 0.00 3.57 -1.10 -0.88 116.94 119.88 1bhb h PHE 54 Ca 0.19 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1bhb h PHE 54 Cb 0.19 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1bhb h PHE 54 CO 0.01 1.01 0.15 1.15 -2.23 0.00 0.00 178.31 178.39 1bhb h THR 55 N 0.80 1.22 -0.37 4.41 2.02 -0.87 0.11 112.91 120.23 1bhb h THR 55 Ca 0.11 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1bhb h THR 55 Cb 0.72 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1bhb h THR 55 CO 0.06 0.27 0.04 0.24 0.37 0.00 0.00 175.52 176.50 1bhb h MET 56 N 0.60 0.63 -0.62 6.66 2.86 -0.82 -0.82 114.93 123.43 1bhb h MET 56 Ca 0.15 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1bhb h MET 56 Cb 0.26 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1bhb h MET 56 CO -0.01 0.70 0.16 -0.92 1.06 0.00 0.00 176.91 177.91 1bhb h TYR 57 N 0.46 1.00 -0.30 -0.22 3.20 -1.01 -0.63 116.97 119.48 1bhb h TYR 57 Ca 0.11 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1bhb h TYR 57 Cb 0.39 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1bhb h TYR 57 CO 0.03 0.82 0.03 1.25 -1.64 0.00 0.00 178.16 178.65 1bhb h LEU 58 N 0.92 0.49 -1.31 2.82 6.46 -0.60 0.64 115.31 124.73 1bhb h LEU 58 Ca 0.20 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1bhb h LEU 58 Cb 0.32 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1bhb h LEU 58 CO -0.00 0.64 0.30 0.28 -0.62 0.00 0.00 178.44 179.04 1bhb h SER 59 N 0.31 0.69 0.12 1.25 0.02 -0.86 -0.17 113.55 114.91 1bhb h SER 59 Ca 0.09 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1bhb h SER 59 Cb 0.38 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1bhb h SER 59 CO 0.01 0.56 -0.60 -0.03 -1.14 0.00 0.00 176.83 175.64 1bhb h MET 60 N 0.78 0.48 -0.11 3.45 1.85 -0.75 0.15 114.93 120.78 1bhb h MET 60 Ca 0.20 -0.32 -0.11 0.00 -0.61 0.00 0.00 59.70 58.86 1bhb h MET 60 Cb 0.03 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1bhb h MET 60 CO -0.03 0.93 -0.42 1.25 -0.40 0.00 0.00 176.91 178.24 1bhb h LEU 61 N 0.36 0.27 0.09 3.39 7.12 -0.04 0.53 115.31 127.03 1bhb h LEU 61 Ca -0.00 -0.12 -0.26 0.00 0.13 0.00 0.00 57.88 57.63 1bhb h LEU 61 Cb 1.14 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 1bhb h LEU 61 CO 0.11 0.66 -1.19 0.25 -0.13 0.00 0.00 178.44 178.14 1bhb h LEU 62 N 0.21 0.30 -0.20 2.25 6.46 -0.88 -3.17 115.31 120.28 1bhb h LEU 62 Ca 0.02 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1bhb h LEU 62 Cb 0.84 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1bhb h LEU 62 CO 0.07 1.26 -0.19 0.61 -0.62 0.00 0.00 178.44 179.57 1bhb n GLY 63 N 1.49 -1.02 3.51 3.75 0.00 0.53 -4.92 105.19 108.52 1bhb n GLY 63 Ca -0.07 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1bhb n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bhb n TYR 64 N -1.08 -0.21 -1.84 1.61 9.36 0.18 -4.62 117.16 120.58 1bhb n TYR 64 Ca 0.11 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.80 1bhb n TYR 64 Cb 0.31 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.00 1bhb n TYR 64 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bhb n GLY 65 N 1.63 -0.58 0.11 2.98 0.00 -1.26 -4.91 105.19 103.17 1bhb n GLY 65 Ca 0.12 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 0.34 -0.78 0.99 4.07 -1.91 0.29 115.31 118.32 1bhb h LEU 66 Ca 0.00 -0.51 -0.11 0.00 0.08 0.00 0.00 57.88 57.35 1bhb h LEU 66 Cb 0.00 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1bhb h LEU 66 CO 0.00 1.43 -0.50 0.00 -1.08 0.00 0.00 178.44 178.28 1bhb h THR 67 N 0.06 1.14 0.04 0.22 1.03 -1.93 -2.17 112.91 111.29 1bhb h THR 67 Ca -0.26 -1.88 -0.30 0.00 -0.01 0.00 0.00 66.41 63.97 1bhb h THR 67 Cb 2.01 2.08 -0.03 0.00 -1.07 0.00 0.00 68.15 71.14 1bhb h THR 67 CO 0.15 0.49 -1.63 0.80 -0.01 0.00 0.00 175.52 175.32 1bhb n MET 68 N -3.61 0.64 -3.63 0.00 0.00 -1.25 -4.73 117.12 104.54 1bhb n MET 68 Ca -0.00 0.44 -0.28 0.00 -0.00 0.00 0.00 57.70 57.85 1bhb n MET 68 Cb 0.58 -1.71 -0.12 0.00 0.00 0.00 0.00 33.22 31.97 1bhb n MET 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1bhb s VAL 69 N -2.44 1.30 -2.00 1.12 1.01 0.09 -4.91 120.40 114.57 1bhb s VAL 69 Ca -0.27 -2.94 0.24 0.00 0.00 0.00 0.00 61.98 59.01 1bhb s VAL 69 Cb 0.07 -1.89 0.68 0.00 0.00 0.00 0.00 36.38 35.24 1bhb s VAL 69 CO 0.65 -1.05 1.80 -0.81 0.00 0.00 0.00 175.10 175.69