#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhb h GLN 3 N 0.00 0.00 -0.29 0.00 5.75 -1.80 0.13 115.11 118.90 1bhb h GLN 3 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1bhb h GLN 3 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1bhb h GLN 3 CO 0.00 0.00 0.00 0.44 -2.65 0.00 0.00 178.83 176.62 1bhb n ILE 4 N -2.63 0.38 -3.56 2.39 -0.00 -1.26 -4.80 119.36 109.88 1bhb n ILE 4 Ca 0.00 -0.44 -0.21 0.00 -0.00 0.00 0.00 62.75 62.09 1bhb n ILE 4 Cb 0.19 0.32 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 1bhb n ILE 4 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1bhb n THR 5 N 0.51 -1.99 -0.18 7.28 5.66 0.14 -4.79 114.28 120.90 1bhb n THR 5 Ca 0.14 -0.13 -0.05 0.00 -3.05 0.00 0.00 64.05 60.96 1bhb n THR 5 Cb 0.33 -1.75 0.04 0.00 -1.55 0.00 0.00 70.33 67.40 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 -0.14 0.77 -4.42 1.09 0.00 -1.79 -3.43 103.07 95.15 1bhb h GLY 6 Ca -0.44 -0.25 -0.57 0.00 0.00 0.00 0.00 47.33 46.06 1bhb h GLY 6 CO 0.28 0.21 0.57 -0.96 0.00 0.00 0.00 176.54 176.63 1bhb n ARG 7 N -4.78 2.08 0.01 4.80 1.85 -1.26 -4.88 116.66 114.49 1bhb n ARG 7 Ca 0.04 0.74 0.12 0.00 -1.00 0.00 0.00 57.85 57.75 1bhb n ARG 7 Cb 0.08 -2.36 0.31 0.00 -1.05 0.00 0.00 32.46 29.44 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 1.38 0.04 0.24 2.89 -0.04 -1.26 -3.71 135.00 134.54 1bhb n PRO 8 Ca 0.08 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1bhb n PRO 8 Cb 0.34 -1.53 0.63 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.00 0.00 -0.12 0.54 4.11 -1.95 -0.44 114.58 116.72 1bhb h GLU 9 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1bhb h GLU 9 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1bhb h GLU 9 CO 0.00 0.17 -0.65 2.35 0.07 0.00 0.00 179.01 180.95 1bhb h TRP 10 N 0.00 0.59 -0.18 2.06 2.91 -1.94 -1.06 115.95 118.33 1bhb h TRP 10 Ca -0.00 -0.24 -0.18 0.00 1.13 0.00 0.00 58.89 59.60 1bhb h TRP 10 Cb 0.39 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1bhb h TRP 10 CO 0.00 0.97 -0.61 0.82 -1.03 0.00 0.00 178.44 178.59 1bhb h ILE 11 N 0.33 1.32 -0.41 2.65 1.08 -1.45 -0.58 117.51 120.45 1bhb h ILE 11 Ca -0.01 -1.87 -0.08 0.00 -0.39 0.00 0.00 64.86 62.50 1bhb h ILE 11 Cb 1.21 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.77 1bhb h ILE 11 CO 0.11 0.58 -0.08 -0.25 -0.69 0.00 0.00 178.15 177.82 1bhb h TRP 12 N 0.47 0.76 -0.32 1.37 7.01 -0.98 -0.28 115.95 123.97 1bhb h TRP 12 Ca -0.01 -0.12 -0.10 0.00 2.11 0.00 0.00 58.89 60.77 1bhb h TRP 12 Cb 1.19 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 1bhb h TRP 12 CO 0.06 0.76 -0.20 1.25 -2.79 0.00 0.00 178.44 177.52 1bhb h LEU 13 N 0.64 0.74 -0.45 0.65 6.46 -0.96 0.57 115.31 122.95 1bhb h LEU 13 Ca 0.12 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1bhb h LEU 13 Cb 0.53 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1bhb h LEU 13 CO 0.03 1.00 0.28 0.00 -0.62 0.00 0.00 178.44 179.13 1bhb h ALA 14 N 0.76 0.57 -0.66 1.25 0.00 -0.70 0.14 119.26 120.62 1bhb h ALA 14 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1bhb h ALA 14 Cb 0.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1bhb h ALA 14 CO 0.06 -0.02 0.13 -0.07 0.00 0.00 0.00 179.25 179.35 1bhb h LEU 15 N 0.57 1.01 -0.89 0.00 4.07 -0.94 -0.57 115.31 118.57 1bhb h LEU 15 Ca 0.17 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1bhb h LEU 15 Cb -0.02 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 1bhb h LEU 15 CO -0.06 0.99 0.47 1.23 -1.08 0.00 0.00 178.44 179.99 1bhb h GLY 16 N 1.06 1.34 1.65 0.83 0.00 -0.02 0.26 103.07 108.18 1bhb h GLY 16 Ca 0.21 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1bhb h GLY 16 CO 0.01 0.60 -0.54 -0.84 0.00 0.00 0.00 176.54 175.76 1bhb h THR 17 N 1.25 1.35 -0.12 4.70 2.02 -0.35 -0.98 112.91 120.78 1bhb h THR 17 Ca 0.31 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 1bhb h THR 17 Cb 0.05 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1bhb h THR 17 CO -0.05 0.55 -0.00 0.00 0.37 0.00 0.00 175.52 176.39 1bhb h ALA 18 N 1.14 0.16 -0.55 6.16 0.00 -0.49 0.95 119.26 126.62 1bhb h ALA 18 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bhb h ALA 18 Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1bhb h ALA 18 CO 0.09 -0.14 0.29 -0.07 0.00 0.00 0.00 179.25 179.42 1bhb h LEU 19 N -0.05 0.70 -0.82 0.00 4.07 -0.91 -0.96 115.31 117.34 1bhb h LEU 19 Ca 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1bhb h LEU 19 Cb 0.36 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1bhb h LEU 19 CO 0.01 0.60 0.49 -0.03 -1.08 0.00 0.00 178.44 178.42 1bhb h MET 20 N 0.74 1.11 -0.37 1.13 4.05 -1.04 0.16 114.93 120.72 1bhb h MET 20 Ca 0.19 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1bhb h MET 20 Cb 0.07 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 1bhb h MET 20 CO -0.03 0.79 0.16 0.78 0.23 0.00 0.00 176.91 178.85 1bhb h GLY 21 N 1.12 0.57 1.36 1.39 0.00 -0.33 -0.07 103.07 107.12 1bhb h GLY 21 Ca 0.29 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1bhb h GLY 21 CO -0.05 0.28 0.13 1.41 0.00 0.00 0.00 176.54 178.31 1bhb h LEU 22 N 0.45 0.75 -0.71 3.11 3.38 -0.84 -0.64 115.31 120.81 1bhb h LEU 22 Ca 0.12 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1bhb h LEU 22 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1bhb h LEU 22 CO -0.01 0.74 0.03 1.23 0.09 0.00 0.00 178.44 180.51 1bhb h GLY 23 N 0.95 1.10 0.99 0.83 0.00 -0.50 -0.18 103.07 106.27 1bhb h GLY 23 Ca 0.17 -0.77 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 1bhb h GLY 23 CO -0.00 0.71 -0.16 -0.84 0.00 0.00 0.00 176.54 176.24 1bhb h THR 24 N 0.94 1.28 -0.48 4.70 2.02 -0.46 -0.29 112.91 120.62 1bhb h THR 24 Ca 0.18 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 1bhb h THR 24 Cb 0.50 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1bhb h THR 24 CO 0.02 0.43 0.19 -0.07 0.37 0.00 0.00 175.52 176.46 1bhb h LEU 25 N 0.58 0.66 -0.89 2.58 3.38 -0.96 -0.92 115.31 119.75 1bhb h LEU 25 Ca 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1bhb h LEU 25 Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1bhb h LEU 25 CO 0.05 0.65 0.20 0.22 0.09 0.00 0.00 178.44 179.65 1bhb h TYR 26 N 0.63 1.05 -0.33 1.13 3.20 -0.92 -0.68 116.97 121.06 1bhb h TYR 26 Ca 0.16 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1bhb h TYR 26 Cb 0.20 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1bhb h TYR 26 CO 0.00 0.84 -0.11 0.35 -1.64 0.00 0.00 178.16 177.60 1bhb h PHE 27 N 0.98 0.62 -0.20 -3.82 3.57 -0.66 0.26 116.94 117.69 1bhb h PHE 27 Ca 0.22 -0.10 -0.19 0.00 3.53 0.00 0.00 57.97 61.43 1bhb h PHE 27 Cb 0.29 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1bhb h PHE 27 CO 0.02 0.67 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.07 1bhb h LEU 28 N 0.53 0.80 -0.78 0.59 3.38 -0.69 0.53 115.31 119.67 1bhb h LEU 28 Ca 0.10 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1bhb h LEU 28 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1bhb h LEU 28 CO 0.03 1.24 -0.60 0.58 0.09 0.00 0.00 178.44 179.78 1bhb h VAL 29 N 0.52 1.42 -0.08 1.22 2.07 -0.77 -0.40 116.25 120.23 1bhb h VAL 29 Ca -0.01 -2.03 -0.12 0.00 0.82 0.00 0.00 66.70 65.36 1bhb h VAL 29 Cb 1.22 2.08 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1bhb h VAL 29 CO 0.13 0.58 -0.42 0.50 0.02 0.00 0.00 177.57 178.38 1bhb h LYS 30 N 0.03 0.43 -0.20 1.57 1.63 -0.31 0.30 116.57 120.02 1bhb h LYS 30 Ca -0.01 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 1bhb h LYS 30 Cb 1.06 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1bhb h LYS 30 CO 0.08 0.99 0.06 0.78 -3.45 0.00 0.00 179.45 177.92 1bhb h GLY 31 N -0.02 0.34 1.93 5.01 0.00 -0.80 -2.89 103.07 106.64 1bhb h GLY 31 Ca -0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1bhb h GLY 31 CO 0.09 0.19 -0.61 1.98 0.00 0.00 0.00 176.54 178.18 1bhb h MET 32 N 0.15 0.07 0.00 4.80 1.85 -1.13 -3.48 114.93 117.19 1bhb h MET 32 Ca 0.06 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1bhb h MET 32 Cb 0.23 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.27 1bhb h MET 32 CO -0.00 0.66 0.00 0.41 -0.40 0.00 0.00 176.91 177.58 1bhb n GLY 33 N 0.24 2.14 0.14 1.39 0.00 0.10 -5.07 105.19 104.14 1bhb n GLY 33 Ca -0.02 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.26 -4.72 118.33 117.10 1bhb n VAL 34 Ca 0.00 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1bhb n VAL 34 Cb 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 -0.81 0.00 0.13 1.45 -0.04 -1.26 -4.82 135.00 129.65 1bhb n PRO 37 Ca 0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1bhb n PRO 37 Cb 0.25 -0.13 0.21 0.00 -0.04 0.00 0.00 33.50 33.78 1bhb n PRO 37 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1bhb h ASP 38 N 0.00 0.10 -4.36 3.54 2.03 -2.07 -3.44 116.42 112.23 1bhb h ASP 38 Ca 0.00 -0.05 -0.51 0.00 -0.73 0.00 0.00 57.03 55.74 1bhb h ASP 38 Cb 0.00 -0.03 0.07 0.00 -0.83 0.00 0.00 39.33 38.54 1bhb h ASP 38 CO 0.00 0.61 0.40 0.00 -1.03 0.00 0.00 179.24 179.22 1bhb s ALA 39 N -3.87 2.96 0.29 4.15 0.00 -1.26 -4.98 121.76 119.05 1bhb s ALA 39 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1bhb s ALA 39 Cb 0.13 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1bhb s ALA 39 CO 0.76 -0.88 0.00 1.17 0.00 0.00 0.00 175.76 176.81 1bhb n LYS 40 N -2.88 0.00 0.05 0.00 3.00 -1.26 -4.71 118.16 112.36 1bhb n LYS 40 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.25 1bhb n LYS 40 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.48 1bhb n LYS 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1bhb h LYS 41 N 0.00 -0.16 -0.20 1.64 1.57 -1.99 -0.24 116.57 117.20 1bhb h LYS 41 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1bhb h LYS 41 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1bhb h LYS 41 CO 0.00 0.25 -0.10 0.35 -0.57 0.00 0.00 179.45 179.37 1bhb h PHE 42 N -0.62 0.32 -0.36 -1.35 3.57 -1.99 -0.74 116.94 115.77 1bhb h PHE 42 Ca -0.02 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1bhb h PHE 42 Cb 0.48 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1bhb h PHE 42 CO 0.06 0.41 -0.42 -0.92 -2.23 0.00 0.00 178.31 175.22 1bhb h TYR 43 N 0.29 1.09 -0.40 0.41 3.20 -1.83 -1.54 116.97 118.20 1bhb h TYR 43 Ca 0.06 -0.34 -0.14 0.00 3.14 0.00 0.00 58.73 61.45 1bhb h TYR 43 Cb 0.37 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1bhb h TYR 43 CO 0.01 1.16 -0.30 0.00 -1.64 0.00 0.00 178.16 177.39 1bhb h ALA 44 N 0.78 0.71 -0.12 1.82 0.00 -0.62 -0.61 119.26 121.23 1bhb h ALA 44 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bhb h ALA 44 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1bhb h ALA 44 CO 0.10 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.90 1bhb h ILE 45 N 0.74 1.09 0.00 0.00 2.04 -1.05 0.41 117.51 120.74 1bhb h ILE 45 Ca 0.08 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1bhb h ILE 45 Cb 0.86 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1bhb h ILE 45 CO 0.08 0.08 -0.13 0.71 0.00 0.00 0.00 178.15 178.89 1bhb h THR 46 N 0.10 0.52 0.00 -0.27 1.35 -1.17 0.18 112.91 113.62 1bhb h THR 46 Ca 0.04 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1bhb h THR 46 Cb 0.08 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1bhb h THR 46 CO -0.01 0.12 -0.55 0.74 -0.25 0.00 0.00 175.52 175.58 1bhb h THR 47 N 0.00 0.00 -0.37 6.82 2.02 -0.18 -3.22 112.91 117.98 1bhb h THR 47 Ca -0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1bhb h THR 47 Cb 0.40 1.25 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 3.06 -0.00 2.58 4.77 0.13 -4.49 117.00 120.78 1bhb n LEU 48 Ca 0.03 -1.72 -0.11 0.00 -0.03 0.00 0.00 56.01 54.18 1bhb n LEU 48 Cb 0.46 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1bhb n LEU 48 CO 0.36 0.72 0.88 0.58 -1.33 0.00 0.00 177.39 178.60 1bhb h VAL 49 N 3.00 1.07 0.00 4.08 2.07 -1.03 0.15 116.25 125.59 1bhb h VAL 49 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1bhb h VAL 49 Cb 0.79 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1bhb h VAL 49 CO 0.00 0.06 -0.24 1.55 0.02 0.00 0.00 177.57 178.96 1bhb h PRO 50 N 0.08 0.00 -0.25 1.57 0.13 -1.81 -1.69 132.00 130.03 1bhb h PRO 50 Ca 0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1bhb h PRO 50 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1bhb h PRO 50 CO -0.01 0.24 -0.49 0.00 -0.23 0.00 0.00 178.00 177.51 1bhb h ALA 51 N 1.76 0.40 -0.15 -0.56 0.00 -1.66 -0.17 119.26 118.87 1bhb h ALA 51 Ca -0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1bhb h ALA 51 Cb 0.94 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bhb h ALA 51 CO 0.03 0.58 -0.75 0.82 0.00 0.00 0.00 179.25 179.93 1bhb h ILE 52 N 0.53 1.29 -0.72 0.00 2.04 -0.64 -1.39 117.51 118.63 1bhb h ILE 52 Ca 0.01 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 1bhb h ILE 52 Cb 1.10 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1bhb h ILE 52 CO 0.11 0.62 0.34 0.00 0.00 0.00 0.00 178.15 179.22 1bhb h ALA 53 N 0.64 0.93 -0.48 1.87 0.00 -1.27 -0.12 119.26 120.82 1bhb h ALA 53 Ca -0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1bhb h ALA 53 Cb 1.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1bhb h ALA 53 CO 0.15 0.49 -0.19 0.35 0.00 0.00 0.00 179.25 180.06 1bhb h PHE 54 N 1.01 1.09 -0.42 0.00 3.57 -0.96 -1.16 116.94 120.06 1bhb h PHE 54 Ca 0.25 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1bhb h PHE 54 Cb 0.12 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1bhb h PHE 54 CO 0.01 1.06 0.18 1.15 -2.23 0.00 0.00 178.31 178.48 1bhb h THR 55 N 0.84 1.19 -0.29 4.41 2.02 -0.81 0.13 112.91 120.39 1bhb h THR 55 Ca 0.12 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1bhb h THR 55 Cb 0.75 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1bhb h THR 55 CO 0.06 0.21 0.08 0.24 0.37 0.00 0.00 175.52 176.49 1bhb h MET 56 N 0.54 0.46 -0.65 6.66 2.86 -0.93 -0.93 114.93 122.94 1bhb h MET 56 Ca 0.14 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1bhb h MET 56 Cb 0.16 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1bhb h MET 56 CO -0.01 0.53 0.25 -0.92 1.06 0.00 0.00 176.91 177.81 1bhb h TYR 57 N 0.31 0.96 -0.39 -0.22 3.20 -1.05 -0.83 116.97 118.96 1bhb h TYR 57 Ca 0.09 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1bhb h TYR 57 Cb 0.26 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1bhb h TYR 57 CO 0.01 0.74 0.08 1.25 -1.64 0.00 0.00 178.16 178.60 1bhb h LEU 58 N 0.94 0.60 -0.90 2.82 6.46 -0.51 -0.49 115.31 124.23 1bhb h LEU 58 Ca 0.22 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1bhb h LEU 58 Cb 0.19 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 1bhb h LEU 58 CO -0.02 0.69 0.54 0.28 -0.62 0.00 0.00 178.44 179.32 1bhb h SER 59 N 0.49 1.07 -0.20 1.25 0.02 -0.74 0.00 113.55 115.45 1bhb h SER 59 Ca 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1bhb h SER 59 Cb 0.33 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1bhb h SER 59 CO 0.00 0.82 0.07 0.24 -1.14 0.00 0.00 176.83 176.82 1bhb h MET 60 N 1.23 0.31 -0.38 3.45 2.86 -0.83 -0.06 114.93 121.51 1bhb h MET 60 Ca 0.32 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1bhb h MET 60 Cb -0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1bhb h MET 60 CO -0.06 0.40 0.18 -0.07 1.06 0.00 0.00 176.91 178.42 1bhb h LEU 61 N 0.15 0.46 -0.31 1.22 -0.00 -0.73 -0.58 115.31 115.52 1bhb h LEU 61 Ca 0.06 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 1bhb h LEU 61 Cb 0.21 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1bhb h LEU 61 CO -0.00 0.40 -0.08 0.25 -0.00 0.00 0.00 178.44 179.00 1bhb h LEU 62 N 0.53 0.61 -0.40 1.67 6.46 -0.55 -3.11 115.31 120.53 1bhb h LEU 62 Ca 0.13 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1bhb h LEU 62 Cb 0.05 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 1bhb h LEU 62 CO -0.02 0.84 0.26 1.23 -0.62 0.00 0.00 178.44 180.12 1bhb h GLY 63 N 0.38 0.56 -0.81 3.75 0.00 -0.12 -3.43 103.07 103.40 1bhb h GLY 63 Ca 0.08 -0.22 -0.46 0.00 0.00 0.00 0.00 47.33 46.73 1bhb h GLY 63 CO 0.03 0.21 0.37 -0.19 0.00 0.00 0.00 176.54 176.96 1bhb s TYR 64 N -6.11 2.48 0.15 5.60 2.02 -0.31 -4.97 117.35 116.21 1bhb s TYR 64 Ca -0.13 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 1bhb s TYR 64 Cb 0.11 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 1bhb s TYR 64 CO 0.72 -1.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.15 1bhb n GLY 65 N -3.36 -1.40 0.13 0.71 0.00 -1.26 -4.87 105.19 95.14 1bhb n GLY 65 Ca 0.10 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.37 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 0.49 -7.65 0.99 4.07 -1.16 -3.23 115.31 108.81 1bhb h LEU 66 Ca 0.00 -0.89 -0.27 0.00 0.08 0.00 0.00 57.88 56.79 1bhb h LEU 66 Cb 0.00 -0.16 -0.31 0.00 1.08 0.00 0.00 40.66 41.27 1bhb h LEU 66 CO 0.00 1.66 -0.73 -0.89 -1.08 0.00 0.00 178.44 177.40 1bhb s THR 67 N -2.51 0.02 0.00 0.22 2.01 -1.25 -3.48 115.64 110.65 1bhb s THR 67 Ca -0.18 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 1bhb s THR 67 Cb 0.04 -0.08 -0.34 0.00 0.01 0.00 0.00 72.50 72.13 1bhb s THR 67 CO 0.81 0.06 0.89 -0.03 -0.69 0.00 0.00 174.62 175.65 1bhb h MET 68 N 6.68 0.48 -6.24 4.92 4.05 -1.90 -3.45 114.93 119.47 1bhb h MET 68 Ca -0.34 -0.82 -0.56 0.00 -0.28 0.00 0.00 59.70 57.70 1bhb h MET 68 Cb 1.17 0.31 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 1bhb h MET 68 CO 0.50 1.39 1.06 0.08 0.23 0.00 0.00 176.91 180.17 1bhb s VAL 69 N -2.60 3.76 -2.00 -5.77 1.01 -1.26 -4.99 120.40 108.55 1bhb s VAL 69 Ca -0.11 0.90 0.24 0.00 0.00 0.00 0.00 61.98 63.01 1bhb s VAL 69 Cb 0.05 -3.63 0.68 0.00 0.00 0.00 0.00 36.38 33.48 1bhb s VAL 69 CO 0.91 -0.14 1.80 -0.81 0.00 0.00 0.00 175.10 176.86