#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 3.64 -0.13 0.00 6.02 -1.26 -4.72 117.38 120.93 1bhb n GLN 3 Ca 0.00 -3.26 0.25 0.00 -0.01 0.00 0.00 57.00 53.97 1bhb n GLN 3 Cb 0.00 -2.94 0.68 0.00 1.02 0.00 0.00 30.24 29.00 1bhb n GLN 3 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1bhb h ILE 4 N 3.55 0.63 -3.48 5.09 -0.00 -1.92 -3.40 117.51 117.98 1bhb h ILE 4 Ca 0.51 -0.02 -0.53 0.00 -0.00 0.00 0.00 64.86 64.81 1bhb h ILE 4 Cb 0.56 0.56 -0.03 0.00 -0.00 0.00 0.00 36.82 37.90 1bhb h ILE 4 CO 1.66 0.01 0.13 0.28 -0.00 0.00 0.00 178.15 180.24 1bhb s THR 5 N -5.06 4.47 0.00 2.19 -1.32 -1.26 -4.89 115.64 109.77 1bhb s THR 5 Ca -0.05 1.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.97 1bhb s THR 5 Cb 0.21 -4.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1bhb s THR 5 CO 0.76 0.47 0.00 0.61 -2.21 0.00 0.00 174.62 174.25 1bhb n GLY 6 N 1.45 2.59 3.00 6.08 0.00 -1.26 -4.96 105.19 112.08 1bhb n GLY 6 Ca -0.06 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1bhb n GLY 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bhb n ARG 7 N 11.89 -2.27 0.22 1.61 3.00 -1.26 -4.79 116.66 125.05 1bhb n ARG 7 Ca 0.00 1.96 0.15 0.00 -0.00 0.00 0.00 57.85 59.96 1bhb n ARG 7 Cb 0.00 -4.91 0.60 0.00 0.00 0.00 0.00 32.46 28.15 1bhb n ARG 7 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1bhb h PRO 8 N 1.97 0.00 -0.24 -0.14 0.13 -1.96 -2.76 132.00 129.00 1bhb h PRO 8 Ca -0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 1bhb h PRO 8 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bhb h PRO 8 CO 0.21 0.00 -0.50 0.93 -0.23 0.00 0.00 178.00 178.41 1bhb h GLU 9 N 0.00 0.77 -0.23 0.86 4.39 -1.98 0.56 114.58 118.94 1bhb h GLU 9 Ca 0.00 -0.50 -0.13 0.00 0.34 0.00 0.00 59.36 59.07 1bhb h GLU 9 Cb 0.46 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1bhb h GLU 9 CO 0.00 1.12 -0.41 2.35 -1.16 0.00 0.00 179.01 180.92 1bhb h TRP 10 N 0.51 0.64 -0.47 4.33 7.01 -1.84 -0.56 115.95 125.57 1bhb h TRP 10 Ca 0.01 -0.19 -0.12 0.00 2.11 0.00 0.00 58.89 60.70 1bhb h TRP 10 Cb 1.10 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 1bhb h TRP 10 CO 0.08 0.86 -0.19 0.82 -2.79 0.00 0.00 178.44 177.23 1bhb h ILE 11 N 0.44 1.27 -0.35 2.65 1.08 -1.37 0.44 117.51 121.67 1bhb h ILE 11 Ca 0.04 -1.34 -0.09 0.00 -0.39 0.00 0.00 64.86 63.08 1bhb h ILE 11 Cb 0.90 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1bhb h ILE 11 CO 0.08 0.46 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.59 1bhb h TRP 12 N 0.81 0.69 -0.44 1.37 2.91 -0.58 -0.64 115.95 120.07 1bhb h TRP 12 Ca 0.11 -0.13 -0.09 0.00 1.13 0.00 0.00 58.89 59.91 1bhb h TRP 12 Cb 0.74 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 1bhb h TRP 12 CO 0.05 0.75 -0.09 1.25 -1.03 0.00 0.00 178.44 179.37 1bhb h LEU 13 N 0.57 0.83 -0.64 0.65 6.46 -0.63 0.44 115.31 122.98 1bhb h LEU 13 Ca 0.09 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1bhb h LEU 13 Cb 0.59 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1bhb h LEU 13 CO 0.04 0.99 0.36 0.00 -0.62 0.00 0.00 178.44 179.21 1bhb h ALA 14 N 0.87 0.82 -0.66 1.25 0.00 -0.48 0.91 119.26 121.97 1bhb h ALA 14 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1bhb h ALA 14 Cb 0.62 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1bhb h ALA 14 CO 0.04 0.33 0.11 -0.07 0.00 0.00 0.00 179.25 179.66 1bhb h LEU 15 N 0.88 1.02 -0.68 0.00 3.38 -0.90 -0.61 115.31 118.41 1bhb h LEU 15 Ca 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1bhb h LEU 15 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1bhb h LEU 15 CO -0.04 1.01 0.27 1.23 0.09 0.00 0.00 178.44 181.00 1bhb h GLY 16 N 1.05 1.08 1.40 0.83 0.00 -0.18 0.23 103.07 107.48 1bhb h GLY 16 Ca 0.20 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1bhb h GLY 16 CO 0.01 0.56 -0.24 -0.84 0.00 0.00 0.00 176.54 176.03 1bhb h THR 17 N 0.96 1.27 -0.53 4.70 2.02 -0.53 -0.68 112.91 120.12 1bhb h THR 17 Ca 0.23 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.97 1bhb h THR 17 Cb 0.21 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1bhb h THR 17 CO -0.02 0.44 -0.07 0.00 0.37 0.00 0.00 175.52 176.24 1bhb h ALA 18 N 1.13 0.73 -0.35 6.16 0.00 -0.71 0.11 119.26 126.33 1bhb h ALA 18 Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1bhb h ALA 18 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bhb h ALA 18 CO 0.06 0.61 0.10 1.25 0.00 0.00 0.00 179.25 181.26 1bhb h LEU 19 N 0.86 0.53 -1.06 0.00 6.46 -0.71 -1.00 115.31 120.39 1bhb h LEU 19 Ca 0.14 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 1bhb h LEU 19 Cb 0.63 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1bhb h LEU 19 CO 0.04 0.61 0.00 -0.03 -0.62 0.00 0.00 178.44 178.45 1bhb h MET 20 N 0.42 0.67 0.24 1.25 4.05 -0.93 0.12 114.93 120.75 1bhb h MET 20 Ca 0.11 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1bhb h MET 20 Cb 0.28 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1bhb h MET 20 CO -0.00 0.68 -0.12 0.78 0.23 0.00 0.00 176.91 178.48 1bhb h GLY 21 N 0.92 -0.34 1.50 1.39 0.00 -0.44 0.98 103.07 107.08 1bhb h GLY 21 Ca 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 1bhb h GLY 21 CO 0.01 -0.12 0.05 1.41 0.00 0.00 0.00 176.54 177.89 1bhb h LEU 22 N -0.56 0.58 -0.89 3.11 4.07 -1.09 -0.87 115.31 119.67 1bhb h LEU 22 Ca -0.03 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 1bhb h LEU 22 Cb 0.41 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1bhb h LEU 22 CO 0.06 0.62 -0.04 1.23 -1.08 0.00 0.00 178.44 179.23 1bhb h GLY 23 N 0.87 0.84 0.91 0.83 0.00 -0.58 0.00 103.07 105.94 1bhb h GLY 23 Ca 0.13 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1bhb h GLY 23 CO 0.01 0.54 -0.33 -0.84 0.00 0.00 0.00 176.54 175.91 1bhb h THR 24 N 0.72 1.33 -0.66 4.70 2.02 -0.14 -0.90 112.91 119.99 1bhb h THR 24 Ca 0.13 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 1bhb h THR 24 Cb 0.50 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1bhb h THR 24 CO 0.03 0.48 0.30 -0.07 0.37 0.00 0.00 175.52 176.63 1bhb h LEU 25 N 0.28 0.87 -0.76 2.58 3.38 -1.01 -0.23 115.31 120.42 1bhb h LEU 25 Ca 0.02 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1bhb h LEU 25 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1bhb h LEU 25 CO 0.08 0.77 0.05 0.22 0.09 0.00 0.00 178.44 179.65 1bhb h TYR 26 N 0.91 1.06 -0.08 1.13 3.20 -0.94 -0.80 116.97 121.45 1bhb h TYR 26 Ca 0.22 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 1bhb h TYR 26 Cb 0.14 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1bhb h TYR 26 CO 0.01 0.92 -0.36 0.35 -1.64 0.00 0.00 178.16 177.43 1bhb h PHE 27 N 0.92 0.18 -0.12 -3.82 3.57 -0.68 0.18 116.94 117.17 1bhb h PHE 27 Ca 0.18 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.46 1bhb h PHE 27 Cb 0.47 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1bhb h PHE 27 CO 0.03 0.50 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.92 1bhb h LEU 28 N 0.14 0.76 -0.75 0.59 4.07 -0.63 0.28 115.31 119.78 1bhb h LEU 28 Ca 0.02 -0.64 -0.12 0.00 0.08 0.00 0.00 57.88 57.21 1bhb h LEU 28 Cb 0.71 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1bhb h LEU 28 CO 0.05 1.28 -0.36 0.58 -1.08 0.00 0.00 178.44 178.91 1bhb h VAL 29 N 0.30 1.29 -0.30 1.22 2.07 -0.93 -0.13 116.25 119.77 1bhb h VAL 29 Ca -0.04 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.87 1bhb h VAL 29 Cb 1.26 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1bhb h VAL 29 CO 0.13 0.47 -0.24 0.50 0.02 0.00 0.00 177.57 178.45 1bhb h LYS 30 N 0.45 0.69 -0.66 1.57 3.64 -0.59 -0.38 116.57 121.29 1bhb h LYS 30 Ca 0.05 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 1bhb h LYS 30 Cb 0.84 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1bhb h LYS 30 CO 0.07 0.95 0.12 0.78 -2.27 0.00 0.00 179.45 179.10 1bhb h GLY 31 N 0.44 1.15 0.63 5.01 0.00 -0.75 -3.11 103.07 106.44 1bhb h GLY 31 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1bhb h GLY 31 CO 0.06 0.69 -0.01 1.98 0.00 0.00 0.00 176.54 179.26 1bhb h MET 32 N 1.01 -0.03 -6.25 4.80 1.85 -0.93 -3.48 114.93 111.91 1bhb h MET 32 Ca 0.20 0.00 -0.44 0.00 -0.61 0.00 0.00 59.70 58.85 1bhb h MET 32 Cb 0.41 0.01 0.04 0.00 0.43 0.00 0.00 31.60 32.49 1bhb h MET 32 CO 0.01 0.34 -0.90 0.41 -0.40 0.00 0.00 176.91 176.36 1bhb n GLY 33 N -0.10 -0.64 1.41 1.39 0.00 -0.16 -5.09 105.19 102.00 1bhb n GLY 33 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.23 0.00 0.00 1.61 3.14 -1.26 -5.13 118.33 112.46 1bhb n VAL 34 Ca -0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1bhb n VAL 34 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 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 0.26 0.00 -2.80 1.45 -0.04 -1.26 -5.26 135.00 127.34 1bhb n PRO 37 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1bhb n PRO 37 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.00 -5.71 -4.87 3.54 2.03 -1.26 -4.96 116.55 105.32 1bhb n ASP 38 Ca 0.00 -0.17 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1bhb n ASP 38 Cb 0.00 -4.68 0.09 0.00 -0.72 0.00 0.00 41.12 35.81 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bhb s ALA 39 N -3.07 2.56 0.15 -1.67 0.00 -1.26 -4.86 121.76 113.60 1bhb s ALA 39 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1bhb s ALA 39 Cb -0.09 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1bhb s ALA 39 CO 0.24 -1.64 1.55 -0.22 0.00 0.00 0.00 175.76 175.69 1bhb h LYS 40 N -1.03 0.92 -0.11 0.00 3.11 -1.98 0.03 116.57 117.50 1bhb h LYS 40 Ca -0.46 -0.37 -0.02 0.00 -2.81 0.00 0.00 60.65 56.99 1bhb h LYS 40 Cb 1.31 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1bhb h LYS 40 CO 0.64 1.02 0.01 0.87 -2.81 0.00 0.00 179.45 179.18 1bhb h LYS 41 N 0.76 0.19 -0.68 1.90 1.79 -1.99 -0.58 116.57 117.97 1bhb h LYS 41 Ca 0.11 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1bhb h LYS 41 Cb 0.70 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 1bhb h LYS 41 CO 0.05 0.43 0.41 0.35 -1.08 0.00 0.00 179.45 179.61 1bhb h PHE 42 N -0.07 0.76 -0.61 -1.35 3.57 -1.92 -0.54 116.94 116.78 1bhb h PHE 42 Ca 0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1bhb h PHE 42 Cb 0.34 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1bhb h PHE 42 CO 0.03 0.41 0.12 -0.92 -2.23 0.00 0.00 178.31 175.72 1bhb h TYR 43 N 0.78 1.02 -0.42 0.41 3.20 -0.86 -0.09 116.97 121.01 1bhb h TYR 43 Ca 0.29 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1bhb h TYR 43 Cb 0.08 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1bhb h TYR 43 CO -0.06 0.85 0.19 0.00 -1.64 0.00 0.00 178.16 177.51 1bhb h ALA 44 N 1.21 0.55 -0.71 1.82 0.00 -0.28 0.19 119.26 122.03 1bhb h ALA 44 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1bhb h ALA 44 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1bhb h ALA 44 CO 0.01 0.12 0.25 0.82 0.00 0.00 0.00 179.25 180.45 1bhb h ILE 45 N 0.54 1.25 0.00 0.00 5.03 -0.81 0.22 117.51 123.75 1bhb h ILE 45 Ca 0.14 -0.84 -0.04 0.00 -0.12 0.00 0.00 64.86 64.01 1bhb h ILE 45 Cb 0.14 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1bhb h ILE 45 CO -0.02 0.33 -0.18 0.74 -0.68 0.00 0.00 178.15 178.35 1bhb h THR 46 N 1.03 0.58 0.00 -0.27 2.02 -0.54 -0.35 112.91 115.37 1bhb h THR 46 Ca 0.23 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1bhb h THR 46 Cb 0.26 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1bhb h THR 46 CO -0.01 0.17 -0.65 0.41 0.37 0.00 0.00 175.52 175.81 1bhb n THR 47 N -3.54 0.03 0.91 3.16 -1.04 0.63 -3.65 114.28 110.77 1bhb n THR 47 Ca -0.01 -0.03 0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1bhb n THR 47 Cb 0.33 0.38 -0.04 0.00 -1.82 0.00 0.00 70.33 69.17 1bhb n THR 47 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bhb n LEU 48 N -1.56 1.56 0.01 -4.42 7.94 0.69 -4.13 117.00 117.08 1bhb n LEU 48 Ca 0.05 -0.67 -0.12 0.00 -1.11 0.00 0.00 56.01 54.16 1bhb n LEU 48 Cb 0.35 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 1bhb n LEU 48 CO 0.37 0.31 0.78 0.58 -1.11 0.00 0.00 177.39 178.32 1bhb h VAL 49 N 1.45 1.17 0.00 1.96 2.07 -1.17 -1.00 116.25 120.73 1bhb h VAL 49 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1bhb h VAL 49 Cb 0.61 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1bhb h VAL 49 CO 0.00 0.14 0.00 1.55 0.02 0.00 0.00 177.57 179.28 1bhb h PRO 50 N -0.17 0.00 -0.19 1.57 0.13 -1.77 -2.27 132.00 129.30 1bhb h PRO 50 Ca 0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1bhb h PRO 50 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1bhb h PRO 50 CO -0.00 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.22 1bhb h ALA 51 N 2.07 0.33 -0.15 -0.56 0.00 -1.63 -0.11 119.26 119.20 1bhb h ALA 51 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 1bhb h ALA 51 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bhb h ALA 51 CO 0.00 0.54 -0.71 0.82 0.00 0.00 0.00 179.25 179.91 1bhb h ILE 52 N 0.42 1.31 -0.54 0.00 2.04 -1.09 -1.20 117.51 118.46 1bhb h ILE 52 Ca -0.01 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.84 1bhb h ILE 52 Cb 1.17 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 1bhb h ILE 52 CO 0.12 0.61 0.18 0.00 0.00 0.00 0.00 178.15 179.06 1bhb h ALA 53 N 0.74 0.70 -0.59 1.87 0.00 -1.38 0.68 119.26 121.27 1bhb h ALA 53 Ca -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1bhb h ALA 53 Cb 1.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1bhb h ALA 53 CO 0.14 0.35 -0.03 0.35 0.00 0.00 0.00 179.25 180.06 1bhb h PHE 54 N 0.74 1.17 -0.62 0.00 3.57 -0.95 -0.94 116.94 119.91 1bhb h PHE 54 Ca 0.17 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1bhb h PHE 54 Cb 0.26 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1bhb h PHE 54 CO 0.01 1.04 0.10 1.15 -2.23 0.00 0.00 178.31 178.39 1bhb h THR 55 N 0.96 1.26 -0.31 4.41 2.02 -0.92 0.86 112.91 121.19 1bhb h THR 55 Ca 0.16 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1bhb h THR 55 Cb 0.60 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1bhb h THR 55 CO 0.04 0.38 0.03 -0.03 0.37 0.00 0.00 175.52 176.31 1bhb h MET 56 N 0.94 0.52 -0.58 6.66 1.85 -0.68 -0.54 114.93 123.10 1bhb h MET 56 Ca 0.19 -0.15 -0.09 0.00 -0.61 0.00 0.00 59.70 59.04 1bhb h MET 56 Cb 0.44 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1bhb h MET 56 CO 0.01 0.63 0.02 -0.92 -0.40 0.00 0.00 176.91 176.26 1bhb h TYR 57 N 0.34 1.08 -0.62 1.39 3.20 -1.03 -0.44 116.97 120.89 1bhb h TYR 57 Ca 0.09 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 1bhb h TYR 57 Cb 0.37 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1bhb h TYR 57 CO 0.03 0.95 0.16 1.25 -1.64 0.00 0.00 178.16 178.91 1bhb h LEU 58 N 0.92 0.93 -0.87 2.82 6.46 -0.69 0.51 115.31 125.39 1bhb h LEU 58 Ca 0.17 -0.23 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 1bhb h LEU 58 Cb 0.51 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1bhb h LEU 58 CO 0.02 0.92 -0.11 -1.28 -0.62 0.00 0.00 178.44 177.37 1bhb h SER 59 N 0.91 0.70 -0.37 1.25 0.87 -0.80 0.34 113.55 116.45 1bhb h SER 59 Ca 0.20 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1bhb h SER 59 Cb 0.34 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1bhb h SER 59 CO 0.00 0.84 -0.14 -0.03 -0.53 0.00 0.00 176.83 176.97 1bhb h MET 60 N 0.65 0.74 -0.29 2.24 1.85 -0.60 -0.09 114.93 119.42 1bhb h MET 60 Ca 0.11 -0.31 -0.11 0.00 -0.61 0.00 0.00 59.70 58.78 1bhb h MET 60 Cb 0.57 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 1bhb h MET 60 CO 0.04 0.92 -0.27 -0.07 -0.40 0.00 0.00 176.91 177.12 1bhb h LEU 61 N 0.54 0.59 -0.44 3.39 -0.00 -0.70 0.46 115.31 119.15 1bhb h LEU 61 Ca 0.09 -0.22 -0.08 0.00 -0.00 0.00 0.00 57.88 57.67 1bhb h LEU 61 Cb 0.67 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1bhb h LEU 61 CO 0.05 0.84 -0.04 0.25 -0.00 0.00 0.00 178.44 179.54 1bhb h LEU 62 N 0.51 0.79 -0.69 1.67 6.46 -0.75 -0.60 115.31 122.71 1bhb h LEU 62 Ca 0.07 -0.33 -0.11 0.00 -0.12 0.00 0.00 57.88 57.39 1bhb h LEU 62 Cb 0.73 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1bhb h LEU 62 CO 0.06 0.93 -0.19 1.23 -0.62 0.00 0.00 178.44 179.85 1bhb h GLY 63 N 0.63 0.89 1.30 3.75 0.00 -0.73 -2.95 103.07 105.96 1bhb h GLY 63 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1bhb h GLY 63 CO 0.03 0.67 -0.13 -1.82 0.00 0.00 0.00 176.54 175.29 1bhb h TYR 64 N 0.72 0.91 -1.75 5.60 3.20 -0.72 -3.44 116.97 121.50 1bhb h TYR 64 Ca 0.10 -0.18 0.09 0.00 3.14 0.00 0.00 58.73 61.89 1bhb h TYR 64 Cb 0.71 -0.23 -0.21 0.00 1.54 0.00 0.00 36.73 38.54 1bhb h TYR 64 CO 0.04 0.90 0.54 0.20 -1.64 0.00 0.00 178.16 178.20 1bhb s GLY 65 N -3.78 -0.33 0.19 1.82 0.00 -0.25 1.05 107.32 106.03 1bhb s GLY 65 Ca -0.10 1.73 -0.07 0.00 0.00 0.00 0.00 44.72 46.28 1bhb s GLY 65 CO 0.83 0.83 1.62 1.41 0.00 0.00 0.00 173.10 177.79 1bhb h LEU 66 N 2.40 0.95 -9.24 0.66 3.38 -1.80 -3.33 115.31 108.33 1bhb h LEU 66 Ca -0.19 -0.31 -0.57 0.00 0.09 0.00 0.00 57.88 56.90 1bhb h LEU 66 Cb 1.18 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1bhb h LEU 66 CO 0.31 1.07 0.26 -0.89 0.09 0.00 0.00 178.44 179.29 1bhb s THR 67 N -4.80 4.95 -0.14 0.22 2.01 -1.26 -4.89 115.64 111.73 1bhb s THR 67 Ca -0.11 1.55 0.12 0.00 0.31 0.00 0.00 61.69 63.57 1bhb s THR 67 Cb 0.13 -4.10 0.27 0.00 0.01 0.00 0.00 72.50 68.82 1bhb s THR 67 CO 0.85 0.11 1.21 1.15 -0.69 0.00 0.00 174.62 177.25 1bhb n MET 68 N 4.67 0.64 -3.61 4.92 0.00 -1.26 -4.92 117.12 117.56 1bhb n MET 68 Ca 0.02 -1.61 -0.28 0.00 0.00 0.00 0.00 57.70 55.83 1bhb n MET 68 Cb 0.50 0.08 -0.11 0.00 0.00 0.00 0.00 33.22 33.68 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 -0.51 1.24 -2.00 3.17 1.01 -1.26 -5.05 120.40 117.00 1bhb s VAL 69 Ca 0.13 -2.96 0.24 0.00 0.00 0.00 0.00 61.98 59.39 1bhb s VAL 69 Cb 0.25 -1.85 0.68 0.00 0.00 0.00 0.00 36.38 35.46 1bhb s VAL 69 CO -0.08 -1.07 1.80 -0.81 0.00 0.00 0.00 175.10 174.94