#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 3.92 0.64 0.00 -0.21 18.60 0.90 119.66 143.51 1bhb s GLN 3 Ca 0.00 -2.03 0.33 0.00 0.02 0.00 0.00 55.36 53.69 1bhb s GLN 3 Cb 0.00 -5.29 1.85 0.00 1.00 0.00 0.00 33.01 30.57 1bhb s GLN 3 CO 0.00 -2.04 2.10 -0.84 -2.12 0.00 0.00 175.29 172.39 1bhb h ILE 4 N 5.49 0.18 -5.73 1.08 -2.65 1.92 -3.22 117.51 114.59 1bhb h ILE 4 Ca 0.34 0.00 -0.25 0.00 1.03 0.00 0.00 64.86 65.98 1bhb h ILE 4 Cb 0.91 0.81 0.10 0.00 -2.05 0.00 0.00 36.82 36.59 1bhb h ILE 4 CO 1.35 0.00 -0.67 0.41 0.03 0.00 0.00 178.15 179.27 1bhb n THR 5 N -3.30 -8.18 0.00 0.16 -1.04 -1.26 -3.76 114.28 96.90 1bhb n THR 5 Ca -0.01 -0.86 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 1bhb n THR 5 Cb 0.29 -5.82 0.00 0.00 -1.82 0.00 0.00 70.33 62.99 1bhb n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bhb n GLY 6 N -1.53 1.74 3.68 3.41 0.00 -1.26 -4.85 105.19 106.38 1bhb n GLY 6 Ca -0.07 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1bhb n GLY 6 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bhb s ARG 7 N 0.00 1.08 -1.46 1.61 1.70 -1.25 -4.87 118.95 115.76 1bhb s ARG 7 Ca 0.00 1.26 -0.12 0.00 -0.47 0.00 0.00 55.73 56.40 1bhb s ARG 7 Cb 0.00 -1.76 0.04 0.00 -0.57 0.00 0.00 34.95 32.66 1bhb s ARG 7 CO 0.00 -2.49 2.36 -0.35 -1.08 0.00 0.00 175.30 173.74 1bhb n PRO 8 N -4.11 3.33 -0.04 3.89 -0.05 -1.26 -4.55 135.00 132.21 1bhb n PRO 8 Ca 0.09 -2.74 -0.19 0.00 -0.05 0.00 0.00 63.50 60.62 1bhb n PRO 8 Cb 0.53 -3.06 -0.13 0.00 -0.05 0.00 0.00 33.50 30.79 1bhb n PRO 8 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1bhb h GLU 9 N 5.61 0.12 0.00 0.54 4.81 -1.90 -1.76 114.58 122.00 1bhb h GLU 9 Ca 0.62 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1bhb h GLU 9 Cb 0.53 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1bhb h GLU 9 CO 1.79 1.10 -0.42 2.35 -0.73 0.00 0.00 179.01 183.10 1bhb h TRP 10 N -0.69 0.00 -0.08 0.92 2.91 -1.79 0.90 115.95 118.12 1bhb h TRP 10 Ca -0.19 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.69 1bhb h TRP 10 Cb 1.40 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.05 1bhb h TRP 10 CO 0.18 0.42 -0.49 0.82 -1.03 0.00 0.00 178.44 178.33 1bhb h ILE 11 N 0.00 1.39 -0.28 2.65 1.08 -1.35 -0.52 117.51 120.48 1bhb h ILE 11 Ca -0.00 -1.86 -0.06 0.00 -0.39 0.00 0.00 64.86 62.54 1bhb h ILE 11 Cb 0.77 2.30 -0.02 0.00 -3.07 0.00 0.00 36.82 36.80 1bhb h ILE 11 CO 0.05 0.55 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.72 1bhb h TRP 12 N 0.03 0.49 -0.35 1.37 2.91 -1.04 -0.20 115.95 119.16 1bhb h TRP 12 Ca -0.04 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 59.82 1bhb h TRP 12 Cb 1.15 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1bhb h TRP 12 CO 0.12 0.56 -0.15 1.25 -1.03 0.00 0.00 178.44 179.19 1bhb h LEU 13 N 0.43 0.73 -0.68 0.65 5.85 -0.73 0.46 115.31 122.02 1bhb h LEU 13 Ca 0.08 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1bhb h LEU 13 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1bhb h LEU 13 CO 0.02 0.97 0.37 0.00 -0.34 0.00 0.00 178.44 179.47 1bhb h ALA 14 N 0.79 0.87 -0.64 1.25 0.00 -0.50 0.82 119.26 121.85 1bhb h ALA 14 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1bhb h ALA 14 Cb 0.68 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1bhb h ALA 14 CO 0.05 0.39 0.12 -0.07 0.00 0.00 0.00 179.25 179.74 1bhb h LEU 15 N 0.93 1.00 -0.80 0.00 3.38 -0.89 -0.43 115.31 118.50 1bhb h LEU 15 Ca 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1bhb h LEU 15 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1bhb h LEU 15 CO -0.04 1.00 0.39 1.23 0.09 0.00 0.00 178.44 181.11 1bhb h GLY 16 N 0.96 1.23 1.63 0.83 0.00 -0.24 0.26 103.07 107.74 1bhb h GLY 16 Ca 0.20 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1bhb h GLY 16 CO 0.01 0.57 -0.41 -0.84 0.00 0.00 0.00 176.54 175.87 1bhb h THR 17 N 1.13 1.31 -0.27 4.70 2.02 -0.54 -0.78 112.91 120.48 1bhb h THR 17 Ca 0.28 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 1bhb h THR 17 Cb 0.11 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1bhb h THR 17 CO -0.04 0.48 -0.08 0.00 0.37 0.00 0.00 175.52 176.25 1bhb h ALA 18 N 1.22 0.38 -0.66 6.16 0.00 -0.52 0.41 119.26 126.26 1bhb h ALA 18 Ca 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1bhb h ALA 18 Cb 0.87 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1bhb h ALA 18 CO 0.07 0.21 0.27 -0.07 0.00 0.00 0.00 179.25 179.73 1bhb h LEU 19 N 0.29 0.91 -0.72 0.00 3.38 -0.82 -1.23 115.31 117.11 1bhb h LEU 19 Ca 0.07 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1bhb h LEU 19 Cb 0.57 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1bhb h LEU 19 CO 0.03 0.83 0.23 -0.03 0.09 0.00 0.00 178.44 179.59 1bhb h MET 20 N 0.93 1.12 0.07 1.13 4.05 -0.98 0.54 114.93 121.80 1bhb h MET 20 Ca 0.22 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1bhb h MET 20 Cb 0.20 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1bhb h MET 20 CO -0.02 0.96 -0.03 0.78 0.23 0.00 0.00 176.91 178.82 1bhb h GLY 21 N 1.07 -0.09 1.61 1.39 0.00 -0.51 0.48 103.07 107.02 1bhb h GLY 21 Ca 0.23 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1bhb h GLY 21 CO -0.01 -0.03 0.05 1.41 0.00 0.00 0.00 176.54 177.95 1bhb h LEU 22 N -0.20 0.46 -0.66 3.11 4.07 -1.12 -0.85 115.31 120.11 1bhb h LEU 22 Ca -0.01 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 1bhb h LEU 22 Cb 0.17 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1bhb h LEU 22 CO 0.02 0.49 0.03 1.23 -1.08 0.00 0.00 178.44 179.12 1bhb h GLY 23 N 0.76 1.15 1.07 0.83 0.00 -0.45 0.16 103.07 106.59 1bhb h GLY 23 Ca 0.11 -0.82 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 1bhb h GLY 23 CO 0.00 0.76 -0.30 -0.84 0.00 0.00 0.00 176.54 176.15 1bhb h THR 24 N 0.98 1.28 -0.43 4.70 2.02 -0.24 -0.59 112.91 120.63 1bhb h THR 24 Ca 0.18 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1bhb h THR 24 Cb 0.53 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1bhb h THR 24 CO 0.03 0.49 0.14 -0.07 0.37 0.00 0.00 175.52 176.48 1bhb h LEU 25 N 0.69 0.63 -0.72 2.58 3.38 -1.00 0.50 115.31 121.37 1bhb h LEU 25 Ca 0.07 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1bhb h LEU 25 Cb 0.89 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1bhb h LEU 25 CO 0.08 0.66 0.26 0.22 0.09 0.00 0.00 178.44 179.75 1bhb h TYR 26 N 0.56 1.12 0.00 1.13 3.20 -0.88 -0.34 116.97 121.76 1bhb h TYR 26 Ca 0.14 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1bhb h TYR 26 Cb 0.26 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1bhb h TYR 26 CO 0.01 0.87 -0.41 0.35 -1.64 0.00 0.00 178.16 177.35 1bhb h PHE 27 N 1.04 0.00 -0.10 -3.82 3.57 -0.82 0.04 116.94 116.85 1bhb h PHE 27 Ca 0.24 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 1bhb h PHE 27 Cb 0.25 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1bhb h PHE 27 CO 0.02 0.41 -0.52 1.25 -2.23 0.00 0.00 178.31 177.24 1bhb h LEU 28 N 0.00 0.62 -0.32 0.59 5.85 -0.34 0.20 115.31 121.91 1bhb h LEU 28 Ca -0.00 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 1bhb h LEU 28 Cb 0.75 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1bhb h LEU 28 CO 0.05 1.17 0.04 0.58 -0.34 0.00 0.00 178.44 179.94 1bhb h VAL 29 N 0.11 1.24 -0.41 1.05 2.07 -0.89 0.59 116.25 120.01 1bhb h VAL 29 Ca -0.04 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1bhb h VAL 29 Cb 1.17 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1bhb h VAL 29 CO 0.11 0.28 -0.12 0.11 0.02 0.00 0.00 177.57 177.97 1bhb h LYS 30 N 0.36 0.73 -0.68 1.57 1.79 -1.01 -0.12 116.57 119.22 1bhb h LYS 30 Ca 0.10 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 1bhb h LYS 30 Cb 0.37 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1bhb h LYS 30 CO 0.01 0.82 0.11 0.78 -1.08 0.00 0.00 179.45 180.10 1bhb h GLY 31 N 0.97 1.20 1.22 3.86 0.00 -0.28 -2.94 103.07 107.11 1bhb h GLY 31 Ca 0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 47.33 46.46 1bhb h GLY 31 CO 0.04 0.74 -0.59 1.98 0.00 0.00 0.00 176.54 178.70 1bhb h MET 32 N 1.04 0.80 -1.81 4.80 1.85 -0.57 -3.46 114.93 117.59 1bhb h MET 32 Ca 0.21 -0.54 0.06 0.00 -0.61 0.00 0.00 59.70 58.82 1bhb h MET 32 Cb 0.44 0.07 -0.23 0.00 0.43 0.00 0.00 31.60 32.31 1bhb h MET 32 CO 0.01 1.16 0.17 0.20 -0.40 0.00 0.00 176.91 178.05 1bhb s GLY 33 N -4.02 -0.38 0.59 1.39 0.00 -0.08 -5.10 107.32 99.72 1bhb s GLY 33 Ca -0.10 2.72 0.36 0.00 0.00 0.00 0.00 44.72 47.70 1bhb s GLY 33 CO 0.88 2.48 2.17 -0.24 0.00 0.00 0.00 173.10 178.39 1bhb h VAL 34 N 5.00 0.18 0.00 1.40 3.04 -1.78 -3.34 116.25 120.75 1bhb h VAL 34 Ca -0.29 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1bhb h VAL 34 Cb 1.21 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1bhb h VAL 34 CO 0.18 0.03 0.00 -0.81 -1.01 0.00 0.00 177.57 175.96 1bhb n PRO 37 N -3.27 0.00 -2.11 4.17 -0.04 -1.26 -5.05 135.00 127.45 1bhb n PRO 37 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1bhb n PRO 37 Cb 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 -2.97 5.04 0.06 3.54 8.00 -1.26 -4.56 116.55 124.39 1bhb n ASP 38 Ca 0.00 -3.02 -0.16 0.00 0.71 0.00 0.00 54.79 52.32 1bhb n ASP 38 Cb 0.00 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 39.44 1bhb n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bhb h ALA 39 N 5.72 0.30 -0.06 2.24 0.00 -2.06 -3.40 119.26 121.99 1bhb h ALA 39 Ca 0.48 -1.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 1bhb h ALA 39 Cb 0.60 0.24 -0.26 0.00 0.00 0.00 0.00 17.79 18.37 1bhb h ALA 39 CO 1.70 1.17 -0.67 0.36 0.00 0.00 0.00 179.25 181.81 1bhb n LYS 40 N -3.42 0.43 -0.06 0.00 -0.00 -1.26 -4.87 118.16 108.96 1bhb n LYS 40 Ca -0.15 -1.73 -0.07 0.00 -0.00 0.00 0.00 58.31 56.37 1bhb n LYS 40 Cb 1.03 0.03 -0.02 0.00 -0.00 0.00 0.00 35.03 36.07 1bhb n LYS 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1bhb n LYS 41 N -0.12 0.41 -0.10 -1.58 5.02 -1.26 -3.88 118.16 116.65 1bhb n LYS 41 Ca -0.10 0.16 -0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1bhb n LYS 41 Cb 0.90 -1.21 0.26 0.00 -0.02 0.00 0.00 35.03 34.97 1bhb n LYS 41 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1bhb h PHE 42 N -0.77 0.75 -0.41 2.13 3.57 -1.92 -0.92 116.94 119.37 1bhb h PHE 42 Ca 0.00 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1bhb h PHE 42 Cb 0.77 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1bhb h PHE 42 CO -0.33 0.59 -0.12 1.88 -2.23 0.00 0.00 178.31 178.09 1bhb h TYR 43 N 0.75 0.92 -0.44 0.41 0.05 -1.88 -0.13 116.97 116.64 1bhb h TYR 43 Ca 0.18 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1bhb h TYR 43 Cb 0.15 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1bhb h TYR 43 CO 0.01 0.94 0.15 0.00 -1.05 0.00 0.00 178.16 178.22 1bhb h ALA 44 N 0.84 0.57 -0.76 3.88 0.00 -1.57 -0.09 119.26 122.14 1bhb h ALA 44 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1bhb h ALA 44 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1bhb h ALA 44 CO 0.05 0.21 0.38 0.82 0.00 0.00 0.00 179.25 180.70 1bhb h ILE 45 N 0.57 1.24 0.00 0.00 2.04 -1.07 0.13 117.51 120.43 1bhb h ILE 45 Ca 0.14 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1bhb h ILE 45 Cb 0.24 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1bhb h ILE 45 CO -0.01 0.28 -0.19 0.74 0.00 0.00 0.00 178.15 178.97 1bhb h THR 46 N 1.06 0.79 0.00 -0.27 2.02 -0.60 -0.04 112.91 115.88 1bhb h THR 46 Ca 0.26 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1bhb h THR 46 Cb 0.10 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1bhb h THR 46 CO -0.03 0.19 -0.57 0.74 0.37 0.00 0.00 175.52 176.21 1bhb h THR 47 N 0.00 0.00 -0.36 3.16 2.02 0.21 -3.22 112.91 114.72 1bhb h THR 47 Ca -0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1bhb h THR 47 Cb 0.44 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 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 -2.22 3.21 0.00 2.58 4.32 0.34 -4.42 117.00 120.82 1bhb n LEU 48 Ca 0.03 -1.57 -0.12 0.00 -0.02 0.00 0.00 56.01 54.33 1bhb n LEU 48 Cb 0.45 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.95 1bhb n LEU 48 CO 0.36 0.72 0.85 0.58 -1.22 0.00 0.00 177.39 178.68 1bhb h VAL 49 N 3.70 1.08 0.00 4.08 2.07 -1.07 0.11 116.25 126.22 1bhb h VAL 49 Ca 0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1bhb h VAL 49 Cb 0.87 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1bhb h VAL 49 CO 0.00 0.07 -0.20 1.55 0.02 0.00 0.00 177.57 179.01 1bhb h PRO 50 N 0.01 0.00 -0.22 1.57 0.13 -1.81 -1.66 132.00 130.02 1bhb h PRO 50 Ca 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 1bhb h PRO 50 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1bhb h PRO 50 CO -0.00 0.20 -0.40 0.00 -0.23 0.00 0.00 178.00 177.56 1bhb h ALA 51 N 1.80 0.35 -0.13 -0.56 0.00 -1.66 -0.22 119.26 118.83 1bhb h ALA 51 Ca -0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1bhb h ALA 51 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bhb h ALA 51 CO 0.03 0.45 -0.71 0.82 0.00 0.00 0.00 179.25 179.83 1bhb h ILE 52 N 0.37 1.33 -0.69 0.00 1.08 -0.73 -1.56 117.51 117.31 1bhb h ILE 52 Ca 0.01 -2.01 -0.04 0.00 -0.39 0.00 0.00 64.86 62.44 1bhb h ILE 52 Cb 1.00 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 1bhb h ILE 52 CO 0.09 0.62 0.28 0.00 -0.69 0.00 0.00 178.15 178.45 1bhb h ALA 53 N 0.78 0.90 -0.32 1.87 0.00 -1.25 0.70 119.26 121.94 1bhb h ALA 53 Ca -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1bhb h ALA 53 Cb 1.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1bhb h ALA 53 CO 0.14 0.52 -0.04 0.35 0.00 0.00 0.00 179.25 180.21 1bhb h PHE 54 N 0.99 0.65 -0.86 0.00 3.57 -0.95 -1.02 116.94 119.32 1bhb h PHE 54 Ca 0.23 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1bhb h PHE 54 Cb 0.21 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1bhb h PHE 54 CO 0.01 0.74 0.44 1.15 -2.23 0.00 0.00 178.31 178.43 1bhb h THR 55 N 0.37 1.26 -0.14 4.41 2.02 -1.02 0.14 112.91 119.95 1bhb h THR 55 Ca 0.08 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1bhb h THR 55 Cb 0.51 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1bhb h THR 55 CO 0.02 0.30 0.03 -0.03 0.37 0.00 0.00 175.52 176.21 1bhb h MET 56 N 1.21 0.22 -0.25 6.66 1.85 -0.72 -1.03 114.93 122.87 1bhb h MET 56 Ca 0.30 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.28 1bhb h MET 56 Cb 0.08 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 1bhb h MET 56 CO -0.04 0.40 -0.09 -0.92 -0.40 0.00 0.00 176.91 175.86 1bhb h TYR 57 N 0.01 0.41 -0.37 1.39 3.20 -0.93 -0.22 116.97 120.46 1bhb h TYR 57 Ca 0.04 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1bhb h TYR 57 Cb 0.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1bhb h TYR 57 CO 0.01 0.48 -0.02 1.25 -1.64 0.00 0.00 178.16 178.24 1bhb h LEU 58 N 0.37 0.65 -1.18 2.82 6.46 -0.51 0.24 115.31 124.17 1bhb h LEU 58 Ca 0.08 -0.32 -0.09 0.00 -0.12 0.00 0.00 57.88 57.43 1bhb h LEU 58 Cb 0.39 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1bhb h LEU 58 CO 0.02 0.82 -0.40 0.77 -0.62 0.00 0.00 178.44 179.03 1bhb h SER 59 N 0.47 0.01 -0.03 1.25 4.64 -0.76 -0.09 113.55 119.03 1bhb h SER 59 Ca 0.10 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1bhb h SER 59 Cb 0.50 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1bhb h SER 59 CO 0.02 0.41 -0.06 -0.03 -0.87 0.00 0.00 176.83 176.31 1bhb h MET 60 N 0.01 0.10 -0.25 4.77 1.85 -0.66 0.18 114.93 120.92 1bhb h MET 60 Ca -0.00 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 58.95 1bhb h MET 60 Cb 0.72 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.74 1bhb h MET 60 CO 0.05 0.62 -0.16 -0.07 -0.40 0.00 0.00 176.91 176.96 1bhb h LEU 61 N -0.41 0.43 -0.46 3.39 -0.00 -0.86 -2.10 115.31 115.29 1bhb h LEU 61 Ca 0.00 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.88 57.59 1bhb h LEU 61 Cb 0.62 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1bhb h LEU 61 CO 0.01 0.61 -0.65 0.25 -0.00 0.00 0.00 178.44 178.67 1bhb h LEU 62 N 0.40 0.55 0.88 1.67 5.85 -0.97 0.21 115.31 123.90 1bhb h LEU 62 Ca 0.07 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1bhb h LEU 62 Cb 0.52 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.40 1bhb h LEU 62 CO 0.03 1.05 -0.44 1.23 -0.34 0.00 0.00 178.44 179.97 1bhb h GLY 63 N 1.16 -1.27 1.39 3.75 0.00 -0.03 -3.12 103.07 104.96 1bhb h GLY 63 Ca -0.01 0.48 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 1bhb h GLY 63 CO 0.12 -0.46 -0.41 -0.97 0.00 0.00 0.00 176.54 174.82 1bhb h TYR 64 N -1.20 0.80 0.00 5.60 0.05 -1.46 -3.49 116.97 117.26 1bhb h TYR 64 Ca -0.12 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1bhb h TYR 64 Cb 0.93 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1bhb h TYR 64 CO -0.02 0.96 0.00 0.41 -1.05 0.00 0.00 178.16 178.46 1bhb n GLY 65 N 0.04 3.95 0.17 3.88 0.00 0.72 -4.47 105.19 109.48 1bhb n GLY 65 Ca -0.02 -1.29 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 0.09 0.00 0.99 3.38 -1.71 0.20 115.31 118.25 1bhb h LEU 66 Ca 0.00 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1bhb h LEU 66 Cb 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1bhb h LEU 66 CO 0.00 0.55 -1.39 0.74 0.09 0.00 0.00 178.44 178.43 1bhb h THR 67 N 0.07 0.94 -0.18 0.22 2.02 -1.90 -3.16 112.91 110.93 1bhb h THR 67 Ca 0.00 -2.64 -0.03 0.00 0.77 0.00 0.00 66.41 64.51 1bhb h THR 67 Cb 0.86 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1bhb h THR 67 CO 0.07 0.54 -0.01 -0.03 0.37 0.00 0.00 175.52 176.45 1bhb h MET 68 N 0.00 0.32 -4.78 6.66 -1.53 -0.13 0.78 114.93 116.25 1bhb h MET 68 Ca -0.18 -0.11 -0.31 0.00 -3.44 0.00 0.00 59.70 55.66 1bhb h MET 68 Cb 1.81 -0.03 -0.21 0.00 -0.55 0.00 0.00 31.60 32.62 1bhb h MET 68 CO 0.08 0.55 -0.75 0.14 0.14 0.00 0.00 176.91 177.08 1bhb s VAL 69 N -4.89 0.70 -2.00 -5.77 -7.23 5.47 1.61 120.40 108.28 1bhb s VAL 69 Ca -0.14 -1.16 0.24 0.00 -1.81 0.00 0.00 61.98 59.11 1bhb s VAL 69 Cb 0.06 -0.75 0.68 0.00 0.56 0.00 0.00 36.38 36.93 1bhb s VAL 69 CO 0.73 -0.35 1.80 -0.81 -0.31 0.00 0.00 175.10 176.15