#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 -0.34 0.00 -0.00 -2.05 0.11 115.11 112.84 1bhb h GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1bhb h GLN 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1bhb h GLN 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 178.83 179.27 1bhb n ILE 4 N -2.97 0.46 -3.98 2.39 -0.00 -1.26 -4.92 119.36 109.08 1bhb n ILE 4 Ca -0.01 -0.45 -0.31 0.00 -0.00 0.00 0.00 62.75 61.97 1bhb n ILE 4 Cb 0.17 0.22 -0.03 0.00 -0.00 0.00 0.00 39.64 40.00 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 0.49 -1.45 0.33 7.28 5.66 0.40 -4.80 114.28 122.19 1bhb n THR 5 Ca 0.11 -0.43 0.10 0.00 -3.05 0.00 0.00 64.05 60.79 1bhb n THR 5 Cb 0.29 -1.29 -0.15 0.00 -1.55 0.00 0.00 70.33 67.63 1bhb n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bhb n GLY 6 N -2.05 -0.98 3.49 1.09 0.00 -1.26 -4.99 105.19 100.49 1bhb n GLY 6 Ca -0.17 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.31 1.08 -0.08 1.61 1.70 -1.26 -5.13 118.95 113.56 1bhb s ARG 7 Ca -0.03 0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 1bhb s ARG 7 Cb 0.14 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.99 1bhb s ARG 7 CO 0.88 -0.36 1.50 -1.25 -1.08 0.00 0.00 175.30 174.98 1bhb s PRO 8 N -1.69 4.21 0.45 3.89 0.05 -1.26 -4.83 135.00 135.82 1bhb s PRO 8 Ca -0.09 2.00 0.30 0.00 0.05 0.00 0.00 61.00 63.26 1bhb s PRO 8 Cb -0.00 -3.85 1.29 0.00 0.05 0.00 0.00 34.50 31.98 1bhb s PRO 8 CO 0.05 -0.76 1.90 1.05 0.05 0.00 0.00 177.00 179.29 1bhb h GLU 9 N 8.86 0.00 -0.18 4.56 -0.00 -1.90 -0.91 114.58 125.01 1bhb h GLU 9 Ca -0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 58.88 1bhb h GLU 9 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1bhb h GLU 9 CO 0.95 0.00 -0.40 2.35 -0.00 0.00 0.00 179.01 181.91 1bhb h TRP 10 N 0.00 0.76 -0.02 2.06 7.01 -1.77 0.15 115.95 124.14 1bhb h TRP 10 Ca 0.00 -0.28 -0.17 0.00 2.11 0.00 0.00 58.89 60.54 1bhb h TRP 10 Cb 0.42 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1bhb h TRP 10 CO 0.00 1.04 -0.77 0.82 -2.79 0.00 0.00 178.44 176.74 1bhb h ILE 11 N 0.26 1.47 -0.27 2.65 1.08 -1.63 -1.22 117.51 119.85 1bhb h ILE 11 Ca 0.00 -2.42 -0.13 0.00 -0.39 0.00 0.00 64.86 61.93 1bhb h ILE 11 Cb 1.01 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 1bhb h ILE 11 CO 0.09 0.70 -0.36 -0.25 -0.69 0.00 0.00 178.15 177.65 1bhb h TRP 12 N 0.11 0.69 -0.29 1.37 2.91 -1.09 0.14 115.95 119.79 1bhb h TRP 12 Ca -0.03 -0.19 -0.15 0.00 1.13 0.00 0.00 58.89 59.66 1bhb h TRP 12 Cb 1.35 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1bhb h TRP 12 CO 0.02 0.87 -0.40 1.25 -1.03 0.00 0.00 178.44 179.15 1bhb h LEU 13 N 0.50 0.86 -0.93 0.65 5.85 -0.54 -0.14 115.31 121.56 1bhb h LEU 13 Ca 0.05 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1bhb h LEU 13 Cb 0.85 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1bhb h LEU 13 CO 0.07 1.19 -0.10 0.00 -0.34 0.00 0.00 178.44 179.26 1bhb h ALA 14 N 0.69 1.10 -0.28 1.25 0.00 -0.99 0.76 119.26 121.80 1bhb h ALA 14 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1bhb h ALA 14 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1bhb h ALA 14 CO 0.09 0.56 -0.12 1.25 0.00 0.00 0.00 179.25 181.04 1bhb h LEU 15 N 0.61 0.59 -1.06 0.00 5.85 -0.55 -0.29 115.31 120.47 1bhb h LEU 15 Ca 0.11 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1bhb h LEU 15 Cb 0.54 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1bhb h LEU 15 CO 0.03 0.86 -0.03 1.23 -0.34 0.00 0.00 178.44 180.19 1bhb h GLY 16 N 0.33 0.67 1.11 3.75 0.00 -0.71 0.45 103.07 108.67 1bhb h GLY 16 Ca 0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 1bhb h GLY 16 CO 0.04 0.41 -0.43 -0.84 0.00 0.00 0.00 176.54 175.71 1bhb h THR 17 N 0.59 1.28 -0.50 4.70 2.02 -0.69 -0.84 112.91 119.47 1bhb h THR 17 Ca 0.12 -1.61 -0.10 0.00 0.77 0.00 0.00 66.41 65.59 1bhb h THR 17 Cb 0.42 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1bhb h THR 17 CO 0.02 0.53 -0.06 0.00 0.37 0.00 0.00 175.52 176.38 1bhb h ALA 18 N 0.72 0.69 -0.43 6.16 0.00 -0.73 -0.03 119.26 125.63 1bhb h ALA 18 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1bhb h ALA 18 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bhb h ALA 18 CO 0.10 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.36 1bhb h LEU 19 N 0.79 0.58 -0.97 0.00 6.46 -0.83 -0.23 115.31 121.11 1bhb h LEU 19 Ca 0.14 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1bhb h LEU 19 Cb 0.61 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1bhb h LEU 19 CO 0.04 0.55 0.19 -0.03 -0.62 0.00 0.00 178.44 178.57 1bhb h MET 20 N 0.56 0.94 -0.22 1.25 4.05 -0.95 0.43 114.93 120.99 1bhb h MET 20 Ca 0.15 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1bhb h MET 20 Cb 0.14 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1bhb h MET 20 CO -0.02 0.81 0.04 0.78 0.23 0.00 0.00 176.91 178.75 1bhb h GLY 21 N 1.02 0.40 1.28 1.39 0.00 -0.55 0.40 103.07 107.00 1bhb h GLY 21 Ca 0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1bhb h GLY 21 CO -0.01 0.25 0.07 1.41 0.00 0.00 0.00 176.54 178.26 1bhb h LEU 22 N 0.17 0.84 -0.93 3.11 3.38 -0.83 -0.66 115.31 120.40 1bhb h LEU 22 Ca 0.07 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1bhb h LEU 22 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bhb h LEU 22 CO 0.00 0.86 -0.15 1.23 0.09 0.00 0.00 178.44 180.48 1bhb h GLY 23 N 1.00 0.67 1.13 0.83 0.00 -0.68 -0.35 103.07 105.65 1bhb h GLY 23 Ca 0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1bhb h GLY 23 CO 0.01 0.46 -0.50 -0.84 0.00 0.00 0.00 176.54 175.67 1bhb h THR 24 N 0.56 1.28 -0.42 4.70 2.02 -0.39 -0.80 112.91 119.85 1bhb h THR 24 Ca 0.09 -1.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.54 1bhb h THR 24 Cb 0.58 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1bhb h THR 24 CO 0.04 0.55 0.05 -0.07 0.37 0.00 0.00 175.52 176.46 1bhb h LEU 25 N 0.66 0.68 -0.69 2.58 3.38 -0.92 0.30 115.31 121.30 1bhb h LEU 25 Ca 0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1bhb h LEU 25 Cb 1.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1bhb h LEU 25 CO 0.11 0.78 0.22 0.22 0.09 0.00 0.00 178.44 179.87 1bhb h TYR 26 N 0.56 1.11 -0.13 1.13 3.20 -1.02 -0.62 116.97 121.20 1bhb h TYR 26 Ca 0.13 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1bhb h TYR 26 Cb 0.40 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1bhb h TYR 26 CO 0.03 0.88 -0.37 0.35 -1.64 0.00 0.00 178.16 177.41 1bhb h PHE 27 N 1.01 0.30 -0.24 -3.82 3.57 -0.93 0.80 116.94 117.64 1bhb h PHE 27 Ca 0.22 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1bhb h PHE 27 Cb 0.29 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1bhb h PHE 27 CO 0.02 0.60 -0.26 1.25 -2.23 0.00 0.00 178.31 177.69 1bhb h LEU 28 N 0.23 0.65 -0.72 0.59 6.46 -0.51 0.65 115.31 122.66 1bhb h LEU 28 Ca 0.03 -0.48 -0.11 0.00 -0.12 0.00 0.00 57.88 57.19 1bhb h LEU 28 Cb 0.76 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1bhb h LEU 28 CO 0.06 1.01 -0.25 0.58 -0.62 0.00 0.00 178.44 179.21 1bhb h VAL 29 N 0.32 1.27 -0.36 1.05 2.07 -0.94 0.47 116.25 120.13 1bhb h VAL 29 Ca 0.04 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 1bhb h VAL 29 Cb 0.83 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1bhb h VAL 29 CO 0.06 0.45 0.01 0.50 0.02 0.00 0.00 177.57 178.61 1bhb h LYS 30 N 0.61 0.64 -0.51 1.57 1.63 -0.72 0.10 116.57 119.89 1bhb h LYS 30 Ca 0.08 -0.20 -0.09 0.00 -0.85 0.00 0.00 60.65 59.60 1bhb h LYS 30 Cb 0.75 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1bhb h LYS 30 CO 0.06 0.74 -0.03 0.78 -3.45 0.00 0.00 179.45 177.55 1bhb h GLY 31 N 0.46 0.95 1.68 5.01 0.00 -0.65 -2.74 103.07 107.77 1bhb h GLY 31 Ca 0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1bhb h GLY 31 CO 0.02 0.62 -0.44 1.98 0.00 0.00 0.00 176.54 178.72 1bhb h MET 32 N 0.81 0.35 0.00 4.80 1.85 -0.69 -3.48 114.93 118.57 1bhb h MET 32 Ca 0.15 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1bhb h MET 32 Cb 0.52 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1bhb h MET 32 CO 0.03 0.73 0.00 0.41 -0.40 0.00 0.00 176.91 177.68 1bhb n GLY 33 N -0.05 0.82 3.41 1.39 0.00 0.15 -5.08 105.19 105.83 1bhb n GLY 33 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.02 1.61 3.14 -0.09 -5.02 118.33 117.98 1bhb n VAL 34 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1bhb n VAL 34 Cb 0.00 -0.37 -0.08 0.00 -1.06 0.00 0.00 33.84 32.33 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 0.99 -0.54 -0.02 1.45 0.13 -2.06 -3.48 132.00 128.46 1bhb h PRO 37 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1bhb h PRO 37 Cb 0.13 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1bhb h PRO 37 CO 0.00 -0.36 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.13 1bhb n ASP 38 N -5.45 2.57 0.12 1.44 8.00 -1.26 -4.20 116.55 117.77 1bhb n ASP 38 Ca -0.05 -1.78 -0.01 0.00 0.71 0.00 0.00 54.79 53.66 1bhb n ASP 38 Cb 0.38 0.04 0.08 0.00 -0.02 0.00 0.00 41.12 41.59 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 3.79 0.70 0.00 2.24 0.00 -2.07 -0.85 119.26 123.08 1bhb h ALA 39 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1bhb h ALA 39 Cb 0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1bhb h ALA 39 CO 0.00 0.83 -0.74 1.57 0.00 0.00 0.00 179.25 180.91 1bhb h LYS 40 N 0.00 0.00 0.00 0.00 2.10 -2.04 -3.26 116.57 113.38 1bhb h LYS 40 Ca -0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1bhb h LYS 40 Cb 1.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 1bhb h LYS 40 CO 0.09 0.20 -0.96 0.87 -2.00 0.00 0.00 179.45 177.64 1bhb h LYS 41 N 0.00 0.00 -0.96 0.07 1.57 -1.71 -3.31 116.57 112.23 1bhb h LYS 41 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1bhb h LYS 41 Cb 1.24 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.48 1bhb h LYS 41 CO 0.03 0.46 0.62 0.35 -0.57 0.00 0.00 179.45 180.34 1bhb h PHE 42 N 0.00 1.11 -0.54 -1.35 3.57 -1.19 0.89 116.94 119.43 1bhb h PHE 42 Ca -0.08 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 1bhb h PHE 42 Cb 1.52 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1bhb h PHE 42 CO 0.00 0.54 -0.06 1.88 -2.23 0.00 0.00 178.31 178.44 1bhb h TYR 43 N 1.06 1.10 -0.51 0.41 0.05 -1.70 -1.24 116.97 116.15 1bhb h TYR 43 Ca 0.43 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.92 1bhb h TYR 43 Cb 0.28 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1bhb h TYR 43 CO -0.00 1.01 -0.02 0.00 -1.05 0.00 0.00 178.16 178.10 1bhb h ALA 44 N 0.94 1.01 -0.40 3.88 0.00 -1.39 -0.89 119.26 122.42 1bhb h ALA 44 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1bhb h ALA 44 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1bhb h ALA 44 CO 0.04 0.61 0.14 0.82 0.00 0.00 0.00 179.25 180.85 1bhb h ILE 45 N 0.80 1.21 0.00 0.00 2.04 -0.59 0.15 117.51 121.11 1bhb h ILE 45 Ca 0.15 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1bhb h ILE 45 Cb 0.50 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1bhb h ILE 45 CO 0.03 0.23 0.00 0.71 0.00 0.00 0.00 178.15 179.12 1bhb h THR 46 N 0.49 0.00 0.00 -0.27 1.35 -0.90 0.16 112.91 113.75 1bhb h THR 46 Ca 0.13 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1bhb h THR 46 Cb 0.23 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1bhb h THR 46 CO -0.01 0.00 -1.04 0.41 -0.25 0.00 0.00 175.52 174.64 1bhb n THR 47 N -2.93 0.59 0.88 6.82 -1.04 -0.37 -3.71 114.28 114.53 1bhb n THR 47 Ca 0.00 -0.54 0.10 0.00 -2.04 0.00 0.00 64.05 61.57 1bhb n THR 47 Cb 0.24 -0.32 0.05 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.64 2.37 -0.00 -4.42 7.99 0.42 -4.24 117.00 116.48 1bhb n LEU 48 Ca -0.00 -0.90 -0.12 0.00 -0.01 0.00 0.00 56.01 54.98 1bhb n LEU 48 Cb 0.55 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.78 1bhb n LEU 48 CO 0.40 0.42 0.77 0.58 -1.51 0.00 0.00 177.39 178.05 1bhb h VAL 49 N 3.29 1.19 0.00 4.08 2.07 -0.80 -0.13 116.25 125.95 1bhb h VAL 49 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1bhb h VAL 49 Cb 0.79 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1bhb h VAL 49 CO 0.00 0.16 0.00 1.55 0.02 0.00 0.00 177.57 179.30 1bhb h PRO 50 N -0.15 0.00 -0.08 1.57 0.13 -1.77 -1.80 132.00 129.90 1bhb h PRO 50 Ca 0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1bhb h PRO 50 Cb 0.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.38 1bhb h PRO 50 CO 0.00 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 177.20 1bhb h ALA 51 N 2.03 0.18 -0.18 -0.56 0.00 -1.66 -0.77 119.26 118.30 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 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bhb h ALA 51 CO 0.00 0.41 -0.64 0.82 0.00 0.00 0.00 179.25 179.84 1bhb h ILE 52 N 0.13 1.31 -0.58 0.00 2.04 -0.95 -1.05 117.51 118.41 1bhb h ILE 52 Ca -0.05 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 1bhb h ILE 52 Cb 1.22 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 1bhb h ILE 52 CO 0.12 0.59 0.21 0.00 0.00 0.00 0.00 178.15 179.07 1bhb h ALA 53 N 0.80 0.75 -0.43 1.87 0.00 -1.34 -0.29 119.26 120.62 1bhb h ALA 53 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1bhb h ALA 53 Cb 1.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1bhb h ALA 53 CO 0.13 0.39 -0.19 0.35 0.00 0.00 0.00 179.25 179.92 1bhb h PHE 54 N 0.80 0.95 -0.47 0.00 3.57 -1.05 -1.10 116.94 119.64 1bhb h PHE 54 Ca 0.19 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1bhb h PHE 54 Cb 0.24 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1bhb h PHE 54 CO 0.01 0.96 0.15 1.15 -2.23 0.00 0.00 178.31 178.35 1bhb h THR 55 N 0.74 1.23 -0.35 4.41 2.02 -0.83 0.11 112.91 120.23 1bhb h THR 55 Ca 0.11 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 1bhb h THR 55 Cb 0.72 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1bhb h THR 55 CO 0.06 0.27 0.03 0.24 0.37 0.00 0.00 175.52 176.49 1bhb h MET 56 N 0.63 0.60 -0.58 6.66 2.86 -0.92 -0.41 114.93 123.76 1bhb h MET 56 Ca 0.15 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1bhb h MET 56 Cb 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1bhb h MET 56 CO -0.01 0.70 0.13 -0.92 1.06 0.00 0.00 176.91 177.87 1bhb h TYR 57 N 0.42 0.95 -0.46 -0.22 3.20 -1.05 -0.70 116.97 119.10 1bhb h TYR 57 Ca 0.10 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1bhb h TYR 57 Cb 0.41 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1bhb h TYR 57 CO 0.03 0.79 -0.11 1.25 -1.64 0.00 0.00 178.16 178.48 1bhb h LEU 58 N 0.87 0.89 -0.81 2.82 6.46 -0.61 0.05 115.31 124.99 1bhb h LEU 58 Ca 0.19 -0.36 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1bhb h LEU 58 Cb 0.33 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 1bhb h LEU 58 CO 0.00 1.05 0.40 -1.28 -0.62 0.00 0.00 178.44 177.99 1bhb h SER 59 N 0.72 1.06 -0.41 1.25 0.87 -0.67 -0.49 113.55 115.89 1bhb h SER 59 Ca 0.12 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1bhb h SER 59 Cb 0.66 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1bhb h SER 59 CO 0.05 0.89 -0.16 0.24 -0.53 0.00 0.00 176.83 177.32 1bhb h MET 60 N 1.15 0.83 -0.24 2.24 2.86 -0.90 0.34 114.93 121.21 1bhb h MET 60 Ca 0.28 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1bhb h MET 60 Cb 0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1bhb h MET 60 CO -0.04 0.97 0.16 1.25 1.06 0.00 0.00 176.91 180.31 1bhb h LEU 61 N 0.64 0.27 -1.00 1.22 7.12 -0.63 -0.83 115.31 122.11 1bhb h LEU 61 Ca 0.10 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 1bhb h LEU 61 Cb 0.70 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1bhb h LEU 61 CO 0.05 0.20 0.06 0.25 -0.13 0.00 0.00 178.44 178.87 1bhb h LEU 62 N 0.32 0.75 -0.50 2.25 5.85 -1.01 -2.69 115.31 120.28 1bhb h LEU 62 Ca 0.09 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1bhb h LEU 62 Cb -0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1bhb h LEU 62 CO -0.02 0.77 0.27 1.23 -0.34 0.00 0.00 178.44 180.35 1bhb h GLY 63 N 0.96 0.70 -1.34 3.75 0.00 -0.10 -3.42 103.07 103.61 1bhb h GLY 63 Ca 0.16 -0.19 -0.51 0.00 0.00 0.00 0.00 47.33 46.78 1bhb h GLY 63 CO 0.01 0.14 0.38 -0.19 0.00 0.00 0.00 176.54 176.88 1bhb s TYR 64 N -6.13 3.22 0.00 5.60 2.02 -0.39 -4.82 117.35 116.85 1bhb s TYR 64 Ca -0.13 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.96 1bhb s TYR 64 Cb 0.13 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1bhb s TYR 64 CO 0.74 -1.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 1bhb n GLY 65 N -2.15 -0.06 0.12 0.71 0.00 -1.26 -4.93 105.19 97.62 1bhb n GLY 65 Ca 0.07 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 0.42-10.23 0.99 4.07 -1.93 -3.47 115.31 105.16 1bhb h LEU 66 Ca 0.00 -0.88 -0.53 0.00 0.08 0.00 0.00 57.88 56.55 1bhb h LEU 66 Cb 0.00 -0.14 0.17 0.00 1.08 0.00 0.00 40.66 41.78 1bhb h LEU 66 CO 0.00 1.57 0.31 0.28 -1.08 0.00 0.00 178.44 179.52 1bhb s THR 67 N -2.47 2.28 0.19 0.22 -1.32 -1.26 -4.90 115.64 108.38 1bhb s THR 67 Ca -0.18 0.11 0.27 0.00 -1.21 0.00 0.00 61.69 60.68 1bhb s THR 67 Cb 0.04 -2.44 0.28 0.00 -1.51 0.00 0.00 72.50 68.87 1bhb s THR 67 CO 0.79 -0.10 1.91 0.00 -2.21 0.00 0.00 174.62 175.01 1bhb h MET 68 N -1.08 0.00 -6.25 7.08 -0.00 -2.03 -3.42 114.93 109.22 1bhb h MET 68 Ca -0.45 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 58.69 1bhb h MET 68 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.87 1bhb h MET 68 CO 0.46 0.16 1.17 0.08 -0.00 0.00 0.00 176.91 178.79 1bhb s VAL 69 N -3.76 3.49 -2.00 -0.10 1.01 -1.26 -4.71 120.40 113.06 1bhb s VAL 69 Ca -0.00 0.56 0.24 0.00 0.00 0.00 0.00 61.98 62.78 1bhb s VAL 69 Cb 0.11 -3.45 0.69 0.00 0.00 0.00 0.00 36.38 33.72 1bhb s VAL 69 CO 0.61 -0.15 1.80 -0.81 0.00 0.00 0.00 175.10 176.55