#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha s GLN 3 N 0.00 0.51 -1.18 0.00 -0.21 -1.26 -5.08 119.66 112.44 1bha s GLN 3 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.47 1bha s GLN 3 Cb 0.00 -0.19 0.21 0.00 1.00 0.00 0.00 33.01 34.02 1bha s GLN 3 CO 0.00 0.02 1.34 -0.89 -2.12 0.00 0.00 175.29 173.64 1bha n ILE 4 N 1.33 4.36 1.36 1.08 2.08 -1.26 -4.72 119.36 123.59 1bha n ILE 4 Ca -0.22 -4.93 0.14 0.00 0.56 0.00 0.00 62.75 58.29 1bha n ILE 4 Cb 0.55 -2.50 0.49 0.00 -0.75 0.00 0.00 39.64 37.43 1bha n ILE 4 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1bha n THR 5 N 3.99 0.00 -0.07 1.39 5.66 -1.26 -3.84 114.28 120.16 1bha n THR 5 Ca 0.33 -0.13 -0.05 0.00 -3.05 0.00 0.00 64.05 61.15 1bha n THR 5 Cb 0.41 0.25 0.15 0.00 -1.55 0.00 0.00 70.33 69.59 1bha n THR 5 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bha h GLY 6 N 4.93 0.75 -6.08 1.09 0.00 -2.03 -3.42 103.07 98.31 1bha h GLY 6 Ca 0.00 -0.57 -0.62 0.00 0.00 0.00 0.00 47.33 46.14 1bha h GLY 6 CO 0.00 0.53 -0.52 0.50 0.00 0.00 0.00 176.54 177.05 1bha s ARG 7 N -4.73 3.96 0.47 4.80 1.81 -1.25 -4.97 118.95 119.03 1bha s ARG 7 Ca -0.09 -0.25 0.27 0.00 -1.72 0.00 0.00 55.73 53.94 1bha s ARG 7 Cb 0.14 -3.29 0.86 0.00 -0.45 0.00 0.00 34.95 32.21 1bha s ARG 7 CO 0.81 0.38 1.80 -1.00 -0.68 0.00 0.00 175.30 176.61 1bha h PRO 8 N 6.35 0.00 -0.09 3.54 0.13 -1.89 -2.92 132.00 137.11 1bha h PRO 8 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1bha h PRO 8 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bha h PRO 8 CO 0.71 0.10 -0.58 0.93 -0.23 0.00 0.00 178.00 178.93 1bha h GLU 9 N 0.00 0.29 -0.14 0.86 5.08 -1.94 -0.06 114.58 118.66 1bha h GLU 9 Ca -0.00 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1bha h GLU 9 Cb 0.78 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1bha h GLU 9 CO 0.01 0.78 -0.61 2.35 -1.00 0.00 0.00 179.01 180.55 1bha h TRP 10 N 0.22 0.61 -0.28 4.33 7.01 -1.80 0.25 115.95 126.28 1bha h TRP 10 Ca -0.00 -0.23 -0.16 0.00 2.11 0.00 0.00 58.89 60.61 1bha h TRP 10 Cb 1.08 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.02 1bha h TRP 10 CO 0.02 0.96 -0.47 0.82 -2.79 0.00 0.00 178.44 176.98 1bha h ILE 11 N 0.35 1.29 -0.33 2.65 1.08 -1.39 0.42 117.51 121.58 1bha h ILE 11 Ca -0.01 -1.67 -0.12 0.00 -0.39 0.00 0.00 64.86 62.68 1bha h ILE 11 Cb 1.15 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 1bha h ILE 11 CO 0.11 0.54 -0.28 -0.25 -0.69 0.00 0.00 178.15 177.57 1bha h TRP 12 N 0.60 0.80 -0.36 1.37 2.91 -0.84 0.73 115.95 121.17 1bha h TRP 12 Ca 0.03 -0.20 -0.06 0.00 1.13 0.00 0.00 58.89 59.79 1bha h TRP 12 Cb 1.04 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 1bha h TRP 12 CO 0.06 0.90 -0.03 1.25 -1.03 0.00 0.00 178.44 179.59 1bha h LEU 13 N 0.60 0.64 -0.91 0.65 6.46 -0.69 0.48 115.31 122.53 1bha h LEU 13 Ca 0.07 -0.33 -0.06 0.00 -0.12 0.00 0.00 57.88 57.45 1bha h LEU 13 Cb 0.78 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1bha h LEU 13 CO 0.06 0.81 0.16 0.00 -0.62 0.00 0.00 178.44 178.86 1bha h ALA 14 N 0.85 1.11 -0.63 1.25 0.00 -0.67 0.22 119.26 121.39 1bha h ALA 14 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1bha h ALA 14 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bha h ALA 14 CO 0.02 0.60 0.05 1.25 0.00 0.00 0.00 179.25 181.18 1bha h LEU 15 N 0.92 1.04 -0.60 0.00 6.46 -0.56 0.01 115.31 122.58 1bha h LEU 15 Ca 0.20 -0.28 -0.09 0.00 -0.12 0.00 0.00 57.88 57.59 1bha h LEU 15 Cb 0.31 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1bha h LEU 15 CO -0.00 1.07 0.04 1.23 -0.62 0.00 0.00 178.44 180.15 1bha h GLY 16 N 0.99 1.12 1.54 3.75 0.00 -0.33 0.14 103.07 110.28 1bha h GLY 16 Ca 0.19 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1bha h GLY 16 CO 0.02 0.74 -0.30 -0.84 0.00 0.00 0.00 176.54 176.16 1bha h THR 17 N 0.94 1.28 -0.08 4.70 2.02 -0.72 -0.39 112.91 120.65 1bha h THR 17 Ca 0.18 -1.37 -0.18 0.00 0.77 0.00 0.00 66.41 65.80 1bha h THR 17 Cb 0.51 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1bha h THR 17 CO 0.02 0.43 -0.72 0.00 0.37 0.00 0.00 175.52 175.63 1bha h ALA 18 N 1.23 0.60 0.22 6.16 0.00 -0.70 0.92 119.26 127.69 1bha h ALA 18 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1bha h ALA 18 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bha h ALA 18 CO 0.06 0.76 -0.11 1.25 0.00 0.00 0.00 179.25 181.21 1bha h LEU 19 N 0.29 -0.25 -0.92 0.00 5.85 -0.41 0.26 115.31 120.12 1bha h LEU 19 Ca -0.03 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1bha h LEU 19 Cb 1.29 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1bha h LEU 19 CO 0.12 0.09 0.14 0.24 -0.34 0.00 0.00 178.44 178.69 1bha h MET 20 N -0.61 0.93 -0.65 1.25 2.86 -1.10 -0.74 114.93 116.87 1bha h MET 20 Ca -0.03 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1bha h MET 20 Cb 0.44 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1bha h MET 20 CO 0.05 0.84 0.22 0.78 1.06 0.00 0.00 176.91 179.85 1bha h GLY 21 N 1.02 1.07 1.17 8.32 0.00 -0.74 -0.04 103.07 113.86 1bha h GLY 21 Ca 0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1bha h GLY 21 CO 0.00 0.58 -0.19 -2.00 0.00 0.00 0.00 176.54 174.93 1bha h LEU 22 N 0.93 0.98 -0.58 3.11 5.85 -0.62 -0.64 115.31 124.33 1bha h LEU 22 Ca 0.21 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1bha h LEU 22 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1bha h LEU 22 CO -0.01 1.13 0.25 1.23 -0.34 0.00 0.00 178.44 180.71 1bha h GLY 23 N 0.91 0.92 1.21 3.75 0.00 -0.78 0.39 103.07 109.48 1bha h GLY 23 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1bha h GLY 23 CO 0.06 0.46 -0.20 -0.84 0.00 0.00 0.00 176.54 176.02 1bha h THR 24 N 0.80 1.27 -0.35 4.70 2.02 -0.85 -0.57 112.91 119.93 1bha h THR 24 Ca 0.20 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1bha h THR 24 Cb 0.17 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1bha h THR 24 CO -0.02 0.46 0.13 0.25 0.37 0.00 0.00 175.52 176.71 1bha h LEU 25 N 0.79 0.49 -0.93 2.58 5.85 -0.79 -0.70 115.31 122.59 1bha h LEU 25 Ca 0.11 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1bha h LEU 25 Cb 0.75 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1bha h LEU 25 CO 0.06 0.53 0.13 0.22 -0.34 0.00 0.00 178.44 179.04 1bha h TYR 26 N 0.42 0.95 -0.58 1.25 3.20 -0.78 -1.17 116.97 120.26 1bha h TYR 26 Ca 0.12 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1bha h TYR 26 Cb 0.20 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1bha h TYR 26 CO -0.00 0.79 0.07 0.35 -1.64 0.00 0.00 178.16 177.73 1bha h PHE 27 N 0.88 1.00 -0.30 -3.82 3.57 -0.74 0.12 116.94 117.65 1bha h PHE 27 Ca 0.19 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1bha h PHE 27 Cb 0.33 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1bha h PHE 27 CO 0.02 0.87 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.78 1bha h LEU 28 N 0.89 0.63 -1.13 0.59 3.38 -0.74 -0.38 115.31 118.54 1bha h LEU 28 Ca 0.18 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1bha h LEU 28 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1bha h LEU 28 CO 0.01 0.88 0.02 0.58 0.09 0.00 0.00 178.44 180.02 1bha h VAL 29 N 0.37 1.21 -0.47 1.22 2.07 -0.98 -0.13 116.25 119.56 1bha h VAL 29 Ca 0.07 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1bha h VAL 29 Cb 0.62 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1bha h VAL 29 CO 0.04 0.29 -0.06 0.50 0.02 0.00 0.00 177.57 178.36 1bha h LYS 30 N 0.59 0.86 -0.55 1.57 3.64 -0.48 0.15 116.57 122.35 1bha h LYS 30 Ca 0.13 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1bha h LYS 30 Cb 0.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1bha h LYS 30 CO 0.01 0.94 0.12 0.78 -2.27 0.00 0.00 179.45 179.03 1bha h GLY 31 N 0.71 0.96 1.72 5.01 0.00 -0.49 0.13 103.07 111.11 1bha h GLY 31 Ca 0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1bha h GLY 31 CO 0.04 0.57 -0.50 -0.33 0.00 0.00 0.00 176.54 176.32 1bha h MET 32 N 0.79 0.30 -0.04 4.80 2.86 -0.89 -3.00 114.93 119.76 1bha h MET 32 Ca 0.17 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1bha h MET 32 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1bha h MET 32 CO 0.00 0.73 -0.77 0.78 1.06 0.00 0.00 176.91 178.71 1bha h GLY 33 N 1.29 0.33 0.00 8.32 0.00 -0.43 -3.51 103.07 109.07 1bha h GLY 33 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1bha h GLY 33 CO 0.08 0.44 0.00 1.55 0.00 0.00 0.00 176.54 178.61 1bha n VAL 34 N -3.77 0.00 0.00 4.60 3.14 0.42 -5.07 118.33 117.64 1bha n VAL 34 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1bha n VAL 34 Cb 0.73 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 1bha n VAL 34 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bha n PRO 37 N -0.03 0.00 0.00 1.45 -0.04 -1.26 -5.12 135.00 130.00 1bha n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bha n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bha n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bha n ASP 38 N 3.69 0.00 -0.28 3.54 8.00 -1.26 -4.85 116.55 125.39 1bha n ASP 38 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1bha n ASP 38 Cb 0.00 0.34 0.17 0.00 -0.02 0.00 0.00 41.12 41.61 1bha n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bha h ALA 39 N 0.00 1.34 -0.20 2.24 0.00 -2.05 0.19 119.26 120.79 1bha h ALA 39 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1bha h ALA 39 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1bha h ALA 39 CO 0.00 0.58 -0.48 0.87 0.00 0.00 0.00 179.25 180.22 1bha h LYS 40 N 1.16 0.52 -0.39 0.00 1.79 -1.99 -1.07 116.57 116.60 1bha h LYS 40 Ca 0.31 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1bha h LYS 40 Cb -0.08 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1bha h LYS 40 CO -0.06 0.89 0.05 0.87 -1.08 0.00 0.00 179.45 180.12 1bha h LYS 41 N 0.41 0.65 -0.54 3.15 1.57 -1.57 0.18 116.57 120.42 1bha h LYS 41 Ca 0.02 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1bha h LYS 41 Cb 1.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1bha h LYS 41 CO 0.09 0.71 0.14 0.35 -0.57 0.00 0.00 179.45 180.17 1bha h PHE 42 N 0.49 0.91 -0.69 -1.35 3.57 -0.53 -1.35 116.94 117.99 1bha h PHE 42 Ca 0.12 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1bha h PHE 42 Cb 0.39 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1bha h PHE 42 CO 0.03 0.79 0.20 -0.92 -2.23 0.00 0.00 178.31 176.18 1bha h TYR 43 N 0.77 1.12 -0.36 0.41 3.20 -1.03 0.62 116.97 121.70 1bha h TYR 43 Ca 0.17 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1bha h TYR 43 Cb 0.33 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1bha h TYR 43 CO 0.02 0.90 0.18 0.00 -1.64 0.00 0.00 178.16 177.62 1bha h ALA 44 N 1.09 0.46 -0.60 1.82 0.00 -0.74 0.10 119.26 121.40 1bha h ALA 44 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1bha h ALA 44 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1bha h ALA 44 CO -0.00 0.02 0.20 0.82 0.00 0.00 0.00 179.25 180.28 1bha h ILE 45 N 0.44 1.23 0.00 0.00 2.04 -0.98 1.00 117.51 121.24 1bha h ILE 45 Ca 0.12 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1bha h ILE 45 Cb 0.11 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1bha h ILE 45 CO -0.02 0.30 -0.08 0.74 0.00 0.00 0.00 178.15 179.09 1bha h THR 46 N 0.88 0.21 0.00 -0.27 2.02 -0.26 0.70 112.91 116.20 1bha h THR 46 Ca 0.20 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1bha h THR 46 Cb 0.24 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1bha h THR 46 CO -0.01 0.08 -0.97 0.41 0.37 0.00 0.00 175.52 175.40 1bha n THR 47 N -3.22 0.36 0.90 3.16 -1.04 0.30 -3.72 114.28 111.03 1bha n THR 47 Ca 0.00 -0.37 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1bha n THR 47 Cb 0.34 -0.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.78 1bha n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bha n LEU 48 N -2.26 2.02 0.00 -4.42 7.99 0.20 -4.19 117.00 116.33 1bha n LEU 48 Ca 0.01 -0.79 -0.12 0.00 -0.01 0.00 0.00 56.01 55.10 1bha n LEU 48 Cb 0.48 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.72 1bha n LEU 48 CO 0.39 0.37 0.77 0.58 -1.51 0.00 0.00 177.39 177.99 1bha h VAL 49 N 2.49 1.19 0.00 4.08 2.07 -0.96 -0.89 116.25 124.23 1bha h VAL 49 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1bha h VAL 49 Cb 0.72 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1bha h VAL 49 CO 0.00 0.15 0.00 1.55 0.02 0.00 0.00 177.57 179.29 1bha h PRO 50 N -0.17 0.00 -0.07 1.57 0.13 -1.69 -1.65 132.00 130.13 1bha h PRO 50 Ca 0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1bha h PRO 50 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1bha h PRO 50 CO 0.00 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.51 1bha h ALA 51 N 2.14 0.12 -0.16 -0.56 0.00 -0.83 -0.78 119.26 119.18 1bha h ALA 51 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1bha h ALA 51 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bha h ALA 51 CO 0.00 0.13 -0.63 0.82 0.00 0.00 0.00 179.25 179.58 1bha h ILE 52 N -0.21 1.32 -0.48 0.00 5.03 -1.11 -1.33 117.51 120.74 1bha h ILE 52 Ca -0.01 -1.90 -0.01 0.00 -0.12 0.00 0.00 64.86 62.81 1bha h ILE 52 Cb 0.90 1.87 -0.02 0.00 -3.03 0.00 0.00 36.82 36.54 1bha h ILE 52 CO 0.06 0.59 0.24 0.00 -0.68 0.00 0.00 178.15 178.36 1bha h ALA 53 N 0.87 0.62 -0.55 1.87 0.00 -1.32 0.09 119.26 120.84 1bha h ALA 53 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1bha h ALA 53 Cb 1.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1bha h ALA 53 CO 0.12 0.17 -0.07 0.35 0.00 0.00 0.00 179.25 179.81 1bha h PHE 54 N 0.63 1.12 -0.73 0.00 3.57 -1.06 -0.58 116.94 119.89 1bha h PHE 54 Ca 0.17 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1bha h PHE 54 Cb 0.10 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1bha h PHE 54 CO -0.01 1.02 0.36 1.15 -2.23 0.00 0.00 178.31 178.60 1bha h THR 55 N 0.91 1.24 -0.34 4.41 2.02 -0.86 -0.74 112.91 119.55 1bha h THR 55 Ca 0.15 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.51 1bha h THR 55 Cb 0.63 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1bha h THR 55 CO 0.04 0.28 -0.41 0.24 0.37 0.00 0.00 175.52 176.04 1bha h MET 56 N 1.03 0.83 -0.14 6.66 2.86 -0.79 0.53 114.93 125.90 1bha h MET 56 Ca 0.25 -0.44 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1bha h MET 56 Cb 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1bha h MET 56 CO -0.03 1.08 -0.17 -0.92 1.06 0.00 0.00 176.91 177.93 1bha h TYR 57 N 0.67 0.24 0.03 -0.22 3.20 -0.75 -0.93 116.97 119.21 1bha h TYR 57 Ca 0.05 -0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.64 1bha h TYR 57 Cb 0.98 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1bha h TYR 57 CO 0.06 0.39 -1.26 1.25 -1.64 0.00 0.00 178.16 176.96 1bha h LEU 58 N 0.21 0.10 0.00 2.82 6.46 -0.96 0.10 115.31 124.05 1bha h LEU 58 Ca 0.04 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1bha h LEU 58 Cb 0.43 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1bha h LEU 58 CO 0.03 1.11 0.00 -0.24 -0.62 0.00 0.00 178.44 178.71 1bha n SER 59 N -3.32 0.00 -0.06 1.25 2.88 0.16 -2.56 113.62 111.98 1bha n SER 59 Ca -0.07 0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 57.59 1bha n SER 59 Cb 0.99 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1bha n SER 59 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1bha n MET 60 N -1.40 0.26 0.13 -1.46 0.00 -0.41 -1.65 117.12 112.60 1bha n MET 60 Ca 0.08 0.11 -0.09 0.00 -0.00 0.00 0.00 57.70 57.81 1bha n MET 60 Cb 0.23 -0.94 -0.05 0.00 0.00 0.00 0.00 33.22 32.46 1bha n MET 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1bha h LEU 61 N -0.45 -0.68 -0.52 -0.89 5.85 -0.88 -2.93 115.31 114.81 1bha h LEU 61 Ca -0.28 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.33 1bha h LEU 61 Cb 1.18 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1bha h LEU 61 CO -0.17 -0.32 -0.72 0.25 -0.34 0.00 0.00 178.44 177.14 1bha h LEU 62 N -0.47 0.19 -2.91 2.25 5.85 -1.70 -3.49 115.31 115.02 1bha h LEU 62 Ca -0.03 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1bha h LEU 62 Cb 0.42 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1bha h LEU 62 CO -0.04 0.84 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 1bha n GLY 63 N 0.53 -2.44 0.30 3.75 0.00 -1.11 -5.03 105.19 101.18 1bha n GLY 63 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1bha n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bha n TYR 64 N -0.07 0.00 0.01 1.61 4.19 -0.79 -4.60 117.16 117.51 1bha n TYR 64 Ca 0.00 -0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.07 1bha n TYR 64 Cb 0.00 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 39.78 1bha n TYR 64 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1bha n GLY 65 N -0.19 -0.81 0.26 2.98 0.00 -1.18 -4.84 105.19 101.42 1bha n GLY 65 Ca 0.02 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1bha n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bha h LEU 66 N 0.00 0.83 0.15 0.99 6.46 -1.67 -3.20 115.31 118.86 1bha h LEU 66 Ca 0.00 -0.20 -0.31 0.00 -0.12 0.00 0.00 57.88 57.24 1bha h LEU 66 Cb 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 1bha h LEU 66 CO 0.00 0.81 -1.59 0.74 -0.62 0.00 0.00 178.44 177.78 1bha h THR 67 N 0.80 0.96 -2.00 1.05 2.02 -1.86 -3.41 112.91 110.47 1bha h THR 67 Ca 0.18 -2.44 -0.70 0.00 0.77 0.00 0.00 66.41 64.22 1bha h THR 67 Cb 0.27 2.72 -0.16 0.00 -1.74 0.00 0.00 68.15 69.24 1bha h THR 67 CO -0.01 0.78 1.29 -0.04 0.37 0.00 0.00 175.52 177.91 1bha s MET 68 N -2.52 3.86 0.14 6.66 -1.94 -1.21 -4.99 119.30 119.30 1bha s MET 68 Ca -0.19 -2.10 -0.00 0.00 -1.71 0.00 0.00 55.69 51.69 1bha s MET 68 Cb 0.05 -5.09 -0.04 0.00 2.01 0.00 0.00 34.83 31.75 1bha s MET 68 CO 0.80 -1.87 0.31 0.14 -0.01 0.00 0.00 175.02 174.40 1bha s VAL 69 N 2.57 5.28 -2.00 -6.03 -7.23 -1.25 -4.20 120.40 107.54 1bha s VAL 69 Ca 0.41 -0.37 0.24 0.00 -1.81 0.00 0.00 61.98 60.44 1bha s VAL 69 Cb -0.02 -3.69 0.68 0.00 0.56 0.00 0.00 36.38 33.91 1bha s VAL 69 CO -0.03 -0.03 1.79 -0.81 -0.31 0.00 0.00 175.10 175.72