#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 0.60 -0.99 0.00 2.00 -1.26 -5.09 119.66 114.93 1bha s GLN 3 Ca 0.00 0.94 -0.17 0.00 -2.00 0.00 0.00 55.36 54.13 1bha s GLN 3 Cb 0.00 0.17 0.16 0.00 0.80 0.00 0.00 33.01 34.13 1bha s GLN 3 CO 0.00 -0.13 1.15 0.42 -0.50 0.00 0.00 175.29 176.24 1bha s ILE 4 N 1.05 4.94 -0.60 -2.34 -1.09 -1.26 -4.73 121.20 117.18 1bha s ILE 4 Ca -0.06 -1.98 0.14 0.00 -2.23 0.00 0.00 60.65 56.52 1bha s ILE 4 Cb -0.06 -4.77 0.43 0.00 -1.58 0.00 0.00 42.46 36.48 1bha s ILE 4 CO -0.10 -1.46 1.35 1.07 -1.23 0.00 0.00 174.94 174.57 1bha n THR 5 N 5.02 1.61 0.16 2.92 5.66 -1.26 -4.40 114.28 124.00 1bha n THR 5 Ca 0.26 -1.40 0.12 0.00 -3.05 0.00 0.00 64.05 59.98 1bha n THR 5 Cb 0.47 0.15 0.05 0.00 -1.55 0.00 0.00 70.33 69.45 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 2.03 0.00 -3.57 1.09 0.00 -2.00 -3.45 103.07 97.17 1bha h GLY 6 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1bha h GLY 6 CO 0.11 0.00 0.20 0.50 0.00 0.00 0.00 176.54 177.35 1bha s ARG 7 N -3.32 4.44 0.46 4.80 1.81 -1.26 -4.96 118.95 120.92 1bha s ARG 7 Ca 0.01 1.08 0.25 0.00 -1.72 0.00 0.00 55.73 55.36 1bha s ARG 7 Cb 0.09 -2.95 1.03 0.00 -0.45 0.00 0.00 34.95 32.67 1bha s ARG 7 CO 0.76 0.40 1.87 -1.00 -0.68 0.00 0.00 175.30 176.66 1bha h PRO 8 N 3.56 0.00 -0.32 3.54 0.13 -1.96 -2.64 132.00 134.30 1bha h PRO 8 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 1bha h PRO 8 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bha h PRO 8 CO 0.65 0.20 -0.43 1.49 -0.23 0.00 0.00 178.00 179.68 1bha h GLU 9 N 0.00 0.81 -0.25 0.86 4.22 -1.98 0.62 114.58 118.86 1bha h GLU 9 Ca -0.00 -0.44 -0.13 0.00 0.08 0.00 0.00 59.36 58.87 1bha h GLU 9 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1bha h GLU 9 CO 0.03 1.08 -0.37 2.35 -2.18 0.00 0.00 179.01 179.91 1bha h TRP 10 N 0.65 0.66 -0.39 0.92 7.01 -1.80 0.78 115.95 123.78 1bha h TRP 10 Ca 0.04 -0.18 -0.14 0.00 2.11 0.00 0.00 58.89 60.73 1bha h TRP 10 Cb 1.00 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1bha h TRP 10 CO 0.06 0.86 -0.30 0.82 -2.79 0.00 0.00 178.44 177.09 1bha h ILE 11 N 0.47 1.27 -0.31 2.65 1.08 -1.25 0.50 117.51 121.93 1bha h ILE 11 Ca 0.05 -1.45 -0.11 0.00 -0.39 0.00 0.00 64.86 62.95 1bha h ILE 11 Cb 0.86 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1bha h ILE 11 CO 0.07 0.49 -0.28 -0.25 -0.69 0.00 0.00 178.15 177.49 1bha h TRP 12 N 0.73 0.72 -0.35 1.37 2.91 -0.55 0.58 115.95 121.36 1bha h TRP 12 Ca 0.08 -0.17 -0.06 0.00 1.13 0.00 0.00 58.89 59.87 1bha h TRP 12 Cb 0.85 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 1bha h TRP 12 CO 0.05 0.85 0.00 1.25 -1.03 0.00 0.00 178.44 179.56 1bha h LEU 13 N 0.54 0.60 -0.95 0.65 5.85 -0.49 0.40 115.31 121.91 1bha h LEU 13 Ca 0.07 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1bha h LEU 13 Cb 0.77 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1bha h LEU 13 CO 0.06 0.76 0.09 0.00 -0.34 0.00 0.00 178.44 179.01 1bha h ALA 14 N 0.86 1.14 -0.58 1.25 0.00 -0.64 0.05 119.26 121.34 1bha h ALA 14 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1bha h ALA 14 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bha h ALA 14 CO 0.02 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.19 1bha h LEU 15 N 0.82 0.92 -0.63 0.00 5.85 -0.57 0.28 115.31 121.99 1bha h LEU 15 Ca 0.17 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1bha h LEU 15 Cb 0.36 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1bha h LEU 15 CO 0.01 0.94 0.07 1.23 -0.34 0.00 0.00 178.44 180.34 1bha h GLY 16 N 0.86 1.14 1.55 3.75 0.00 -0.37 0.12 103.07 110.11 1bha h GLY 16 Ca 0.18 -0.79 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1bha h GLY 16 CO 0.01 0.73 -0.28 -0.84 0.00 0.00 0.00 176.54 176.16 1bha h THR 17 N 0.97 1.27 -0.10 4.70 2.02 -0.73 -0.42 112.91 120.62 1bha h THR 17 Ca 0.19 -1.33 -0.18 0.00 0.77 0.00 0.00 66.41 65.85 1bha h THR 17 Cb 0.48 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1bha h THR 17 CO 0.02 0.42 -0.70 0.00 0.37 0.00 0.00 175.52 175.63 1bha h ALA 18 N 1.25 0.60 0.22 6.16 0.00 -0.63 0.82 119.26 127.69 1bha h ALA 18 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1bha h ALA 18 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bha h ALA 18 CO 0.06 0.74 -0.11 1.25 0.00 0.00 0.00 179.25 181.19 1bha h LEU 19 N 0.31 -0.25 -0.94 0.00 5.85 -0.45 0.28 115.31 120.11 1bha h LEU 19 Ca -0.03 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1bha h LEU 19 Cb 1.27 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1bha h LEU 19 CO 0.12 0.07 0.16 0.24 -0.34 0.00 0.00 178.44 178.69 1bha h MET 20 N -0.60 0.93 -0.70 1.25 2.86 -1.11 -0.74 114.93 116.82 1bha h MET 20 Ca -0.03 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1bha h MET 20 Cb 0.44 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1bha h MET 20 CO 0.05 0.82 0.21 0.78 1.06 0.00 0.00 176.91 179.83 1bha h GLY 21 N 1.02 1.17 1.14 8.32 0.00 -0.76 -0.04 103.07 113.93 1bha h GLY 21 Ca 0.20 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 1bha h GLY 21 CO -0.00 0.65 -0.23 -2.00 0.00 0.00 0.00 176.54 174.96 1bha h LEU 22 N 1.03 1.00 -0.57 3.11 5.85 -0.58 -0.57 115.31 124.58 1bha h LEU 22 Ca 0.22 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1bha h LEU 22 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1bha h LEU 22 CO -0.01 1.18 0.24 1.23 -0.34 0.00 0.00 178.44 180.74 1bha h GLY 23 N 0.88 0.91 1.12 3.75 0.00 -0.79 0.47 103.07 109.41 1bha h GLY 23 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1bha h GLY 23 CO 0.07 0.46 -0.16 -0.84 0.00 0.00 0.00 176.54 176.07 1bha h THR 24 N 0.78 1.27 -0.32 4.70 2.02 -0.87 -0.74 112.91 119.75 1bha h THR 24 Ca 0.19 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1bha h THR 24 Cb 0.18 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1bha h THR 24 CO -0.02 0.46 0.15 0.25 0.37 0.00 0.00 175.52 176.73 1bha h LEU 25 N 0.89 0.42 -0.99 2.58 5.85 -0.81 -0.57 115.31 122.68 1bha h LEU 25 Ca 0.13 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1bha h LEU 25 Cb 0.73 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1bha h LEU 25 CO 0.06 0.45 0.25 0.22 -0.34 0.00 0.00 178.44 179.07 1bha h TYR 26 N 0.37 0.99 -0.32 1.25 3.20 -0.77 -0.23 116.97 121.46 1bha h TYR 26 Ca 0.11 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1bha h TYR 26 Cb 0.14 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1bha h TYR 26 CO -0.01 0.77 -0.14 0.35 -1.64 0.00 0.00 178.16 177.49 1bha h PHE 27 N 0.95 0.61 -0.20 -3.82 3.57 -0.73 -0.43 116.94 116.89 1bha h PHE 27 Ca 0.22 -0.10 -0.19 0.00 3.53 0.00 0.00 57.97 61.43 1bha h PHE 27 Cb 0.21 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1bha h PHE 27 CO 0.02 0.68 -0.60 -0.07 -2.23 0.00 0.00 178.31 176.10 1bha h LEU 28 N 0.52 0.88 -0.33 0.59 3.38 -0.54 0.20 115.31 120.01 1bha h LEU 28 Ca 0.09 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1bha h LEU 28 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1bha h LEU 28 CO 0.03 1.31 0.18 0.58 0.09 0.00 0.00 178.44 180.64 1bha h VAL 29 N 0.50 1.13 -0.14 1.22 2.07 -0.77 -0.21 116.25 120.04 1bha h VAL 29 Ca -0.02 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1bha h VAL 29 Cb 1.22 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1bha h VAL 29 CO 0.13 0.13 -0.42 0.11 0.02 0.00 0.00 177.57 177.54 1bha h LYS 30 N 0.41 0.32 -0.57 1.57 1.79 -1.06 0.77 116.57 119.80 1bha h LYS 30 Ca 0.12 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1bha h LYS 30 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1bha h LYS 30 CO -0.02 0.69 0.34 0.78 -1.08 0.00 0.00 179.45 180.16 1bha h GLY 31 N 1.20 0.83 2.00 3.86 0.00 0.08 -2.54 103.07 108.50 1bha h GLY 31 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1bha h GLY 31 CO 0.07 0.34 -0.68 -0.33 0.00 0.00 0.00 176.54 175.94 1bha h MET 32 N 0.77 0.00 -1.05 4.80 2.86 -0.89 -3.48 114.93 117.93 1bha h MET 32 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1bha h MET 32 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1bha h MET 32 CO -0.04 0.68 0.00 0.41 1.06 0.00 0.00 176.91 179.03 1bha n GLY 33 N 1.21 0.48 2.57 8.32 0.00 0.07 -5.10 105.19 112.73 1bha n GLY 33 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 1bha n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bha n VAL 34 N -0.54 0.00 0.00 1.61 0.31 -0.08 -5.02 118.33 114.60 1bha n VAL 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bha n VAL 34 Cb 0.26 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1bha n VAL 34 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1bha n PRO 37 N -0.30 0.00 0.02 5.55 -0.04 -1.26 -5.13 135.00 133.83 1bha n PRO 37 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1bha n PRO 37 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 1.37 -0.28 0.23 3.54 8.00 -1.26 -4.79 116.55 123.36 1bha n ASP 38 Ca 0.00 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 1bha n ASP 38 Cb 0.00 0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.60 0.00 2.24 0.00 -2.05 0.56 119.26 119.41 1bha h ALA 39 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1bha h ALA 39 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bha h ALA 39 CO 0.00 -0.70 -0.26 0.87 0.00 0.00 0.00 179.25 179.16 1bha h LYS 40 N -0.88 0.00 0.33 0.00 1.79 -1.98 -1.69 116.57 114.13 1bha h LYS 40 Ca -0.06 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1bha h LYS 40 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1bha h LYS 40 CO 0.10 0.26 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.36 1bha h LYS 41 N 0.00 -0.42 -0.75 3.15 3.64 -1.82 0.37 116.57 120.74 1bha h LYS 41 Ca -0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1bha h LYS 41 Cb 0.55 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1bha h LYS 41 CO 0.03 -0.16 0.50 0.35 -2.27 0.00 0.00 179.45 177.90 1bha h PHE 42 N -0.64 0.95 -0.88 1.91 3.57 -0.67 -1.83 116.94 119.35 1bha h PHE 42 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1bha h PHE 42 Cb 0.46 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1bha h PHE 42 CO -0.00 0.60 0.53 -0.92 -2.23 0.00 0.00 178.31 176.29 1bha h TYR 43 N 1.02 1.16 -0.40 0.41 3.20 -1.21 0.61 116.97 121.76 1bha h TYR 43 Ca 0.28 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1bha h TYR 43 Cb -0.12 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.75 1bha h TYR 43 CO -0.02 0.77 0.24 0.00 -1.64 0.00 0.00 178.16 177.51 1bha h ALA 44 N 1.29 0.50 -0.71 1.82 0.00 -0.32 0.13 119.26 121.98 1bha h ALA 44 Ca 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1bha h ALA 44 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bha h ALA 44 CO -0.06 -0.01 0.28 0.82 0.00 0.00 0.00 179.25 180.28 1bha h ILE 45 N 0.52 1.24 0.00 0.00 5.03 -0.82 0.11 117.51 123.59 1bha h ILE 45 Ca 0.14 -0.76 0.00 0.00 -0.12 0.00 0.00 64.86 64.12 1bha h ILE 45 Cb -0.01 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 1bha h ILE 45 CO -0.03 0.31 0.00 0.74 -0.68 0.00 0.00 178.15 178.49 1bha h THR 46 N 1.03 0.00 0.00 -0.27 2.02 -0.13 0.11 112.91 115.67 1bha h THR 46 Ca 0.24 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1bha h THR 46 Cb 0.20 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1bha h THR 46 CO -0.02 0.00 -1.14 0.41 0.37 0.00 0.00 175.52 175.14 1bha n THR 47 N -2.99 0.29 0.92 3.16 -1.04 0.39 -3.82 114.28 111.20 1bha n THR 47 Ca 0.01 -0.38 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1bha n THR 47 Cb 0.29 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.23 1.71 0.00 -4.42 7.99 0.24 -4.13 117.00 116.16 1bha n LEU 48 Ca 0.01 -0.71 -0.12 0.00 -0.01 0.00 0.00 56.01 55.18 1bha n LEU 48 Cb 0.49 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.72 1bha n LEU 48 CO 0.41 0.33 0.77 0.58 -1.51 0.00 0.00 177.39 177.97 1bha h VAL 49 N 1.79 1.18 0.00 4.08 2.07 -0.90 0.12 116.25 124.59 1bha h VAL 49 Ca 0.00 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1bha h VAL 49 Cb 0.65 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1bha h VAL 49 CO 0.00 0.15 -0.01 1.55 0.02 0.00 0.00 177.57 179.27 1bha h PRO 50 N -0.16 0.00 -0.12 1.57 0.13 -1.70 -1.66 132.00 130.06 1bha h PRO 50 Ca 0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 1bha h PRO 50 Cb 0.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 1bha h PRO 50 CO -0.00 0.01 -0.57 0.00 -0.23 0.00 0.00 178.00 177.22 1bha h ALA 51 N 1.99 0.23 -0.14 -0.56 0.00 -0.71 -0.87 119.26 119.19 1bha h ALA 51 Ca -0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 1bha h ALA 51 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bha h ALA 51 CO 0.00 0.46 -0.73 0.82 0.00 0.00 0.00 179.25 179.80 1bha h ILE 52 N 0.23 1.31 -0.57 0.00 2.04 -0.90 -1.16 117.51 118.47 1bha h ILE 52 Ca -0.04 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 1bha h ILE 52 Cb 1.21 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1bha h ILE 52 CO 0.12 0.62 0.29 0.00 0.00 0.00 0.00 178.15 179.18 1bha h ALA 53 N 0.73 0.73 -0.48 1.87 0.00 -1.31 -0.33 119.26 120.47 1bha h ALA 53 Ca -0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1bha h ALA 53 Cb 1.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bha h ALA 53 CO 0.14 0.27 -0.10 0.35 0.00 0.00 0.00 179.25 179.91 1bha h PHE 54 N 0.76 1.03 -0.68 0.00 3.57 -1.10 -0.62 116.94 119.90 1bha h PHE 54 Ca 0.20 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1bha h PHE 54 Cb 0.09 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1bha h PHE 54 CO -0.01 0.99 0.45 1.15 -2.23 0.00 0.00 178.31 178.66 1bha h THR 55 N 0.76 1.18 -0.42 4.41 2.02 -0.85 0.02 112.91 120.03 1bha h THR 55 Ca 0.12 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1bha h THR 55 Cb 0.65 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1bha h THR 55 CO 0.05 0.17 -0.24 0.24 0.37 0.00 0.00 175.52 176.11 1bha h MET 56 N 0.92 0.90 -0.11 6.66 2.86 -0.93 0.64 114.93 125.87 1bha h MET 56 Ca 0.25 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1bha h MET 56 Cb -0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1bha h MET 56 CO -0.05 1.06 -0.09 -0.92 1.06 0.00 0.00 176.91 177.97 1bha h TYR 57 N 0.72 0.17 0.15 -0.22 3.20 -0.68 -0.82 116.97 119.49 1bha h TYR 57 Ca 0.09 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.65 1bha h TYR 57 Cb 0.81 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.04 1bha h TYR 57 CO 0.06 0.26 -1.38 1.25 -1.64 0.00 0.00 178.16 176.71 1bha h LEU 58 N 0.16 0.48 -0.02 2.82 7.12 -0.78 0.12 115.31 125.22 1bha h LEU 58 Ca 0.04 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.49 1bha h LEU 58 Cb 0.26 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1bha h LEU 58 CO 0.01 1.45 0.00 -0.24 -0.13 0.00 0.00 178.44 179.53 1bha n SER 59 N -3.54 0.02 -0.08 1.25 2.88 0.20 -2.03 113.62 112.32 1bha n SER 59 Ca -0.12 0.50 -0.14 0.00 -1.33 0.00 0.00 58.87 57.77 1bha n SER 59 Cb 1.04 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.52 0.38 0.43 -1.46 0.00 -0.37 -1.15 117.12 113.43 1bha n MET 60 Ca 0.04 0.12 -0.20 0.00 -0.00 0.00 0.00 57.70 57.66 1bha n MET 60 Cb 0.19 -1.22 -0.10 0.00 0.00 0.00 0.00 33.22 32.09 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 -0.29 -1.28 -0.18 -0.89 5.85 -0.73 -3.08 115.31 114.72 1bha h LEU 61 Ca -0.39 0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.17 1bha h LEU 61 Cb 1.47 0.38 0.01 0.00 0.37 0.00 0.00 40.66 42.88 1bha h LEU 61 CO -0.15 -0.76 -0.86 0.25 -0.34 0.00 0.00 178.44 176.57 1bha h LEU 62 N -1.21 0.77 -1.62 2.25 6.46 -1.64 -3.49 115.31 116.84 1bha h LEU 62 Ca -0.11 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.10 1bha h LEU 62 Cb 0.98 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1bha h LEU 62 CO 0.09 1.34 0.00 0.61 -0.62 0.00 0.00 178.44 179.86 1bha n GLY 63 N 0.81 -1.44 0.00 3.75 0.00 -1.16 -4.98 105.19 102.16 1bha n GLY 63 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1bha n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bha n TYR 64 N -0.03 0.00 0.00 1.61 4.01 -0.30 -4.58 117.16 117.87 1bha n TYR 64 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1bha n TYR 64 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1bha n TYR 64 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bha n GLY 65 N -0.01 0.08 0.35 2.72 0.00 -1.22 -4.90 105.19 102.22 1bha n GLY 65 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1bha n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bha h LEU 66 N 0.00 -0.72 0.04 0.99 4.07 -1.89 -3.24 115.31 114.56 1bha h LEU 66 Ca 0.00 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1bha h LEU 66 Cb 0.00 0.19 0.02 0.00 1.08 0.00 0.00 40.66 41.94 1bha h LEU 66 CO 0.00 -0.42 -0.68 0.74 -1.08 0.00 0.00 178.44 176.99 1bha h THR 67 N -0.99 1.44 -2.47 0.22 2.02 -1.80 -3.38 112.91 107.95 1bha h THR 67 Ca -0.09 -2.20 -0.73 0.00 0.77 0.00 0.00 66.41 64.16 1bha h THR 67 Cb 0.69 2.74 -0.19 0.00 -1.74 0.00 0.00 68.15 69.65 1bha h THR 67 CO 0.14 0.64 1.04 -0.04 0.37 0.00 0.00 175.52 177.67 1bha s MET 68 N -3.02 3.93 0.41 6.66 -1.94 -1.24 -5.01 119.30 119.08 1bha s MET 68 Ca -0.13 -2.40 -0.15 0.00 -1.71 0.00 0.00 55.69 51.31 1bha s MET 68 Cb 0.03 -4.93 -0.08 0.00 2.01 0.00 0.00 34.83 31.85 1bha s MET 68 CO 0.83 -1.69 0.83 0.14 -0.01 0.00 0.00 175.02 175.12 1bha s VAL 69 N 1.54 4.65 -2.00 -6.03 -7.23 -1.22 -3.93 120.40 106.17 1bha s VAL 69 Ca 0.37 0.97 0.24 0.00 -1.81 0.00 0.00 61.98 61.75 1bha s VAL 69 Cb -0.05 -3.67 0.69 0.00 0.56 0.00 0.00 36.38 33.91 1bha s VAL 69 CO -0.04 -0.42 1.81 -0.81 -0.31 0.00 0.00 175.10 175.33