#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 0.73 -1.28 0.00 2.00 -1.26 -5.08 119.66 114.78 1bha s GLN 3 Ca 0.00 -0.18 -0.15 0.00 -2.00 0.00 0.00 55.36 53.03 1bha s GLN 3 Cb 0.00 0.33 0.12 0.00 0.80 0.00 0.00 33.01 34.25 1bha s GLN 3 CO 0.00 -0.21 1.69 -0.89 -0.50 0.00 0.00 175.29 175.37 1bha n ILE 4 N 1.14 4.06 0.69 -2.34 2.08 -1.26 -4.63 119.36 119.10 1bha n ILE 4 Ca -0.21 -4.27 0.12 0.00 0.56 0.00 0.00 62.75 58.94 1bha n ILE 4 Cb 0.57 -2.42 0.14 0.00 -0.75 0.00 0.00 39.64 37.18 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 5.24 0.20 -0.05 1.39 5.66 -1.26 -3.94 114.28 121.53 1bha n THR 5 Ca 0.44 -0.19 -0.06 0.00 -3.05 0.00 0.00 64.05 61.18 1bha n THR 5 Cb 0.43 0.09 0.12 0.00 -1.55 0.00 0.00 70.33 69.42 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 4.66 0.73 -7.36 1.09 0.00 -2.05 -3.39 103.07 96.74 1bha h GLY 6 Ca 0.00 -0.62 -0.70 0.00 0.00 0.00 0.00 47.33 46.00 1bha h GLY 6 CO 0.00 0.57 -0.21 -1.60 0.00 0.00 0.00 176.54 175.30 1bha s ARG 7 N -4.53 3.07 0.44 4.80 6.06 -1.25 -4.92 118.95 122.62 1bha s ARG 7 Ca -0.08 -0.87 0.19 0.00 -2.50 0.00 0.00 55.73 52.46 1bha s ARG 7 Cb 0.13 -4.01 1.03 0.00 0.06 0.00 0.00 34.95 32.17 1bha s ARG 7 CO 0.82 -0.91 1.94 -1.00 -2.50 0.00 0.00 175.30 173.65 1bha h PRO 8 N 8.76 0.00 -0.41 5.12 0.13 -1.87 -2.29 132.00 141.44 1bha h PRO 8 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1bha h PRO 8 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1bha h PRO 8 CO 0.82 0.24 -0.11 1.49 -0.23 0.00 0.00 178.00 180.21 1bha h GLU 9 N 0.00 0.72 -0.27 0.86 4.81 -1.95 0.12 114.58 118.87 1bha h GLU 9 Ca -0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1bha h GLU 9 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1bha h GLU 9 CO 0.03 0.81 -0.38 2.35 -0.73 0.00 0.00 179.01 181.09 1bha h TRP 10 N 0.66 0.74 -0.24 0.92 7.01 -1.74 -0.24 115.95 123.06 1bha h TRP 10 Ca 0.11 -0.21 -0.12 0.00 2.11 0.00 0.00 58.89 60.78 1bha h TRP 10 Cb 0.56 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1bha h TRP 10 CO 0.03 0.91 -0.37 0.82 -2.79 0.00 0.00 178.44 177.04 1bha h ILE 11 N 0.52 1.29 -0.30 2.65 1.08 -1.08 0.75 117.51 122.43 1bha h ILE 11 Ca 0.05 -1.51 -0.13 0.00 -0.39 0.00 0.00 64.86 62.89 1bha h ILE 11 Cb 0.89 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 1bha h ILE 11 CO 0.08 0.47 -0.33 -0.25 -0.69 0.00 0.00 178.15 177.43 1bha h TRP 12 N 0.45 0.76 -0.20 1.37 7.01 -0.41 0.88 115.95 125.81 1bha h TRP 12 Ca 0.05 -0.20 -0.05 0.00 2.11 0.00 0.00 58.89 60.80 1bha h TRP 12 Cb 0.85 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1bha h TRP 12 CO 0.03 0.90 -0.07 1.25 -2.79 0.00 0.00 178.44 177.76 1bha h LEU 13 N 0.55 0.41 -0.96 0.65 6.46 -0.63 0.38 115.31 122.16 1bha h LEU 13 Ca 0.06 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1bha h LEU 13 Cb 0.83 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1bha h LEU 13 CO 0.07 0.71 0.45 0.00 -0.62 0.00 0.00 178.44 179.05 1bha h ALA 14 N 0.71 1.20 -0.60 1.25 0.00 -0.68 0.68 119.26 121.83 1bha h ALA 14 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bha h ALA 14 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bha h ALA 14 CO 0.02 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.24 1bha h LEU 15 N 1.18 0.96 -0.61 0.00 5.85 -0.64 -0.08 115.31 121.97 1bha h LEU 15 Ca 0.29 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1bha h LEU 15 Cb 0.05 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1bha h LEU 15 CO -0.04 0.99 0.19 1.23 -0.34 0.00 0.00 178.44 180.46 1bha h GLY 16 N 0.90 1.02 1.38 3.75 0.00 -0.16 0.10 103.07 110.06 1bha h GLY 16 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1bha h GLY 16 CO 0.01 0.57 -0.17 -0.84 0.00 0.00 0.00 176.54 176.11 1bha h THR 17 N 0.87 1.26 -0.29 4.70 2.02 -0.64 -0.39 112.91 120.44 1bha h THR 17 Ca 0.20 -1.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1bha h THR 17 Cb 0.29 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1bha h THR 17 CO -0.01 0.41 -0.40 0.00 0.37 0.00 0.00 175.52 175.90 1bha h ALA 18 N 1.17 0.76 -0.26 6.16 0.00 -0.66 0.02 119.26 126.44 1bha h ALA 18 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1bha h ALA 18 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bha h ALA 18 CO 0.05 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.56 0.44 -0.57 0.00 6.46 -0.46 0.04 115.31 121.79 1bha h LEU 19 Ca 0.05 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1bha h LEU 19 Cb 0.94 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1bha h LEU 19 CO 0.08 0.61 0.19 0.24 -0.62 0.00 0.00 178.44 178.95 1bha h MET 20 N 0.25 0.87 -0.72 1.25 2.86 -0.96 -0.31 114.93 118.16 1bha h MET 20 Ca 0.08 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1bha h MET 20 Cb 0.38 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1bha h MET 20 CO 0.01 0.78 0.24 0.78 1.06 0.00 0.00 176.91 179.77 1bha h GLY 21 N 0.79 1.19 1.06 8.32 0.00 -0.86 -0.28 103.07 113.30 1bha h GLY 21 Ca 0.18 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1bha h GLY 21 CO -0.01 0.64 -0.08 -2.00 0.00 0.00 0.00 176.54 175.10 1bha h LEU 22 N 1.07 0.98 -0.58 3.11 5.85 -0.69 -0.33 115.31 124.71 1bha h LEU 22 Ca 0.24 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1bha h LEU 22 Cb 0.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1bha h LEU 22 CO -0.01 1.09 0.22 1.23 -0.34 0.00 0.00 178.44 180.63 1bha h GLY 23 N 0.85 0.94 1.08 3.75 0.00 -0.65 0.42 103.07 109.46 1bha h GLY 23 Ca 0.14 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1bha h GLY 23 CO 0.04 0.49 -0.05 -0.84 0.00 0.00 0.00 176.54 176.18 1bha h THR 24 N 0.81 1.27 -0.35 4.70 2.02 -0.89 -0.63 112.91 119.84 1bha h THR 24 Ca 0.19 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1bha h THR 24 Cb 0.21 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1bha h THR 24 CO -0.01 0.43 0.14 0.25 0.37 0.00 0.00 175.52 176.70 1bha h LEU 25 N 0.93 0.49 -1.07 2.58 5.85 -0.77 -0.44 115.31 122.87 1bha h LEU 25 Ca 0.15 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1bha h LEU 25 Cb 0.62 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1bha h LEU 25 CO 0.04 0.52 0.27 0.22 -0.34 0.00 0.00 178.44 179.15 1bha h TYR 26 N 0.42 0.93 -0.23 1.25 3.20 -0.74 -0.13 116.97 121.67 1bha h TYR 26 Ca 0.12 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1bha h TYR 26 Cb 0.19 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1bha h TYR 26 CO -0.00 0.71 -0.30 0.35 -1.64 0.00 0.00 178.16 177.27 1bha h PHE 27 N 0.92 0.54 -0.23 -3.82 3.57 -0.72 -1.01 116.94 116.19 1bha h PHE 27 Ca 0.22 -0.13 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 1bha h PHE 27 Cb 0.16 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1bha h PHE 27 CO 0.01 0.73 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.12 1bha h LEU 28 N 0.41 0.90 -0.60 0.59 3.38 -0.47 0.30 115.31 119.82 1bha h LEU 28 Ca 0.05 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1bha h LEU 28 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1bha h LEU 28 CO 0.06 1.31 0.21 0.58 0.09 0.00 0.00 178.44 180.69 1bha h VAL 29 N 0.59 1.24 0.00 1.22 2.07 -0.81 -0.04 116.25 120.52 1bha h VAL 29 Ca -0.01 -0.78 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 1bha h VAL 29 Cb 1.23 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1bha h VAL 29 CO 0.13 0.30 -0.70 0.11 0.02 0.00 0.00 177.57 177.43 1bha h LYS 30 N 0.85 0.00 -0.45 1.57 1.79 -1.11 0.54 116.57 119.76 1bha h LYS 30 Ca 0.20 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1bha h LYS 30 Cb 0.25 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1bha h LYS 30 CO -0.01 0.70 0.06 0.78 -1.08 0.00 0.00 179.45 179.90 1bha h GLY 31 N 2.19 0.81 1.63 3.86 0.00 0.23 0.21 103.07 112.00 1bha h GLY 31 Ca -0.01 -0.55 -0.27 0.00 0.00 0.00 0.00 47.33 46.51 1bha h GLY 31 CO 0.09 0.51 -1.25 -0.33 0.00 0.00 0.00 176.54 175.56 1bha h MET 32 N 0.61 0.20 0.10 4.80 2.86 -0.99 -3.38 114.93 119.13 1bha h MET 32 Ca 0.13 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1bha h MET 32 Cb 0.41 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1bha h MET 32 CO 0.01 1.14 -0.05 0.78 1.06 0.00 0.00 176.91 179.85 1bha h GLY 33 N 1.95 -0.14 0.00 8.32 0.00 -0.81 -3.51 103.07 108.88 1bha h GLY 33 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1bha h GLY 33 CO 0.18 -0.05 0.00 1.55 0.00 0.00 0.00 176.54 178.22 1bha n VAL 34 N -2.64 0.00 0.07 4.60 3.14 0.72 -5.06 118.33 119.16 1bha n VAL 34 Ca -0.02 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 1bha n VAL 34 Cb 0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 1bha n VAL 34 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1bha h PRO 37 N 0.00 0.00 -0.07 1.45 0.13 -2.05 -3.52 132.00 127.95 1bha h PRO 37 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1bha h PRO 37 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1bha h PRO 37 CO 0.00 0.18 -0.65 -0.44 -0.23 0.00 0.00 178.00 176.86 1bha h ASP 38 N 0.00 0.31 -0.32 1.44 3.32 -2.05 0.06 116.42 119.19 1bha h ASP 38 Ca -0.09 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.60 1bha h ASP 38 Cb 1.34 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bha h ASP 38 CO 0.03 0.87 -0.49 0.00 -1.72 0.00 0.00 179.24 177.93 1bha h ALA 39 N 1.13 0.51 -0.22 3.45 0.00 -2.05 -0.05 119.26 122.02 1bha h ALA 39 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1bha h ALA 39 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1bha h ALA 39 CO 0.10 0.68 -0.46 0.87 0.00 0.00 0.00 179.25 180.45 1bha h LYS 40 N 0.71 0.57 -0.26 0.00 1.57 -1.96 -0.66 116.57 116.53 1bha h LYS 40 Ca 0.03 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1bha h LYS 40 Cb 1.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1bha h LYS 40 CO 0.11 0.91 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.66 1bha h LYS 41 N 0.46 0.48 -0.77 3.15 3.64 -0.84 0.05 116.57 122.74 1bha h LYS 41 Ca 0.03 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1bha h LYS 41 Cb 0.97 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1bha h LYS 41 CO 0.09 0.67 0.29 0.35 -2.27 0.00 0.00 179.45 178.58 1bha h PHE 42 N 0.25 1.20 -0.48 1.91 3.57 -0.89 -1.24 116.94 121.25 1bha h PHE 42 Ca 0.07 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1bha h PHE 42 Cb 0.46 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1bha h PHE 42 CO 0.04 0.92 -0.11 -0.92 -2.23 0.00 0.00 178.31 176.01 1bha h TYR 43 N 1.13 0.99 -0.27 0.41 3.20 -0.97 0.06 116.97 121.52 1bha h TYR 43 Ca 0.26 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1bha h TYR 43 Cb 0.24 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1bha h TYR 43 CO 0.02 0.95 0.09 0.00 -1.64 0.00 0.00 178.16 177.58 1bha h ALA 44 N 1.07 0.35 -0.67 1.82 0.00 -0.62 0.38 119.26 121.58 1bha h ALA 44 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bha h ALA 44 Cb 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1bha h ALA 44 CO 0.04 -0.03 0.30 0.82 0.00 0.00 0.00 179.25 180.38 1bha h ILE 45 N 0.28 1.23 0.00 0.00 2.04 -1.07 0.21 117.51 120.20 1bha h ILE 45 Ca 0.09 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1bha h ILE 45 Cb 0.22 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1bha h ILE 45 CO -0.00 0.28 -0.15 0.74 0.00 0.00 0.00 178.15 179.02 1bha h THR 46 N 0.94 0.89 0.00 -0.27 2.02 -0.66 0.39 112.91 116.22 1bha h THR 46 Ca 0.23 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1bha h THR 46 Cb 0.16 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1bha h THR 46 CO -0.02 0.15 -0.67 0.74 0.37 0.00 0.00 175.52 176.08 1bha h THR 47 N 0.00 0.00 -0.59 3.16 2.02 0.15 -3.24 112.91 114.42 1bha h THR 47 Ca -0.00 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1bha h THR 47 Cb 0.31 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1bha h THR 47 CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1bha n LEU 48 N -2.67 4.21 -0.00 2.58 4.32 0.63 -4.46 117.00 121.61 1bha n LEU 48 Ca 0.02 -2.32 -0.11 0.00 -0.02 0.00 0.00 56.01 53.58 1bha n LEU 48 Cb 0.52 -0.50 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 1bha n LEU 48 CO 0.38 0.83 0.91 0.58 -1.22 0.00 0.00 177.39 178.86 1bha h VAL 49 N 3.60 1.03 0.00 4.08 2.07 -1.01 0.16 116.25 126.18 1bha h VAL 49 Ca 0.00 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1bha h VAL 49 Cb 1.23 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1bha h VAL 49 CO 0.14 0.03 -0.31 1.55 0.02 0.00 0.00 177.57 179.00 1bha h PRO 50 N 0.12 0.00 -0.36 1.57 0.13 0.45 -1.71 132.00 132.21 1bha h PRO 50 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1bha h PRO 50 Cb -0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1bha h PRO 50 CO -0.01 0.31 -0.42 0.00 -0.23 0.00 0.00 178.00 177.65 1bha h ALA 51 N 1.69 0.53 -0.10 -0.56 0.00 1.05 0.09 119.26 121.96 1bha h ALA 51 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 1bha h ALA 51 Cb 0.99 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bha h ALA 51 CO 0.04 0.67 -0.86 0.82 0.00 0.00 0.00 179.25 179.92 1bha h ILE 52 N 0.73 1.28 -0.69 0.00 2.04 -0.63 -1.43 117.51 118.81 1bha h ILE 52 Ca 0.05 -2.07 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 1bha h ILE 52 Cb 1.03 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.18 1bha h ILE 52 CO 0.10 0.65 0.40 0.00 0.00 0.00 0.00 178.15 179.31 1bha h ALA 53 N 0.53 0.88 -0.46 1.87 0.00 -1.24 -0.27 119.26 120.58 1bha h ALA 53 Ca -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1bha h ALA 53 Cb 1.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1bha h ALA 53 CO 0.17 0.37 -0.10 0.35 0.00 0.00 0.00 179.25 180.04 1bha h PHE 54 N 0.94 0.99 -0.83 0.00 3.57 -0.94 -0.77 116.94 119.91 1bha h PHE 54 Ca 0.25 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1bha h PHE 54 Cb -0.01 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1bha h PHE 54 CO -0.01 0.97 0.54 1.15 -2.23 0.00 0.00 178.31 178.73 1bha h THR 55 N 0.73 1.22 -0.37 4.41 2.02 -0.81 0.40 112.91 120.51 1bha h THR 55 Ca 0.12 -0.40 -0.16 0.00 0.77 0.00 0.00 66.41 66.74 1bha h THR 55 Cb 0.65 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1bha h THR 55 CO 0.04 0.21 -0.39 0.24 0.37 0.00 0.00 175.52 176.00 1bha h MET 56 N 1.12 0.89 -0.10 6.66 2.86 -0.92 0.59 114.93 126.03 1bha h MET 56 Ca 0.30 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1bha h MET 56 Cb -0.12 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1bha h MET 56 CO -0.06 1.11 -0.24 -0.92 1.06 0.00 0.00 176.91 177.86 1bha h TYR 57 N 0.72 0.18 0.09 -0.22 3.20 -0.63 -1.17 116.97 119.14 1bha h TYR 57 Ca 0.06 -0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 1bha h TYR 57 Cb 0.97 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1bha h TYR 57 CO 0.06 0.40 -1.29 1.25 -1.64 0.00 0.00 178.16 176.93 1bha h LEU 58 N 0.15 0.28 -0.19 2.82 7.12 -0.75 0.10 115.31 124.84 1bha h LEU 58 Ca 0.03 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.70 1bha h LEU 58 Cb 0.51 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1bha h LEU 58 CO 0.04 1.27 0.00 -0.24 -0.13 0.00 0.00 178.44 179.37 1bha n SER 59 N -3.43 0.28 -0.09 1.25 2.88 0.18 -2.11 113.62 112.57 1bha n SER 59 Ca -0.09 0.55 -0.17 0.00 -1.33 0.00 0.00 58.87 57.83 1bha n SER 59 Cb 1.01 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.79 0.42 0.39 -1.46 0.00 -0.48 -1.30 117.12 112.90 1bha n MET 60 Ca 0.04 0.15 -0.18 0.00 -0.00 0.00 0.00 57.70 57.70 1bha n MET 60 Cb 0.25 -1.26 -0.09 0.00 0.00 0.00 0.00 33.22 32.12 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 -0.40 -1.18 -0.02 -0.89 5.85 -0.81 -3.23 115.31 114.61 1bha h LEU 61 Ca -0.45 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1bha h LEU 61 Cb 1.51 0.35 0.01 0.00 0.37 0.00 0.00 40.66 42.89 1bha h LEU 61 CO -0.20 -0.70 -0.28 0.25 -0.34 0.00 0.00 178.44 177.17 1bha h LEU 62 N -1.11 0.29 0.00 2.25 7.12 -1.65 -3.50 115.31 118.71 1bha h LEU 62 Ca -0.10 -0.72 0.00 0.00 0.13 0.00 0.00 57.88 57.19 1bha h LEU 62 Cb 0.90 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1bha h LEU 62 CO 0.08 0.97 0.00 0.61 -0.13 0.00 0.00 178.44 179.97 1bha n GLY 63 N 0.90 -0.12 0.37 3.75 0.00 -1.21 -4.93 105.19 103.95 1bha n GLY 63 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.00 0.00 1.61 4.01 -0.42 -4.45 117.16 117.91 1bha n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bha n TYR 64 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.00 -0.24 0.00 2.72 0.00 -0.56 -4.92 105.19 102.19 1bha n GLY 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bha n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bha n LEU 66 N 0.00 0.63 -0.06 0.99 7.99 -0.92 -3.66 117.00 121.97 1bha n LEU 66 Ca 0.00 0.49 -0.11 0.00 -0.01 0.00 0.00 56.01 56.38 1bha n LEU 66 Cb 0.00 -0.36 -0.04 0.00 -0.11 0.00 0.00 43.42 42.91 1bha n LEU 66 CO 0.00 -0.36 0.86 0.74 -1.51 0.00 0.00 177.39 177.12 1bha h THR 67 N 0.00 1.16 -3.38 -5.08 2.02 -1.78 -3.37 112.91 102.49 1bha h THR 67 Ca 0.00 -0.48 -0.73 0.00 0.77 0.00 0.00 66.41 65.97 1bha h THR 67 Cb 0.00 1.11 -0.30 0.00 -1.74 0.00 0.00 68.15 67.22 1bha h THR 67 CO 0.00 0.16 -0.34 -0.04 0.37 0.00 0.00 175.52 175.66 1bha s MET 68 N -5.56 2.59 0.54 6.66 -1.94 -1.26 -4.99 119.30 115.33 1bha s MET 68 Ca -0.14 -1.93 -0.18 0.00 -1.71 0.00 0.00 55.69 51.74 1bha s MET 68 Cb 0.07 -3.95 -0.06 0.00 2.01 0.00 0.00 34.83 32.90 1bha s MET 68 CO 0.71 -1.20 1.05 0.14 -0.01 0.00 0.00 175.02 175.71 1bha s VAL 69 N 1.07 3.78 -2.00 -6.03 -7.23 -1.24 -1.49 120.40 107.25 1bha s VAL 69 Ca 0.08 0.98 0.24 0.00 -1.81 0.00 0.00 61.98 61.48 1bha s VAL 69 Cb -0.24 -3.42 0.69 0.00 0.56 0.00 0.00 36.38 33.97 1bha s VAL 69 CO -0.02 -0.36 1.81 -0.81 -0.31 0.00 0.00 175.10 175.42