#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dvh s ASP 2 N 0.00 -0.46 0.03 0.00 1.47 -1.26 -4.68 116.67 111.77 2dvh s ASP 2 Ca 0.00 0.28 -0.06 0.00 1.18 0.00 0.00 52.55 53.95 2dvh s ASP 2 Cb 0.00 0.48 -0.01 0.00 -0.34 0.00 0.00 42.92 43.05 2dvh s ASP 2 CO 0.00 -0.67 0.38 0.61 0.68 0.00 0.00 175.17 176.18 2dvh n GLY 3 N 0.60 -0.77 0.19 2.12 0.00 -1.26 -0.49 105.19 105.58 2dvh n GLY 3 Ca -0.19 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2dvh n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh h ALA 4 N 0.01 -0.40 -0.59 4.61 0.00 -1.94 0.93 119.26 121.89 2dvh h ALA 4 Ca 0.03 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2dvh h ALA 4 Cb 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dvh h ALA 4 CO -0.18 -0.62 0.41 0.00 0.00 0.00 0.00 179.25 178.86 2dvh h ALA 5 N 0.03 2.31 0.10 0.00 0.00 -1.59 -1.33 119.26 118.78 2dvh h ALA 5 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dvh h ALA 5 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dvh h ALA 5 CO 0.07 -0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 178.73 2dvh h LEU 6 N 0.18 -0.11 -1.61 0.00 3.38 -0.61 -3.37 115.31 113.17 2dvh h LEU 6 Ca 0.28 -0.25 0.23 0.00 0.09 0.00 0.00 57.88 58.24 2dvh h LEU 6 Cb 0.87 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2dvh h LEU 6 CO -0.05 0.48 0.63 0.22 0.09 0.00 0.00 178.44 179.82 2dvh h TYR 7 N -1.00 0.42 -0.07 1.13 3.20 -0.17 0.69 116.97 121.17 2dvh h TYR 7 Ca -0.01 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2dvh h TYR 7 Cb 0.35 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2dvh h TYR 7 CO 0.07 0.09 0.29 1.57 -1.64 0.00 0.00 178.16 178.54 2dvh h LYS 8 N 0.29 0.00 0.00 1.82 5.09 -1.43 0.25 116.57 122.60 2dvh h LYS 8 Ca 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 61.16 2dvh h LYS 8 Cb 1.41 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.73 2dvh h LYS 8 CO -0.16 0.00 -0.90 0.77 -2.09 0.00 0.00 179.45 177.08 2dvh h SER 9 N 0.00 0.00 0.34 7.07 0.02 -1.08 -3.38 113.55 116.52 2dvh h SER 9 Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.66 2dvh h SER 9 Cb 0.62 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2dvh h SER 9 CO -0.00 0.24 -1.86 0.00 -1.14 0.00 0.00 176.83 174.08 2dvh n ILE 11 N -3.14 0.03 0.00 0.00 -5.35 -0.60 -3.55 119.36 106.74 2dvh n ILE 11 Ca -0.23 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2dvh n ILE 11 Cb 1.06 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 2dvh n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dvh n GLY 12 N 1.27 2.85 0.24 3.28 0.00 -0.07 -4.72 105.19 108.04 2dvh n GLY 12 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2dvh n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh h HIS 14 N -1.14 0.55 0.00 0.00 -0.00 -1.83 -3.42 115.15 109.32 2dvh h HIS 14 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2dvh h HIS 14 Cb 0.43 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2dvh h HIS 14 CO 0.00 0.41 0.00 0.41 -0.00 0.00 0.00 177.93 178.76 2dvh n GLY 15 N -1.26 0.22 0.24 2.45 0.00 -1.25 -0.46 105.19 105.12 2dvh n GLY 15 Ca 0.03 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 2dvh n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh n ALA 16 N -0.57 1.05 -0.15 4.61 0.00 -1.26 -0.89 120.51 123.29 2dvh n ALA 16 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 2dvh n ALA 16 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 2dvh n ALA 16 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2dvh h ASP 17 N -0.59 0.90 0.00 0.00 2.03 -2.01 -3.48 116.42 113.27 2dvh h ASP 17 Ca 0.00 -0.38 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2dvh h ASP 17 Cb 0.59 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2dvh h ASP 17 CO 0.00 1.08 0.00 0.61 -1.03 0.00 0.00 179.24 179.90 2dvh n GLY 18 N -0.15 0.56 0.07 7.15 0.00 -1.25 -3.50 105.19 108.07 2dvh n GLY 18 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 2dvh n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dvh n SER 19 N 0.00 1.87 -4.72 1.61 3.41 0.39 -0.23 113.62 115.94 2dvh n SER 19 Ca 0.00 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2dvh n SER 19 Cb 0.00 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2dvh n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dvh s LYS 20 N -2.32 4.52 -1.34 4.33 -0.14 -0.04 -4.70 119.74 120.05 2dvh s LYS 20 Ca -0.08 1.69 -0.16 0.00 -1.36 0.00 0.00 55.97 56.06 2dvh s LYS 20 Cb 0.04 -3.34 0.02 0.00 -1.68 0.00 0.00 37.83 32.87 2dvh s LYS 20 CO 0.52 -0.09 2.08 0.00 -0.76 0.00 0.00 175.35 177.10 2dvh n ALA 21 N 3.34 4.74 -1.00 5.17 0.00 -1.26 -4.66 120.51 126.84 2dvh n ALA 21 Ca 0.06 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.72 2dvh n ALA 21 Cb 0.47 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.36 2dvh n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dvh n ALA 22 N 7.03 0.00 -1.89 0.00 0.00 -1.26 -4.10 120.51 120.29 2dvh n ALA 22 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 2dvh n ALA 22 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 2dvh n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dvh n MET 23 N 0.00 1.71 0.00 0.00 2.81 -1.26 -4.80 117.12 115.58 2dvh n MET 23 Ca 0.00 -2.39 0.00 0.00 -1.81 0.00 0.00 57.70 53.50 2dvh n MET 23 Cb 0.00 -3.52 0.00 0.00 -0.71 0.00 0.00 33.22 28.99 2dvh n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dvh n GLY 24 N 5.44 -2.35 3.12 3.03 0.00 -1.26 -4.65 105.19 108.53 2dvh n GLY 24 Ca 0.46 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 2dvh n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dvh n SER 25 N 0.16 1.88 -4.71 1.61 7.64 -1.26 -4.66 113.62 114.27 2dvh n SER 25 Ca 0.00 -2.41 -0.42 0.00 1.01 0.00 0.00 58.87 57.05 2dvh n SER 25 Cb 0.00 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 2dvh n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dvh s ALA 26 N 5.37 3.18 0.24 -0.43 0.00 -1.26 -5.01 121.76 123.85 2dvh s ALA 26 Ca 0.45 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 2dvh s ALA 26 Cb 0.11 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 2dvh s ALA 26 CO 0.14 -0.19 1.59 0.15 0.00 0.00 0.00 175.76 177.45 2dvh s LYS 27 N 0.80 4.17 0.43 0.00 -0.14 -1.26 -4.47 119.74 119.27 2dvh s LYS 27 Ca 0.51 2.49 -0.26 0.00 -1.36 0.00 0.00 55.97 57.35 2dvh s LYS 27 Cb -0.22 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 2dvh s LYS 27 CO 0.28 -0.61 1.46 -1.25 -0.76 0.00 0.00 175.35 174.47 2dvh s PRO 28 N 0.18 3.80 0.12 -1.68 0.04 -1.26 -4.91 135.00 131.28 2dvh s PRO 28 Ca 0.66 2.49 -0.09 0.00 0.04 0.00 0.00 61.00 64.10 2dvh s PRO 28 Cb -0.46 -2.75 -0.12 0.00 0.04 0.00 0.00 34.50 31.21 2dvh s PRO 28 CO 0.41 -0.75 1.31 0.28 0.04 0.00 0.00 177.00 178.28 2dvh h VAL 29 N 2.51 1.31 0.00 -0.36 2.07 -0.93 -3.40 116.25 117.45 2dvh h VAL 29 Ca -0.51 -2.13 -0.20 0.00 0.82 0.00 0.00 66.70 64.69 2dvh h VAL 29 Cb 1.26 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 33.11 2dvh h VAL 29 CO 0.62 0.66 1.14 2.29 0.02 0.00 0.00 177.57 182.30 2dvh n LYS 30 N -3.87 0.00 -4.29 1.57 2.85 -0.05 -0.79 118.16 113.57 2dvh n LYS 30 Ca -0.07 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 2dvh n LYS 30 Cb 0.78 -0.58 -0.09 0.00 -0.65 0.00 0.00 35.03 34.49 2dvh n LYS 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dvh n GLY 31 N 3.14 -0.17 0.32 2.58 0.00 -0.80 -4.82 105.19 105.44 2dvh n GLY 31 Ca 0.37 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.69 2dvh n GLY 31 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dvh h GLN 32 N -1.53 0.00 0.00 1.61 3.07 -1.18 -3.44 115.11 113.63 2dvh h GLN 32 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.11 2dvh h GLN 32 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2dvh h GLN 32 CO 0.72 0.00 0.00 0.41 0.09 0.00 0.00 178.83 180.05 2dvh n GLY 33 N -1.44 3.36 0.22 0.06 0.00 -1.26 -4.92 105.19 101.21 2dvh n GLY 33 Ca 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2dvh n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh h ALA 34 N 0.00 0.58 -0.19 4.61 0.00 -1.86 0.18 119.26 122.58 2dvh h ALA 34 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2dvh h ALA 34 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2dvh h ALA 34 CO 0.00 0.25 0.08 1.05 0.00 0.00 0.00 179.25 180.63 2dvh h GLU 35 N 0.58 0.28 -0.22 0.00 -0.00 -1.96 0.12 114.58 113.38 2dvh h GLU 35 Ca 0.14 -0.05 0.04 0.00 -0.00 0.00 0.00 59.36 59.49 2dvh h GLU 35 Cb 0.29 -0.05 -0.07 0.00 -0.00 0.00 0.00 28.75 28.93 2dvh h GLU 35 CO -0.00 0.35 -0.51 1.49 -0.00 0.00 0.00 179.01 180.34 2dvh h GLU 36 N 0.16 -0.48 0.84 1.06 4.57 -1.85 -1.13 114.58 117.74 2dvh h GLU 36 Ca 0.06 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2dvh h GLU 36 Cb 0.17 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2dvh h GLU 36 CO -0.01 -0.32 -0.40 -0.07 -1.18 0.00 0.00 179.01 177.03 2dvh h LEU 37 N -0.50 -0.95 -0.80 1.64 3.38 -0.59 -2.30 115.31 115.19 2dvh h LEU 37 Ca 0.06 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2dvh h LEU 37 Cb 0.65 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 2dvh h LEU 37 CO -0.48 -0.68 -0.56 0.22 0.09 0.00 0.00 178.44 177.03 2dvh h TYR 38 N -1.13 -1.79 -0.70 1.13 3.20 -0.49 0.31 116.97 117.50 2dvh h TYR 38 Ca -0.12 0.11 0.13 0.00 3.14 0.00 0.00 58.73 62.00 2dvh h TYR 38 Cb 0.86 0.89 -0.09 0.00 1.54 0.00 0.00 36.73 39.93 2dvh h TYR 38 CO -0.01 -0.39 0.22 0.87 -1.64 0.00 0.00 178.16 177.20 2dvh h LYS 39 N -0.11 0.34 -0.17 1.82 1.57 -1.21 0.49 116.57 119.29 2dvh h LYS 39 Ca 0.13 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2dvh h LYS 39 Cb 0.45 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dvh h LYS 39 CO -0.81 0.23 -0.15 0.87 -0.57 0.00 0.00 179.45 179.01 2dvh h LYS 40 N 0.35 0.40 -0.55 3.15 1.57 -0.17 0.35 116.57 121.67 2dvh h LYS 40 Ca 0.38 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2dvh h LYS 40 Cb 0.59 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2dvh h LYS 40 CO -0.42 0.76 0.22 0.52 -0.57 0.00 0.00 179.45 179.96 2dvh h MET 41 N 0.05 0.41 -0.85 3.15 0.00 -0.16 0.19 114.93 117.72 2dvh h MET 41 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 59.70 59.72 2dvh h MET 41 Cb 0.68 -0.09 -0.05 0.00 0.00 0.00 0.00 31.60 32.14 2dvh h MET 41 CO 0.04 0.27 0.56 -0.22 0.00 0.00 0.00 176.91 177.56 2dvh h LYS 42 N 0.42 1.09 -0.23 1.72 3.64 -0.76 0.11 116.57 122.56 2dvh h LYS 42 Ca 0.26 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2dvh h LYS 42 Cb 0.26 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2dvh h LYS 42 CO -0.24 0.72 -0.39 0.78 -2.27 0.00 0.00 179.45 178.05 2dvh h GLY 43 N 1.12 -1.28 0.85 5.01 0.00 0.10 0.25 103.07 109.13 2dvh h GLY 43 Ca 0.32 0.74 0.00 0.00 0.00 0.00 0.00 47.33 48.39 2dvh h GLY 43 CO -0.09 -0.31 -0.15 -0.97 0.00 0.00 0.00 176.54 175.03 2dvh h TYR 44 N -0.31 -0.38 -1.00 5.60 0.05 -0.34 -0.16 116.97 120.42 2dvh h TYR 44 Ca 0.04 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.94 2dvh h TYR 44 Cb 0.43 0.14 -0.08 0.00 1.01 0.00 0.00 36.73 38.23 2dvh h TYR 44 CO -0.65 -0.23 0.63 0.00 -1.05 0.00 0.00 178.16 176.86 2dvh h ALA 45 N 0.46 1.49 -0.12 3.88 0.00 -0.60 -0.16 119.26 124.21 2dvh h ALA 45 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2dvh h ALA 45 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dvh h ALA 45 CO -0.02 0.24 -0.50 0.22 0.00 0.00 0.00 179.25 179.19 2dvh h ASP 46 N 1.01 0.36 0.00 0.00 3.58 -0.13 -3.46 116.42 117.78 2dvh h ASP 46 Ca 0.49 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2dvh h ASP 46 Cb 0.45 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2dvh h ASP 46 CO -0.26 0.81 0.00 0.61 -2.88 0.00 0.00 179.24 177.52 2dvh n GLY 47 N 0.07 0.45 0.20 -0.78 0.00 -0.07 -4.95 105.19 100.11 2dvh n GLY 47 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2dvh n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dvh h SER 48 N 0.00 -0.35 -0.41 1.61 4.64 -1.79 -3.37 113.55 113.88 2dvh h SER 48 Ca 0.00 0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.78 2dvh h SER 48 Cb 0.00 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2dvh h SER 48 CO 0.00 0.10 1.96 0.00 -0.87 0.00 0.00 176.83 178.01 2dvh n TYR 49 N -5.04 3.22 -3.82 4.77 9.36 -1.13 -4.78 117.16 119.74 2dvh n TYR 49 Ca -0.05 -2.15 0.00 0.00 3.32 0.00 0.00 57.90 59.02 2dvh n TYR 49 Cb 0.16 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.45 2dvh n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2dvh n GLY 50 N 5.16 0.66 0.00 2.98 0.00 -1.26 -3.31 105.19 109.42 2dvh n GLY 50 Ca 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2dvh n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dvh n GLY 51 N -0.13 3.89 7.00 -0.02 0.00 0.15 -4.93 105.19 111.15 2dvh n GLY 51 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2dvh n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dvh n GLU 52 N -1.22 0.00 -0.29 1.61 1.02 -1.26 -0.45 120.64 120.06 2dvh n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2dvh n GLU 52 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 2dvh n GLU 52 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2dvh h ARG 53 N 0.00 0.87 -4.92 3.49 0.11 -1.97 -3.22 114.38 108.74 2dvh h ARG 53 Ca 0.00 -0.05 -0.71 0.00 0.10 0.00 0.00 59.98 59.32 2dvh h ARG 53 Cb 0.00 -0.20 -0.11 0.00 1.11 0.00 0.00 29.97 30.78 2dvh h ARG 53 CO 0.00 0.57 2.13 1.63 0.10 0.00 0.00 179.97 184.41 2dvh n LYS 54 N -4.67 3.23 0.01 0.08 5.02 0.41 -4.38 118.16 117.87 2dvh n LYS 54 Ca 0.11 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 2dvh n LYS 54 Cb 0.17 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.92 2dvh n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dvh n ALA 55 N 6.66 3.00 0.05 7.82 0.00 -1.22 -0.67 120.51 136.14 2dvh n ALA 55 Ca 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 2dvh n ALA 55 Cb 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2dvh n ALA 55 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2dvh h MET 56 N 0.00 -0.39 -0.21 0.00 2.86 -1.86 -0.23 114.93 115.11 2dvh h MET 56 Ca 0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2dvh h MET 56 Cb 0.00 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2dvh h MET 56 CO 0.00 -0.26 -0.29 1.98 1.06 0.00 0.00 176.91 179.40 2dvh h MET 57 N -0.40 -0.31 -0.25 1.72 -1.53 -1.91 0.19 114.93 112.44 2dvh h MET 57 Ca 0.07 0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.41 2dvh h MET 57 Cb 0.50 0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 31.55 2dvh h MET 57 CO -0.25 -0.20 -0.30 1.15 0.14 0.00 0.00 176.91 177.44 2dvh h THR 58 N -0.32 0.30 -0.43 -0.77 2.02 -1.56 0.18 112.91 112.33 2dvh h THR 58 Ca 0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 2dvh h THR 58 Cb 0.51 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2dvh h THR 58 CO -0.39 0.00 -0.09 -1.13 0.37 0.00 0.00 175.52 174.29 2dvh h ASN 59 N -0.30 0.75 0.89 4.18 -0.00 -0.79 0.30 115.58 120.60 2dvh h ASN 59 Ca 0.13 -0.21 -0.04 0.00 -0.00 0.00 0.00 56.30 56.18 2dvh h ASN 59 Cb 0.52 -0.20 0.01 0.00 -0.00 0.00 0.00 38.32 38.64 2dvh h ASN 59 CO -0.42 0.87 -0.44 0.00 -0.00 0.00 0.00 177.43 177.43 2dvh h ALA 60 N 1.21 -1.21 -0.22 1.57 0.00 0.34 -2.93 119.26 118.01 2dvh h ALA 60 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2dvh h ALA 60 Cb 0.55 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2dvh h ALA 60 CO 0.03 -1.18 0.05 -0.24 0.00 0.00 0.00 179.25 177.91 2dvh h VAL 61 N -1.21 1.11 -0.78 0.00 3.04 -0.68 -2.28 116.25 115.46 2dvh h VAL 61 Ca -0.12 -0.40 0.23 0.00 -1.01 0.00 0.00 66.70 65.39 2dvh h VAL 61 Cb 0.93 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 2dvh h VAL 61 CO 0.19 0.14 0.67 0.50 -1.01 0.00 0.00 177.57 178.06 2dvh h LYS 62 N 0.31 0.00 -0.17 4.17 3.64 -0.73 0.13 116.57 123.92 2dvh h LYS 62 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2dvh h LYS 62 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2dvh h LYS 62 CO -0.00 0.00 -0.04 0.87 -2.27 0.00 0.00 179.45 178.01 2dvh h LYS 63 N 0.00 0.24 -6.47 1.90 6.56 -1.43 -3.43 116.57 113.94 2dvh h LYS 63 Ca 0.37 -0.04 -0.53 0.00 -1.06 0.00 0.00 60.65 59.39 2dvh h LYS 63 Cb 1.71 -0.04 0.02 0.00 -0.57 0.00 0.00 32.23 33.34 2dvh h LYS 63 CO -0.00 0.30 0.83 0.00 -2.06 0.00 0.00 179.45 178.52 2dvh s ALA 64 N -4.92 3.63 0.71 3.86 0.00 0.44 -5.05 121.76 120.43 2dvh s ALA 64 Ca -0.06 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 2dvh s ALA 64 Cb 0.16 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 19.77 2dvh s ALA 64 CO 0.72 -0.83 0.57 0.45 0.00 0.00 0.00 175.76 176.67 2dvh n SER 65 N 4.77 0.49 -0.12 0.00 2.88 -1.26 -4.64 113.62 115.74 2dvh n SER 65 Ca 0.13 -1.48 -0.07 0.00 -1.33 0.00 0.00 58.87 56.12 2dvh n SER 65 Cb 0.42 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 2dvh n SER 65 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2dvh h ASP 66 N -0.50 -1.03 -0.73 -3.46 3.58 -1.98 0.12 116.42 112.43 2dvh h ASP 66 Ca -0.19 0.19 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2dvh h ASP 66 Cb 0.63 0.49 -0.11 0.00 1.72 0.00 0.00 39.33 42.05 2dvh h ASP 66 CO 0.17 -0.31 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.40 2dvh h GLU 67 N -0.23 -0.16 -0.20 0.28 3.07 -1.97 0.68 114.58 116.06 2dvh h GLU 67 Ca 0.18 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2dvh h GLU 67 Cb 0.53 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2dvh h GLU 67 CO -0.54 -0.11 0.09 0.93 -1.40 0.00 0.00 179.01 177.99 2dvh h GLU 68 N -0.16 0.29 -0.30 2.33 3.07 -1.57 0.81 114.58 119.04 2dvh h GLU 68 Ca 0.18 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.03 2dvh h GLU 68 Cb 0.53 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 2dvh h GLU 68 CO -0.79 0.32 0.09 -0.07 -1.40 0.00 0.00 179.01 177.17 2dvh h LEU 69 N 0.19 0.08 0.12 1.33 3.38 -0.14 0.31 115.31 120.57 2dvh h LEU 69 Ca 0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dvh h LEU 69 Cb 0.13 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dvh h LEU 69 CO -0.01 0.08 -0.06 0.11 0.09 0.00 0.00 178.44 178.66 2dvh h LYS 70 N 0.21 -0.15 -0.26 1.13 1.57 -0.76 -2.39 116.57 115.93 2dvh h LYS 70 Ca 0.14 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2dvh h LYS 70 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2dvh h LYS 70 CO -0.15 -0.08 0.03 0.00 -0.57 0.00 0.00 179.45 178.68 2dvh h ALA 71 N 0.70 1.59 0.53 3.86 0.00 -0.44 0.60 119.26 126.09 2dvh h ALA 71 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2dvh h ALA 71 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dvh h ALA 71 CO 0.03 0.31 -0.25 -0.07 0.00 0.00 0.00 179.25 179.26 2dvh h LEU 72 N 0.37 -0.60 -0.28 0.00 3.38 -0.22 0.14 115.31 118.09 2dvh h LEU 72 Ca 0.09 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2dvh h LEU 72 Cb 0.19 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2dvh h LEU 72 CO 0.00 -0.34 -0.20 0.00 0.09 0.00 0.00 178.44 177.99 2dvh h ALA 73 N -0.43 -0.02 0.03 1.53 0.00 -0.95 -0.37 119.26 119.05 2dvh h ALA 73 Ca -0.07 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2dvh h ALA 73 Cb 0.60 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2dvh h ALA 73 CO 0.12 -0.61 -0.27 0.22 0.00 0.00 0.00 179.25 178.71 2dvh h ASP 74 N -0.18 -0.81 0.19 0.00 3.58 -0.82 0.46 116.42 118.85 2dvh h ASP 74 Ca 0.15 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.72 2dvh h ASP 74 Cb 0.41 0.32 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2dvh h ASP 74 CO -0.39 -0.35 -0.32 0.22 -2.88 0.00 0.00 179.24 175.52 2dvh h TYR 75 N -0.44 -0.88 -0.48 0.28 3.20 -0.22 -1.91 116.97 116.52 2dvh h TYR 75 Ca 0.05 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.00 2dvh h TYR 75 Cb 0.51 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 2dvh h TYR 75 CO -0.29 -0.44 0.33 0.52 -1.64 0.00 0.00 178.16 176.63 2dvh h MET 76 N -0.59 0.40 -0.92 1.82 2.86 -0.98 0.13 114.93 117.65 2dvh h MET 76 Ca 0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2dvh h MET 76 Cb 0.59 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2dvh h MET 76 CO -0.14 0.27 0.06 0.43 1.06 0.00 0.00 176.91 178.58 2dvh n SER 77 N -4.47 2.61 -2.37 1.22 7.64 0.14 -1.90 113.62 116.49 2dvh n SER 77 Ca 0.06 -2.32 -0.00 0.00 1.01 0.00 0.00 58.87 57.62 2dvh n SER 77 Cb 0.25 -0.57 0.05 0.00 -1.01 0.00 0.00 64.21 62.94 2dvh n SER 77 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2dvh n LYS 78 N 0.13 1.15 0.00 1.43 4.81 0.43 -4.96 118.16 121.15 2dvh n LYS 78 Ca 0.11 -2.47 0.00 0.00 -0.87 0.00 0.00 58.31 55.07 2dvh n LYS 78 Cb 0.61 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 35.02 2dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46