#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 -0.43 0.00 0.00 -4.77 -1.26 -4.31 116.67 105.90 2dvh s ASP 2 Ca 0.00 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 2dvh s ASP 2 Cb 0.00 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.48 2dvh s ASP 2 CO 0.00 -0.37 0.00 0.61 0.70 0.00 0.00 175.17 176.11 2dvh n GLY 3 N 1.82 0.00 0.30 2.12 0.00 -1.25 -0.55 105.19 107.63 2dvh n GLY 3 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.01 -0.70 4.61 0.00 -1.92 0.73 119.26 122.98 2dvh h ALA 4 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dvh h ALA 4 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2dvh h ALA 4 CO 0.00 -0.45 0.42 0.00 0.00 0.00 0.00 179.25 179.22 2dvh h ALA 5 N 1.77 0.89 -0.32 0.00 0.00 -1.25 -2.83 119.26 117.52 2dvh h ALA 5 Ca 0.49 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 2dvh h ALA 5 Cb 0.92 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2dvh h ALA 5 CO -0.69 0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 178.77 2dvh h LEU 6 N 0.95 0.62 -0.97 0.00 4.07 -1.00 -3.20 115.31 115.79 2dvh h LEU 6 Ca 0.25 -0.37 0.19 0.00 0.08 0.00 0.00 57.88 58.03 2dvh h LEU 6 Cb -0.02 -0.17 -0.11 0.00 1.08 0.00 0.00 40.66 41.44 2dvh h LEU 6 CO -0.05 0.85 0.56 0.22 -1.08 0.00 0.00 178.44 178.94 2dvh h TYR 7 N 0.39 0.97 -0.99 1.13 3.20 -0.89 -1.31 116.97 119.48 2dvh h TYR 7 Ca 0.08 0.04 0.33 0.00 3.14 0.00 0.00 58.73 62.31 2dvh h TYR 7 Cb 0.58 -0.28 -0.15 0.00 1.54 0.00 0.00 36.73 38.42 2dvh h TYR 7 CO 0.05 0.17 0.52 0.87 -1.64 0.00 0.00 178.16 178.13 2dvh h LYS 8 N 0.68 0.25 -0.11 1.82 1.79 -1.53 0.28 116.57 119.75 2dvh h LYS 8 Ca 0.57 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.86 2dvh h LYS 8 Cb 0.92 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2dvh h LYS 8 CO -0.41 0.17 -0.56 0.77 -1.08 0.00 0.00 179.45 178.34 2dvh h SER 9 N 0.26 0.68 -0.65 0.86 0.02 -1.43 -3.30 113.55 109.99 2dvh h SER 9 Ca 0.73 -0.64 0.14 0.00 -0.84 0.00 0.00 61.79 61.18 2dvh h SER 9 Cb 1.69 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 2dvh h SER 9 CO -0.64 1.21 0.44 0.00 -1.14 0.00 0.00 176.83 176.70 2dvh h ILE 11 N 0.28 0.31 -1.00 0.00 2.04 -1.24 0.96 117.51 118.86 2dvh h ILE 11 Ca 0.31 -0.09 0.24 0.00 1.00 0.00 0.00 64.86 66.32 2dvh h ILE 11 Cb 0.83 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 2dvh h ILE 11 CO -0.07 0.05 0.65 1.23 0.00 0.00 0.00 178.15 180.00 2dvh h GLY 12 N 0.27 1.19 0.00 5.37 0.00 -1.37 0.28 103.07 108.81 2dvh h GLY 12 Ca 0.72 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 2dvh h GLY 12 CO -0.45 -0.09 -1.45 0.00 0.00 0.00 0.00 176.54 174.54 2dvh n HIS 14 N -1.98 0.00 -2.42 0.00 -0.00 -0.34 -3.70 115.22 106.78 2dvh n HIS 14 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2dvh n HIS 14 Cb 0.42 -0.35 -0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2dvh n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dvh n GLY 15 N 1.77 -2.13 0.00 -1.41 0.00 0.97 -0.39 105.19 104.00 2dvh n GLY 15 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.44 -0.27 -1.17 4.61 0.00 -1.26 -3.71 120.51 118.26 2dvh n ALA 16 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2dvh n ALA 16 Cb 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 2dvh n ALA 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dvh n ASP 17 N -1.55 5.95 -3.74 0.00 9.92 -1.26 -4.82 116.55 121.04 2dvh n ASP 17 Ca 0.00 -2.67 -0.06 0.00 -0.53 0.00 0.00 54.79 51.53 2dvh n ASP 17 Cb 0.00 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.09 2dvh n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dvh n GLY 18 N 2.21 -0.10 0.00 0.44 0.00 -1.24 -4.39 105.19 102.11 2dvh n GLY 18 Ca 0.48 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2dvh n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dvh n SER 19 N 0.55 0.00 -4.76 1.61 7.64 0.47 -0.39 113.62 118.75 2dvh n SER 19 Ca -0.01 -0.54 -0.31 0.00 1.01 0.00 0.00 58.87 59.01 2dvh n SER 19 Cb 0.07 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.36 2dvh n SER 19 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dvh s LYS 20 N 0.00 2.24 0.04 1.43 -2.85 -0.18 -4.91 119.74 115.51 2dvh s LYS 20 Ca 0.00 1.26 -0.30 0.00 -1.00 0.00 0.00 55.97 55.93 2dvh s LYS 20 Cb 0.00 -1.89 -0.08 0.00 -2.06 0.00 0.00 37.83 33.80 2dvh s LYS 20 CO 0.00 -1.66 1.76 0.00 0.10 0.00 0.00 175.35 175.54 2dvh s ALA 21 N -2.75 3.65 0.00 0.59 0.00 -1.26 -4.69 121.76 117.31 2dvh s ALA 21 Ca 0.63 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2dvh s ALA 21 Cb -0.19 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2dvh s ALA 21 CO 0.53 -1.31 0.00 0.00 0.00 0.00 0.00 175.76 174.98 2dvh n ALA 22 N 6.48 0.00 -1.54 0.00 0.00 -1.24 -4.80 120.51 119.41 2dvh n ALA 22 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2dvh n ALA 22 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 2.02 0.00 0.00 2.81 -1.26 -4.78 117.12 115.90 2dvh n MET 23 Ca 0.00 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 2dvh n MET 23 Cb 0.00 -3.17 0.00 0.00 -0.71 0.00 0.00 33.22 29.34 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 4.65 -1.80 3.64 3.03 0.00 -1.26 -4.87 105.19 108.57 2dvh n GLY 24 Ca 0.50 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2dvh n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dvh s SER 25 N -4.00 6.27 0.04 1.61 1.04 -1.26 -4.83 113.70 112.57 2dvh s SER 25 Ca 0.00 2.02 0.02 0.00 0.48 0.00 0.00 55.95 58.47 2dvh s SER 25 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2dvh s SER 25 CO 0.00 -1.28 -0.07 0.00 0.98 0.00 0.00 173.24 172.86 2dvh s ALA 26 N 5.40 0.52 0.26 5.32 0.00 -1.26 -5.00 121.76 127.01 2dvh s ALA 26 Ca 0.81 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 2dvh s ALA 26 Cb -0.32 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 2dvh s ALA 26 CO 0.33 -0.03 1.61 0.15 0.00 0.00 0.00 175.76 177.82 2dvh s LYS 27 N -1.53 4.14 0.35 0.00 -0.14 -1.26 -4.88 119.74 116.42 2dvh s LYS 27 Ca -0.10 2.55 -0.27 0.00 -1.36 0.00 0.00 55.97 56.78 2dvh s LYS 27 Cb -0.10 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 32.91 2dvh s LYS 27 CO 0.00 -0.64 1.17 -1.25 -0.76 0.00 0.00 175.35 173.87 2dvh s PRO 28 N 0.01 4.29 0.19 -1.68 0.04 -1.26 -4.93 135.00 131.65 2dvh s PRO 28 Ca 0.66 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.54 2dvh s PRO 28 Cb -0.47 -2.89 0.10 0.00 0.04 0.00 0.00 34.50 31.28 2dvh s PRO 28 CO 0.43 -0.13 1.52 0.28 0.04 0.00 0.00 177.00 179.14 2dvh h VAL 29 N 2.67 1.30 0.00 -0.36 2.07 -1.06 -3.44 116.25 117.44 2dvh h VAL 29 Ca -0.48 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 2dvh h VAL 29 Cb 1.22 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2dvh h VAL 29 CO 0.64 0.54 0.01 1.17 0.02 0.00 0.00 177.57 179.95 2dvh n LYS 30 N -3.99 0.00 -4.34 1.57 3.00 -0.04 -0.86 118.16 113.49 2dvh n LYS 30 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.96 2dvh n LYS 30 Cb 0.58 -0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.50 2dvh n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dvh n GLY 31 N 0.02 -0.16 0.30 3.14 0.00 0.14 -4.86 105.19 103.78 2dvh n GLY 31 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2dvh n GLY 31 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dvh h GLN 32 N -1.66 -0.41 0.00 1.61 4.20 -1.27 -3.48 115.11 114.11 2dvh h GLN 32 Ca -0.65 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.09 2dvh h GLN 32 Cb 1.39 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.27 2dvh h GLN 32 CO 0.73 -0.27 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 2dvh n GLY 33 N -1.39 4.22 0.33 3.46 0.00 -1.26 -4.90 105.19 105.65 2dvh n GLY 33 Ca -0.05 -0.58 0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 1.67 0.57 4.61 0.00 -1.86 0.24 119.26 124.49 2dvh h ALA 34 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dvh h ALA 34 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2dvh h ALA 34 CO 0.00 -0.38 -0.27 1.05 0.00 0.00 0.00 179.25 179.65 2dvh h GLU 35 N 0.43 -0.73 0.69 0.00 9.09 -1.94 0.23 114.58 122.36 2dvh h GLU 35 Ca 0.63 0.05 -0.03 0.00 0.05 0.00 0.00 59.36 60.06 2dvh h GLU 35 Cb 1.27 0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.52 2dvh h GLU 35 CO -0.54 -0.49 -0.49 0.93 0.05 0.00 0.00 179.01 178.47 2dvh h GLU 36 N -0.76 -1.09 -0.58 1.06 4.39 -1.57 -0.93 114.58 115.09 2dvh h GLU 36 Ca -0.08 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.78 2dvh h GLU 36 Cb 0.58 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 2dvh h GLU 36 CO 0.13 -0.73 0.23 -0.07 -1.16 0.00 0.00 179.01 177.41 2dvh h LEU 37 N -1.14 0.26 0.28 1.33 3.38 -0.61 0.11 115.31 118.92 2dvh h LEU 37 Ca -0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dvh h LEU 37 Cb 0.93 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dvh h LEU 37 CO 0.05 0.16 -0.17 0.22 0.09 0.00 0.00 178.44 178.79 2dvh h TYR 38 N 0.43 -0.45 -0.34 1.13 3.20 -0.38 0.26 116.97 120.81 2dvh h TYR 38 Ca 0.28 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2dvh h TYR 38 Cb 0.32 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2dvh h TYR 38 CO -0.15 -0.27 0.19 0.87 -1.64 0.00 0.00 178.16 177.15 2dvh h LYS 39 N -0.44 0.38 -0.03 1.82 1.57 -0.51 0.21 116.57 119.55 2dvh h LYS 39 Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2dvh h LYS 39 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2dvh h LYS 39 CO 0.03 0.25 0.00 0.87 -0.57 0.00 0.00 179.45 180.03 2dvh h LYS 40 N 0.39 0.06 -0.83 3.15 6.56 -0.72 0.22 116.57 125.39 2dvh h LYS 40 Ca 0.14 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.68 2dvh h LYS 40 Cb 0.02 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 2dvh h LYS 40 CO -0.07 0.33 0.39 0.00 -2.06 0.00 0.00 179.45 178.03 2dvh h MET 41 N -0.22 1.19 -0.11 3.15 -0.00 -0.35 0.12 114.93 118.71 2dvh h MET 41 Ca 0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 2dvh h MET 41 Cb 0.30 -0.21 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2dvh h MET 41 CO 0.00 0.92 0.07 -0.22 -0.00 0.00 0.00 176.91 177.68 2dvh h LYS 42 N 1.18 0.15 -0.45 -0.10 3.64 -0.54 0.48 116.57 120.93 2dvh h LYS 42 Ca 0.28 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 2dvh h LYS 42 Cb 0.12 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 2dvh h LYS 42 CO -0.03 0.12 -0.16 0.78 -2.27 0.00 0.00 179.45 177.89 2dvh h GLY 43 N 0.13 0.22 0.90 5.01 0.00 0.34 0.17 103.07 109.85 2dvh h GLY 43 Ca 0.04 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2dvh h GLY 43 CO -0.01 -0.19 -0.37 -0.97 0.00 0.00 0.00 176.54 175.00 2dvh h TYR 44 N -0.06 -0.97 -0.67 5.60 0.05 -0.56 0.32 116.97 120.67 2dvh h TYR 44 Ca 0.22 -0.02 0.13 0.00 0.05 0.00 0.00 58.73 59.10 2dvh h TYR 44 Cb 0.39 0.32 -0.09 0.00 1.01 0.00 0.00 36.73 38.36 2dvh h TYR 44 CO -0.43 -0.59 0.18 0.00 -1.05 0.00 0.00 178.16 176.28 2dvh h ALA 45 N -1.03 0.85 -0.17 3.88 0.00 -0.54 -1.07 119.26 121.17 2dvh h ALA 45 Ca -0.11 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2dvh h ALA 45 Cb 0.82 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dvh h ALA 45 CO 0.18 -0.29 -0.55 0.22 0.00 0.00 0.00 179.25 178.81 2dvh h ASP 46 N 0.31 0.57 0.00 0.00 3.58 -0.68 -3.43 116.42 116.78 2dvh h ASP 46 Ca 0.36 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2dvh h ASP 46 Cb 0.56 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2dvh h ASP 46 CO -0.43 1.01 0.00 0.61 -2.88 0.00 0.00 179.24 177.55 2dvh n GLY 47 N 0.25 0.98 0.17 -0.78 0.00 0.64 -4.99 105.19 101.46 2dvh n GLY 47 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 0.88 -3.27 1.61 4.64 -0.80 -3.44 113.55 113.18 2dvh h SER 48 Ca 0.00 -0.82 -0.66 0.00 -0.47 0.00 0.00 61.79 59.84 2dvh h SER 48 Cb 0.00 -0.28 -0.16 0.00 -0.31 0.00 0.00 62.40 61.66 2dvh h SER 48 CO 0.00 1.61 -0.61 -0.47 -0.87 0.00 0.00 176.83 176.49 2dvh s TYR 49 N -2.99 3.18 -3.04 4.77 5.04 -0.52 -4.98 117.35 118.81 2dvh s TYR 49 Ca -0.10 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 2dvh s TYR 49 Cb 0.05 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.49 2dvh s TYR 49 CO 0.93 0.35 0.00 0.41 -1.34 0.00 0.00 175.55 175.90 2dvh n GLY 50 N 2.61 -1.32 0.00 8.97 0.00 -1.26 -3.43 105.19 110.77 2dvh n GLY 50 Ca -0.18 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.66 0.04 -0.02 0.00 -1.26 -4.96 105.19 99.66 2dvh n GLY 51 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 2dvh n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dvh h GLU 52 N 0.00 -0.00 0.00 1.61 3.07 -2.03 0.54 114.58 117.77 2dvh h GLU 52 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dvh h GLU 52 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2dvh h GLU 52 CO 0.00 -0.00 -0.01 0.07 -1.40 0.00 0.00 179.01 177.67 2dvh h ARG 53 N -0.00 0.00 0.00 2.33 0.11 -1.97 -1.61 114.38 113.24 2dvh h ARG 53 Ca 0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 2dvh h ARG 53 Cb 0.04 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 2dvh h ARG 53 CO -0.08 0.01 -0.13 0.87 0.10 0.00 0.00 179.97 180.74 2dvh h LYS 54 N 0.00 0.00 -0.89 0.08 1.79 -1.28 -3.35 116.57 112.92 2dvh h LYS 54 Ca -0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 2dvh h LYS 54 Cb 0.03 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.52 2dvh h LYS 54 CO 0.00 0.13 -0.29 0.00 -1.08 0.00 0.00 179.45 178.21 2dvh h ALA 55 N 1.87 0.40 0.25 3.86 0.00 -0.73 0.32 119.26 125.23 2dvh h ALA 55 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dvh h ALA 55 Cb 0.75 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2dvh h ALA 55 CO 0.02 -0.49 -0.23 1.98 0.00 0.00 0.00 179.25 180.52 2dvh h MET 56 N -0.02 -0.49 -0.59 0.00 1.85 -1.81 -2.26 114.93 111.62 2dvh h MET 56 Ca 0.38 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.59 2dvh h MET 56 Cb 0.63 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.71 2dvh h MET 56 CO -0.92 -0.33 0.24 1.98 -0.40 0.00 0.00 176.91 177.49 2dvh h MET 57 N -0.51 0.43 -0.13 0.39 -1.53 -1.44 -0.21 114.93 111.92 2dvh h MET 57 Ca -0.01 -0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.27 2dvh h MET 57 Cb 0.47 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 31.35 2dvh h MET 57 CO -0.04 0.28 -0.44 1.15 0.14 0.00 0.00 176.91 178.00 2dvh h THR 58 N 0.44 0.12 -0.38 -0.77 2.02 0.00 0.17 112.91 114.52 2dvh h THR 58 Ca 0.29 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.38 2dvh h THR 58 Cb 0.32 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2dvh h THR 58 CO -0.27 0.00 -0.11 -1.13 0.37 0.00 0.00 175.52 174.38 2dvh h ASN 59 N -0.51 0.64 0.14 4.18 -0.00 -1.09 0.52 115.58 119.46 2dvh h ASN 59 Ca 0.07 -0.18 0.01 0.00 -0.00 0.00 0.00 56.30 56.20 2dvh h ASN 59 Cb 0.64 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.77 2dvh h ASN 59 CO -0.41 0.79 -0.16 0.00 -0.00 0.00 0.00 177.43 177.65 2dvh h ALA 60 N 1.28 -0.29 0.00 1.57 0.00 0.41 -2.74 119.26 119.49 2dvh h ALA 60 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2dvh h ALA 60 Cb 0.54 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2dvh h ALA 60 CO 0.03 -0.69 -0.56 -0.39 0.00 0.00 0.00 179.25 177.65 2dvh h VAL 61 N -0.33 1.35 -1.21 0.00 -1.51 -0.61 -3.19 116.25 110.74 2dvh h VAL 61 Ca 0.01 -1.94 0.35 0.00 -1.23 0.00 0.00 66.70 63.89 2dvh h VAL 61 Cb 0.32 2.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.48 2dvh h VAL 61 CO -0.05 0.55 0.84 0.50 -1.23 0.00 0.00 177.57 178.18 2dvh h LYS 62 N 0.00 0.10 -0.56 5.19 1.63 -0.56 0.11 116.57 122.47 2dvh h LYS 62 Ca -0.01 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 2dvh h LYS 62 Cb 1.02 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 2dvh h LYS 62 CO 0.07 0.07 0.37 0.87 -3.45 0.00 0.00 179.45 177.38 2dvh h LYS 63 N 0.10 0.49 -6.42 1.90 6.56 -1.60 -3.42 116.57 114.18 2dvh h LYS 63 Ca 0.61 -0.03 -0.53 0.00 -1.06 0.00 0.00 60.65 59.64 2dvh h LYS 63 Cb 2.20 -0.11 0.02 0.00 -0.57 0.00 0.00 32.23 33.77 2dvh h LYS 63 CO -0.11 0.32 1.09 0.00 -2.06 0.00 0.00 179.45 178.70 2dvh s ALA 64 N -5.46 3.68 -0.00 3.86 0.00 0.38 -4.96 121.76 119.25 2dvh s ALA 64 Ca -0.08 1.27 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 2dvh s ALA 64 Cb 0.19 -3.75 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2dvh s ALA 64 CO 0.75 -1.28 0.16 0.77 0.00 0.00 0.00 175.76 176.15 2dvh h SER 65 N 9.07 -0.01 0.00 0.00 0.02 -1.87 -3.43 113.55 117.32 2dvh h SER 65 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dvh h SER 65 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2dvh h SER 65 CO 0.94 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.74 2dvh n ASP 66 N -2.13 -2.14 -0.09 3.07 5.75 -1.26 -4.75 116.55 115.01 2dvh n ASP 66 Ca -0.00 0.49 -0.06 0.00 -0.01 0.00 0.00 54.79 55.20 2dvh n ASP 66 Cb 0.00 2.19 0.00 0.00 -1.03 0.00 0.00 41.12 42.29 2dvh n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dvh h GLU 67 N 0.00 0.04 -0.10 0.11 4.22 -1.95 -1.17 114.58 115.74 2dvh h GLU 67 Ca 0.00 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 2dvh h GLU 67 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2dvh h GLU 67 CO 0.00 0.03 -0.22 0.93 -2.18 0.00 0.00 179.01 177.57 2dvh h GLU 68 N 0.04 -0.28 0.14 1.92 3.07 -1.91 0.12 114.58 117.68 2dvh h GLU 68 Ca 0.16 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2dvh h GLU 68 Cb 0.23 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 2dvh h GLU 68 CO -0.30 -0.19 -0.30 -0.07 -1.40 0.00 0.00 179.01 176.76 2dvh h LEU 69 N -0.29 -0.84 0.08 1.33 3.38 -1.61 0.29 115.31 117.65 2dvh h LEU 69 Ca 0.09 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dvh h LEU 69 Cb 0.42 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2dvh h LEU 69 CO -0.27 -0.39 -0.11 0.11 0.09 0.00 0.00 178.44 177.87 2dvh h LYS 70 N -0.53 -0.23 -0.19 1.13 1.57 -1.04 -2.33 116.57 114.95 2dvh h LYS 70 Ca 0.03 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2dvh h LYS 70 Cb 0.55 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2dvh h LYS 70 CO -0.16 -0.15 -0.08 0.00 -0.57 0.00 0.00 179.45 178.49 2dvh h ALA 71 N 0.65 1.52 -0.27 3.86 0.00 -0.57 -0.55 119.26 123.90 2dvh h ALA 71 Ca 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2dvh h ALA 71 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2dvh h ALA 71 CO -0.05 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.78 2dvh h LEU 72 N 0.28 0.48 0.24 0.00 5.85 -0.05 0.10 115.31 122.21 2dvh h LEU 72 Ca 0.06 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2dvh h LEU 72 Cb 0.32 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2dvh h LEU 72 CO 0.02 0.68 -0.14 0.00 -0.34 0.00 0.00 178.44 178.65 2dvh h ALA 73 N 0.82 -0.35 -0.30 1.25 0.00 -1.05 0.36 119.26 119.99 2dvh h ALA 73 Ca 0.08 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2dvh h ALA 73 Cb 0.44 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2dvh h ALA 73 CO 0.02 -0.70 -0.16 0.22 0.00 0.00 0.00 179.25 178.62 2dvh h ASP 74 N -0.36 -0.53 0.44 0.00 3.58 -0.95 0.18 116.42 118.79 2dvh h ASP 74 Ca -0.02 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2dvh h ASP 74 Cb 0.30 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2dvh h ASP 74 CO 0.03 -0.19 -0.38 0.22 -2.88 0.00 0.00 179.24 176.03 2dvh h TYR 75 N -0.12 -1.04 -0.27 0.28 5.03 -0.64 -2.30 116.97 117.90 2dvh h TYR 75 Ca 0.16 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.55 2dvh h TYR 75 Cb 0.36 0.40 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 2dvh h TYR 75 CO -0.35 -0.55 0.20 0.52 -1.32 0.00 0.00 178.16 176.66 2dvh h MET 76 N -0.83 0.00 0.00 1.82 2.86 -0.62 -0.51 114.93 117.65 2dvh h MET 76 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dvh h MET 76 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2dvh h MET 76 CO -0.03 0.00 0.00 0.45 1.06 0.00 0.00 176.91 178.39 2dvh n SER 77 N -4.41 0.00 -2.61 1.22 2.88 0.60 -2.85 113.62 108.45 2dvh n SER 77 Ca 0.03 -0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.32 2dvh n SER 77 Cb 0.36 -0.19 0.03 0.00 -0.75 0.00 0.00 64.21 63.65 2dvh n SER 77 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dvh n LYS 78 N -1.19 2.01 0.00 -1.46 5.02 -0.20 -4.68 118.16 117.66 2dvh n LYS 78 Ca 0.10 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.74 2dvh n LYS 78 Cb 0.11 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77