#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 -0.12 0.21 0.00 -4.77 -1.26 -4.45 116.67 106.29 2dvh s ASP 2 Ca 0.00 -0.38 -0.20 0.00 -3.30 0.00 0.00 52.55 48.68 2dvh s ASP 2 Cb 0.00 0.42 0.18 0.00 -1.09 0.00 0.00 42.92 42.43 2dvh s ASP 2 CO 0.00 -0.77 1.56 1.23 0.70 0.00 0.00 175.17 177.89 2dvh h GLY 3 N 2.63 -0.06 0.68 2.12 0.00 -1.76 -0.35 103.07 106.34 2dvh h GLY 3 Ca -0.34 0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.55 2dvh h GLY 3 CO 0.49 -0.18 -0.10 0.00 0.00 0.00 0.00 176.54 176.75 2dvh h ALA 4 N 1.20 -0.07 -0.59 3.60 0.00 -1.94 0.93 119.26 122.39 2dvh h ALA 4 Ca 0.30 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2dvh h ALA 4 Cb 0.57 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2dvh h ALA 4 CO -0.91 -0.58 0.37 0.00 0.00 0.00 0.00 179.25 178.13 2dvh h ALA 5 N 0.87 0.76 0.01 0.00 0.00 -1.76 -3.06 119.26 116.08 2dvh h ALA 5 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dvh h ALA 5 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2dvh h ALA 5 CO -0.14 0.12 -0.01 -0.07 0.00 0.00 0.00 179.25 179.16 2dvh h LEU 6 N 0.74 -0.02 -0.99 0.00 3.38 -0.64 -3.26 115.31 114.52 2dvh h LEU 6 Ca 0.23 -0.18 0.36 0.00 0.09 0.00 0.00 57.88 58.39 2dvh h LEU 6 Cb -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.56 2dvh h LEU 6 CO -0.08 0.17 0.41 0.22 0.09 0.00 0.00 178.44 179.25 2dvh h TYR 7 N -0.20 0.62 -0.97 1.13 3.20 -0.72 -0.39 116.97 119.64 2dvh h TYR 7 Ca -0.00 0.05 0.32 0.00 3.14 0.00 0.00 58.73 62.23 2dvh h TYR 7 Cb 0.19 -0.10 -0.16 0.00 1.54 0.00 0.00 36.73 38.20 2dvh h TYR 7 CO -0.01 -0.41 0.43 0.87 -1.64 0.00 0.00 178.16 177.39 2dvh h LYS 8 N 0.06 0.19 0.00 1.82 1.57 -1.62 0.22 116.57 118.80 2dvh h LYS 8 Ca 0.76 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 2dvh h LYS 8 Cb 1.88 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.15 2dvh h LYS 8 CO -0.78 0.13 0.00 0.66 -0.57 0.00 0.00 179.45 178.89 2dvh h SER 9 N 0.20 0.00 1.02 0.86 4.64 -1.29 -2.88 113.55 116.10 2dvh h SER 9 Ca 0.70 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.95 2dvh h SER 9 Cb 1.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 2dvh h SER 9 CO -0.69 0.00 -1.01 0.00 -0.87 0.00 0.00 176.83 174.26 2dvh n ILE 11 N -2.83 3.41 0.00 0.00 5.41 -1.09 -1.56 119.36 122.71 2dvh n ILE 11 Ca -0.03 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.22 2dvh n ILE 11 Cb 0.66 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 2dvh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dvh n GLY 12 N 1.26 2.98 0.13 7.39 0.00 -1.26 -4.64 105.19 111.04 2dvh n GLY 12 Ca 0.13 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2dvh n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh n HIS 14 N -3.67 0.00 -4.49 0.00 -0.00 -0.60 -2.70 115.22 103.77 2dvh n HIS 14 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.37 2dvh n HIS 14 Cb 0.97 -0.18 0.00 0.00 -0.00 0.00 0.00 29.99 30.78 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 1.43 -0.92 0.00 -1.41 0.00 -1.26 -1.95 105.19 101.08 2dvh n GLY 15 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 1.00 -0.18 -1.14 4.61 0.00 -1.26 -4.18 120.51 119.36 2dvh n ALA 16 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2dvh n ALA 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2dvh n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dvh n ASP 17 N -1.85 5.71 -2.86 0.00 5.75 -1.26 -4.77 116.55 117.27 2dvh n ASP 17 Ca 0.00 -2.75 -0.17 0.00 -0.01 0.00 0.00 54.79 51.86 2dvh n ASP 17 Cb 0.00 -1.33 -0.03 0.00 -1.03 0.00 0.00 41.12 38.73 2dvh n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dvh n GLY 18 N 1.81 -0.30 0.11 6.12 0.00 -1.23 -4.52 105.19 107.18 2dvh n GLY 18 Ca 0.43 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.26 1.88 -4.68 1.61 3.41 -0.82 -0.78 113.62 112.99 2dvh n SER 19 Ca 0.05 0.40 -0.51 0.00 -0.26 0.00 0.00 58.87 58.55 2dvh n SER 19 Cb 0.32 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 2dvh n SER 19 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2dvh n LYS 20 N -4.35 1.79 -0.73 4.33 4.81 -0.93 -4.64 118.16 118.44 2dvh n LYS 20 Ca -0.34 0.65 -0.08 0.00 -0.87 0.00 0.00 58.31 57.67 2dvh n LYS 20 Cb 0.72 -2.42 -0.12 0.00 0.02 0.00 0.00 35.03 33.24 2dvh n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dvh n ALA 21 N 5.19 4.98 -0.82 3.14 0.00 -1.26 -4.34 120.51 127.40 2dvh n ALA 21 Ca 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2dvh n ALA 21 Cb 0.24 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.49 0.00 -1.40 0.00 0.00 -1.10 -0.63 120.51 119.87 2dvh n ALA 22 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.34 2dvh n ALA 22 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.40 3.79 0.00 0.00 0.00 -1.26 -4.60 117.12 113.65 2dvh n MET 23 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.34 2dvh n MET 23 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 33.22 30.43 2dvh n MET 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dvh n GLY 24 N 3.38 -0.91 2.62 3.03 0.00 -1.22 -5.02 105.19 107.07 2dvh n GLY 24 Ca 0.76 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 47.20 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 0.00 -0.99 -4.88 1.61 7.64 -1.06 -4.85 113.62 111.10 2dvh n SER 25 Ca 0.00 -2.99 -0.30 0.00 1.01 0.00 0.00 58.87 56.58 2dvh n SER 25 Cb 0.00 0.76 0.02 0.00 -1.01 0.00 0.00 64.21 63.97 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 -0.82 3.11 0.17 -0.43 0.00 0.20 -5.00 121.76 118.98 2dvh s ALA 26 Ca 0.26 -0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.70 2dvh s ALA 26 Cb 0.37 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 2dvh s ALA 26 CO -0.05 -0.73 1.66 0.15 0.00 0.00 0.00 175.76 176.79 2dvh s LYS 27 N -5.15 4.17 0.57 0.00 1.02 -1.26 -4.53 119.74 114.56 2dvh s LYS 27 Ca 0.55 2.47 -0.20 0.00 0.02 0.00 0.00 55.97 58.80 2dvh s LYS 27 Cb -0.11 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2dvh s LYS 27 CO 0.52 -0.69 1.12 -2.30 -0.92 0.00 0.00 175.35 173.08 2dvh n PRO 28 N 4.33 1.20 -0.04 -1.68 -0.02 -1.26 -4.89 135.00 132.65 2dvh n PRO 28 Ca 0.15 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 2dvh n PRO 28 Cb 0.38 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 2dvh n PRO 28 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dvh n VAL 29 N -1.40 1.66 -1.15 -1.45 0.31 -0.52 -4.71 118.33 111.06 2dvh n VAL 29 Ca 0.12 -0.69 -0.34 0.00 -0.01 0.00 0.00 64.34 63.43 2dvh n VAL 29 Cb 0.46 -1.42 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 2dvh n VAL 29 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dvh n LYS 30 N -3.29 0.00 -3.46 5.55 4.81 0.04 -1.34 118.16 120.46 2dvh n LYS 30 Ca -0.32 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 56.89 2dvh n LYS 30 Cb 1.05 -1.18 0.07 0.00 0.02 0.00 0.00 35.03 34.99 2dvh n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dvh n GLY 31 N 5.22 -0.51 0.11 3.14 0.00 0.00 -4.90 105.19 108.26 2dvh n GLY 31 Ca 0.51 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.41 0.04 0.00 1.61 4.20 -1.46 -3.48 115.11 113.62 2dvh h GLN 32 Ca -0.55 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2dvh h GLN 32 Cb 1.36 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2dvh h GLN 32 CO 0.55 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.15 2dvh n GLY 33 N -1.20 4.45 0.33 3.46 0.00 -1.26 -4.88 105.19 106.08 2dvh n GLY 33 Ca -0.02 -0.65 0.20 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 1.71 0.31 4.61 0.00 -1.87 0.26 119.26 124.28 2dvh h ALA 34 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dvh h ALA 34 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dvh h ALA 34 CO 0.00 -0.55 -0.15 0.93 0.00 0.00 0.00 179.25 179.48 2dvh h GLU 35 N 0.26 -0.40 0.64 0.00 3.07 -1.94 0.24 114.58 116.46 2dvh h GLU 35 Ca 0.67 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.54 2dvh h GLU 35 Cb 1.49 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.49 2dvh h GLU 35 CO -0.64 -0.20 -0.42 0.93 -1.40 0.00 0.00 179.01 177.28 2dvh h GLU 36 N -0.52 -0.98 -0.49 2.33 4.39 -1.43 -1.67 114.58 116.20 2dvh h GLU 36 Ca -0.04 0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.81 2dvh h GLU 36 Cb 0.39 0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 2dvh h GLU 36 CO 0.07 -0.65 0.08 -0.07 -1.16 0.00 0.00 179.01 177.27 2dvh h LEU 37 N -1.02 -0.04 -0.03 1.33 3.38 -0.58 0.18 115.31 118.54 2dvh h LEU 37 Ca -0.08 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dvh h LEU 37 Cb 0.83 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2dvh h LEU 37 CO 0.06 0.01 -0.04 0.22 0.09 0.00 0.00 178.44 178.78 2dvh h TYR 38 N 0.21 -0.10 0.42 1.13 3.20 -0.37 0.27 116.97 121.72 2dvh h TYR 38 Ca 0.25 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2dvh h TYR 38 Cb 0.34 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2dvh h TYR 38 CO -0.24 -0.07 -0.24 -0.22 -1.64 0.00 0.00 178.16 175.76 2dvh h LYS 39 N -0.06 -0.59 -0.03 1.82 1.63 -0.71 0.57 116.57 119.20 2dvh h LYS 39 Ca 0.03 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2dvh h LYS 39 Cb 0.10 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2dvh h LYS 39 CO -0.06 -0.40 0.01 0.87 -3.45 0.00 0.00 179.45 176.42 2dvh h LYS 40 N -0.62 0.03 -0.69 1.90 1.57 -0.90 0.25 116.57 118.11 2dvh h LYS 40 Ca -0.05 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2dvh h LYS 40 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2dvh h LYS 40 CO 0.06 0.02 0.19 0.00 -0.57 0.00 0.00 179.45 179.16 2dvh h MET 41 N 0.03 1.09 -0.72 3.15 -0.00 -0.44 0.62 114.93 118.67 2dvh h MET 41 Ca 0.01 -0.25 -0.03 0.00 -0.00 0.00 0.00 59.70 59.43 2dvh h MET 41 Cb 0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 31.42 2dvh h MET 41 CO -0.01 0.95 0.32 -0.22 -0.00 0.00 0.00 176.91 177.96 2dvh h LYS 42 N 1.03 1.05 -0.45 -0.10 3.64 -0.69 0.15 116.57 121.20 2dvh h LYS 42 Ca 0.22 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2dvh h LYS 42 Cb 0.33 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 2dvh h LYS 42 CO -0.00 0.84 -0.17 0.78 -2.27 0.00 0.00 179.45 178.63 2dvh h GLY 43 N 1.02 0.20 1.35 5.01 0.00 0.57 0.11 103.07 111.33 2dvh h GLY 43 Ca 0.24 0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.61 2dvh h GLY 43 CO -0.03 -0.20 -0.64 -0.97 0.00 0.00 0.00 176.54 174.71 2dvh h TYR 44 N -0.08 0.86 -0.33 5.60 0.05 -0.53 0.32 116.97 122.86 2dvh h TYR 44 Ca 0.22 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2dvh h TYR 44 Cb 0.41 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2dvh h TYR 44 CO -0.44 1.12 0.21 0.00 -1.05 0.00 0.00 178.16 178.00 2dvh h ALA 45 N 0.80 0.42 -0.32 3.88 0.00 0.05 -2.59 119.26 121.50 2dvh h ALA 45 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2dvh h ALA 45 Cb 1.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dvh h ALA 45 CO 0.13 -0.10 -0.23 0.22 0.00 0.00 0.00 179.25 179.27 2dvh h ASP 46 N 0.43 0.75 0.00 0.00 3.58 -0.84 -3.40 116.42 116.94 2dvh h ASP 46 Ca 0.12 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2dvh h ASP 46 Cb -0.02 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.82 2dvh h ASP 46 CO -0.02 1.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.98 2dvh n GLY 47 N 0.05 1.72 0.11 -0.78 0.00 0.78 -5.02 105.19 102.05 2dvh n GLY 47 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 0.11 -4.17 1.61 4.64 -0.84 -3.48 113.55 111.43 2dvh h SER 48 Ca 0.00 -0.63 -0.48 0.00 -0.47 0.00 0.00 61.79 60.21 2dvh h SER 48 Cb 0.00 -0.04 0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2dvh h SER 48 CO 0.00 1.58 0.38 -0.47 -0.87 0.00 0.00 176.83 177.45 2dvh s TYR 49 N -2.41 3.16 0.00 4.77 5.04 -0.94 -4.95 117.35 122.02 2dvh s TYR 49 Ca -0.27 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 2dvh s TYR 49 Cb 0.06 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.43 2dvh s TYR 49 CO 0.64 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 2dvh n GLY 50 N -1.04 2.65 0.00 8.97 0.00 -1.26 -4.54 105.19 109.97 2dvh n GLY 50 Ca 0.08 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.05 0.75 1.41 -0.02 0.00 -1.26 -4.38 105.19 101.74 2dvh n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dvh n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dvh n GLU 52 N -0.92 0.98 0.00 1.61 0.00 -1.26 -4.79 120.64 116.26 2dvh n GLU 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2dvh n GLU 52 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 31.44 30.43 2dvh n GLU 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2dvh n ARG 53 N 1.31 0.00 -2.54 3.44 3.00 -1.26 -3.73 116.66 116.88 2dvh n ARG 53 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 2dvh n ARG 53 Cb 0.49 -0.94 0.01 0.00 0.00 0.00 0.00 32.46 32.02 2dvh n ARG 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2dvh n LYS 54 N 0.00 -1.37 0.00 -0.14 5.02 -1.26 -4.54 118.16 115.87 2dvh n LYS 54 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2dvh n LYS 54 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 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 -2.48 0.00 0.03 7.82 0.00 -1.24 0.10 120.51 124.73 2dvh n ALA 55 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2dvh n ALA 55 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2dvh n ALA 55 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2dvh h MET 56 N 0.00 -0.36 -0.12 0.00 1.85 -1.94 0.59 114.93 114.95 2dvh h MET 56 Ca 0.00 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2dvh h MET 56 Cb 0.00 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2dvh h MET 56 CO 0.00 -0.24 0.07 1.98 -0.40 0.00 0.00 176.91 178.32 2dvh h MET 57 N -0.38 0.16 -0.38 0.39 -1.53 -0.72 -0.26 114.93 112.22 2dvh h MET 57 Ca 0.08 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.38 2dvh h MET 57 Cb 0.50 -0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 31.43 2dvh h MET 57 CO -0.29 0.17 -0.51 1.15 0.14 0.00 0.00 176.91 177.57 2dvh h THR 58 N 0.11 0.04 -0.53 -0.77 2.02 -0.24 0.97 112.91 114.52 2dvh h THR 58 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 2dvh h THR 58 Cb 0.05 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 2dvh h THR 58 CO -0.01 0.00 -0.09 -1.13 0.37 0.00 0.00 175.52 174.67 2dvh h ASN 59 N -0.39 0.99 -0.22 4.18 -0.00 -0.84 0.71 115.58 120.00 2dvh h ASN 59 Ca 0.09 -0.35 0.02 0.00 -0.00 0.00 0.00 56.30 56.07 2dvh h ASN 59 Cb 0.60 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 2dvh h ASN 59 CO -0.57 1.10 0.09 0.00 -0.00 0.00 0.00 177.43 178.04 2dvh h ALA 60 N 0.92 0.25 0.01 1.57 0.00 -0.24 -2.81 119.26 118.96 2dvh h ALA 60 Ca 0.14 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2dvh h ALA 60 Cb 0.65 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dvh h ALA 60 CO 0.04 -0.33 -0.90 -0.24 0.00 0.00 0.00 179.25 177.82 2dvh h VAL 61 N 0.19 1.61 -0.49 0.00 3.04 -0.79 -3.27 116.25 116.55 2dvh h VAL 61 Ca 0.09 -2.99 0.14 0.00 -1.01 0.00 0.00 66.70 62.94 2dvh h VAL 61 Cb 0.05 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 2dvh h VAL 61 CO -0.09 0.86 0.53 0.50 -1.01 0.00 0.00 177.57 178.35 2dvh h LYS 62 N 0.02 0.00 0.00 4.17 3.64 -0.57 0.48 116.57 124.30 2dvh h LYS 62 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2dvh h LYS 62 Cb 1.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2dvh h LYS 62 CO 0.12 0.00 -0.04 0.87 -2.27 0.00 0.00 179.45 178.13 2dvh h LYS 63 N 0.00 0.00 -6.26 1.90 1.79 -1.60 -3.42 116.57 108.98 2dvh h LYS 63 Ca 0.23 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.14 2dvh h LYS 63 Cb 1.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 2dvh h LYS 63 CO -0.00 0.04 1.13 0.00 -1.08 0.00 0.00 179.45 179.53 2dvh s ALA 64 N -4.31 3.35 -0.00 3.86 0.00 0.16 -4.96 121.76 119.86 2dvh s ALA 64 Ca -0.04 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2dvh s ALA 64 Cb 0.14 -3.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 2dvh s ALA 64 CO 0.52 -1.82 0.53 0.77 0.00 0.00 0.00 175.76 175.76 2dvh h SER 65 N 10.54 -0.07 0.00 0.00 0.02 -1.88 -3.42 113.55 118.74 2dvh h SER 65 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2dvh h SER 65 Cb 1.16 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dvh h SER 65 CO 0.99 -0.02 0.00 -0.67 -1.14 0.00 0.00 176.83 175.99 2dvh n ASP 66 N -2.41 -4.18 -0.20 3.07 2.03 -1.26 -4.75 116.55 108.85 2dvh n ASP 66 Ca -0.01 0.92 0.01 0.00 0.52 0.00 0.00 54.79 56.23 2dvh n ASP 66 Cb 0.03 3.87 0.09 0.00 -0.72 0.00 0.00 41.12 44.40 2dvh n ASP 66 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dvh h GLU 67 N 0.00 0.10 0.08 -0.67 3.07 -1.94 -0.91 114.58 114.30 2dvh h GLU 67 Ca 0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2dvh h GLU 67 Cb 0.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 2dvh h GLU 67 CO 0.00 0.07 -0.33 0.93 -1.40 0.00 0.00 179.01 178.28 2dvh h GLU 68 N 0.10 -0.50 0.06 2.33 3.07 -1.91 0.50 114.58 118.23 2dvh h GLU 68 Ca 0.32 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.24 2dvh h GLU 68 Cb 0.51 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.49 2dvh h GLU 68 CO -0.53 -0.34 -0.35 -0.07 -1.40 0.00 0.00 179.01 176.32 2dvh h LEU 69 N -0.52 -1.04 0.13 1.33 3.38 -1.46 0.33 115.31 117.46 2dvh h LEU 69 Ca 0.04 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dvh h LEU 69 Cb 0.57 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2dvh h LEU 69 CO -0.22 -0.42 -0.15 0.11 0.09 0.00 0.00 178.44 177.85 2dvh h LYS 70 N -0.55 -0.30 -0.05 1.13 1.57 -1.19 -2.40 116.57 114.79 2dvh h LYS 70 Ca 0.04 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2dvh h LYS 70 Cb 0.60 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2dvh h LYS 70 CO -0.24 -0.20 -0.08 0.00 -0.57 0.00 0.00 179.45 178.35 2dvh h ALA 71 N 0.52 1.77 -0.23 3.86 0.00 -0.59 0.12 119.26 124.71 2dvh h ALA 71 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2dvh h ALA 71 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dvh h ALA 71 CO -0.05 0.17 -0.24 1.25 0.00 0.00 0.00 179.25 180.37 2dvh h LEU 72 N 0.07 0.61 0.26 0.00 5.85 0.02 0.13 115.31 122.26 2dvh h LEU 72 Ca 0.02 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2dvh h LEU 72 Cb 0.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2dvh h LEU 72 CO 0.01 0.97 -0.12 0.00 -0.34 0.00 0.00 178.44 178.96 2dvh h ALA 73 N 0.66 -0.34 -0.43 1.25 0.00 -0.94 -0.43 119.26 119.01 2dvh h ALA 73 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2dvh h ALA 73 Cb 0.80 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2dvh h ALA 73 CO 0.06 -0.68 -0.02 -0.44 0.00 0.00 0.00 179.25 178.16 2dvh h ASP 74 N -0.37 -0.23 0.52 0.00 3.32 -0.89 0.17 116.42 118.94 2dvh h ASP 74 Ca -0.04 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2dvh h ASP 74 Cb 0.28 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2dvh h ASP 74 CO 0.06 -0.08 -0.51 0.22 -1.72 0.00 0.00 179.24 177.21 2dvh h TYR 75 N 0.08 -1.41 -0.05 4.55 5.03 -0.54 -2.12 116.97 122.52 2dvh h TYR 75 Ca 0.22 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.55 2dvh h TYR 75 Cb 0.32 0.55 -0.00 0.00 1.55 0.00 0.00 36.73 39.14 2dvh h TYR 75 CO -0.31 -0.68 0.06 0.52 -1.32 0.00 0.00 178.16 176.43 2dvh h MET 76 N -1.03 0.00 0.00 1.82 2.86 -0.70 0.89 114.93 118.77 2dvh h MET 76 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2dvh h MET 76 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2dvh h MET 76 CO -0.05 0.00 0.00 0.45 1.06 0.00 0.00 176.91 178.37 2dvh n SER 77 N -3.87 0.00 -2.93 1.22 2.88 0.56 -0.82 113.62 110.66 2dvh n SER 77 Ca -0.02 -0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 56.79 2dvh n SER 77 Cb 0.15 -0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.12 1.05 0.00 -1.46 5.02 0.30 -4.70 118.16 117.24 2dvh n LYS 78 Ca 0.19 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 2dvh n LYS 78 Cb 0.15 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77