#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsy n GLY 5 N 0.00 -0.27 0.19 -0.02 0.00 -1.26 -4.74 105.19 99.09 2dsy n GLY 5 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2dsy n GLY 5 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2dsy h THR 6 N -0.51 0.88 0.17 2.61 2.02 -1.99 0.76 112.91 116.85 2dsy h THR 6 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2dsy h THR 6 Cb 0.01 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2dsy h THR 6 CO 0.00 0.07 -0.08 -0.07 0.37 0.00 0.00 175.52 175.81 2dsy h LEU 7 N 0.37 -0.19 -0.77 2.58 3.38 -2.00 -2.88 115.31 115.79 2dsy h LEU 7 Ca 0.21 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2dsy h LEU 7 Cb 0.19 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2dsy h LEU 7 CO -0.20 0.15 -0.51 0.71 0.09 0.00 0.00 178.44 178.67 2dsy h THR 8 N -0.55 1.16 -0.56 0.22 1.35 -1.92 -1.79 112.91 110.82 2dsy h THR 8 Ca -0.02 -1.90 -0.03 0.00 -0.55 0.00 0.00 66.41 63.91 2dsy h THR 8 Cb 0.42 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 2dsy h THR 8 CO 0.04 0.50 0.23 0.03 -0.25 0.00 0.00 175.52 176.07 2dsy h ARG 9 N 0.00 0.84 -0.07 4.72 3.08 -0.90 -0.32 114.38 121.73 2dsy h ARG 9 Ca -0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2dsy h ARG 9 Cb 1.05 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2dsy h ARG 9 CO 0.07 0.72 0.03 -0.92 -1.07 0.00 0.00 179.97 178.80 2dsy h TYR 10 N 0.77 0.11 -0.54 3.04 3.20 -1.31 -1.53 116.97 120.69 2dsy h TYR 10 Ca 0.19 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.12 2dsy h TYR 10 Cb 0.19 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2dsy h TYR 10 CO 0.01 0.22 0.24 -0.07 -1.64 0.00 0.00 178.16 176.91 2dsy h LEU 11 N -0.03 0.29 -0.57 2.82 3.38 -1.20 -0.19 115.31 119.81 2dsy h LEU 11 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dsy h LEU 11 Cb 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2dsy h LEU 11 CO -0.00 0.20 0.37 -0.08 0.09 0.00 0.00 178.44 179.01 2dsy h GLU 12 N 0.45 0.76 -0.46 1.13 4.81 -0.93 -2.97 114.58 117.37 2dsy h GLU 12 Ca 0.26 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2dsy h GLU 12 Cb 0.24 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2dsy h GLU 12 CO -0.22 0.52 0.01 1.49 -0.73 0.00 0.00 179.01 180.07 2dsy h GLU 13 N 0.77 0.80 -0.14 1.92 4.57 -0.84 0.29 114.58 121.96 2dsy h GLU 13 Ca 0.21 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2dsy h GLU 13 Cb -0.07 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2dsy h GLU 13 CO -0.04 0.86 0.00 0.00 -1.18 0.00 0.00 179.01 178.64 2dsy n ALA 14 N -2.42 0.86 0.00 2.92 0.00 -0.12 -2.09 120.51 119.65 2dsy n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dsy n ALA 14 Cb 0.30 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2dsy n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dsy n ALA 16 N 0.45 0.00 1.44 0.00 0.00 0.09 -2.78 120.51 119.71 2dsy n ALA 16 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2dsy n ALA 16 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 2dsy n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dsy n ARG 17 N 0.00 1.73 -2.21 0.00 1.74 -0.89 -4.93 116.66 112.10 2dsy n ARG 17 Ca 0.00 -1.07 -0.39 0.00 -0.77 0.00 0.00 57.85 55.62 2dsy n ARG 17 Cb 0.00 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2dsy n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dsy s ALA 18 N -1.99 3.28 -0.03 7.54 0.00 -1.12 -4.45 121.76 125.00 2dsy s ALA 18 Ca 0.37 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.47 2dsy s ALA 18 Cb 0.21 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2dsy s ALA 18 CO 0.33 -0.59 -0.17 1.03 0.00 0.00 0.00 175.76 176.36 2dsy s ARG 19 N -2.08 1.62 0.18 0.00 1.81 0.19 -4.97 118.95 115.71 2dsy s ARG 19 Ca 0.54 -0.61 0.10 0.00 -1.72 0.00 0.00 55.73 54.04 2dsy s ARG 19 Cb -0.35 -1.47 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 2dsy s ARG 19 CO 0.45 0.30 -0.19 0.71 -0.68 0.00 0.00 175.30 175.88 2dsy s TYR 20 N -0.15 2.43 -0.04 -0.53 2.02 -1.26 -1.55 117.35 118.26 2dsy s TYR 20 Ca 0.01 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2dsy s TYR 20 Cb -0.09 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 2dsy s TYR 20 CO 0.01 0.49 0.11 -1.21 -1.57 0.00 0.00 175.55 173.37 2dsy s GLU 21 N -2.64 0.12 -0.21 -0.62 0.41 -0.08 -4.99 118.70 110.69 2dsy s GLU 21 Ca 0.21 0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 54.67 2dsy s GLU 21 Cb -0.09 0.04 -0.00 0.00 -1.78 0.00 0.00 34.13 32.31 2dsy s GLU 21 CO 0.11 -0.03 0.92 -0.51 -0.49 0.00 0.00 175.26 175.27 2dsy s LEU 22 N 0.14 4.12 0.30 1.80 1.43 -1.26 -0.96 118.68 124.24 2dsy s LEU 22 Ca -0.01 1.23 0.10 0.00 -1.03 0.00 0.00 54.13 54.43 2dsy s LEU 22 Cb -0.02 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 2dsy s LEU 22 CO -0.00 -0.55 -0.15 0.27 0.23 0.00 0.00 176.35 176.15 2dsy s ILE 23 N 2.77 2.28 -0.67 -0.59 -4.36 0.84 -4.99 121.20 116.49 2dsy s ILE 23 Ca 0.40 -2.30 -0.13 0.00 -0.26 0.00 0.00 60.65 58.36 2dsy s ILE 23 Cb -0.16 -2.41 0.17 0.00 1.25 0.00 0.00 42.46 41.31 2dsy s ILE 23 CO 0.09 -0.34 0.60 0.00 0.24 0.00 0.00 174.94 175.53 2dsy s ALA 24 N -2.62 3.82 0.13 2.27 0.00 -1.26 -4.43 121.76 119.67 2dsy s ALA 24 Ca 0.30 -2.96 -0.25 0.00 0.00 0.00 0.00 51.96 49.05 2dsy s ALA 24 Cb -0.01 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.89 2dsy s ALA 24 CO 0.15 -2.13 0.85 0.34 0.00 0.00 0.00 175.76 174.97 2dsy s ASP 25 N 2.58 -0.29 0.29 0.00 2.15 -1.26 -5.03 116.67 115.11 2dsy s ASP 25 Ca 0.11 -0.27 0.04 0.00 0.43 0.00 0.00 52.55 52.86 2dsy s ASP 25 Cb -0.20 0.51 0.72 0.00 -0.30 0.00 0.00 42.92 43.65 2dsy s ASP 25 CO -0.03 -0.91 1.72 1.05 -0.17 0.00 0.00 175.17 176.83 2dsy h GLU 26 N 2.00 0.50 -3.52 4.34 4.11 -1.98 -3.08 114.58 116.94 2dsy h GLU 26 Ca -0.24 -0.03 -0.69 0.00 0.07 0.00 0.00 59.36 58.47 2dsy h GLU 26 Cb 1.25 -0.11 -0.36 0.00 0.50 0.00 0.00 28.75 30.03 2dsy h GLU 26 CO 0.28 0.33 -0.35 -1.21 0.07 0.00 0.00 179.01 178.13 2dsy s GLU 27 N -5.88 2.62 0.00 1.06 2.02 -1.26 -4.82 118.70 112.44 2dsy s GLU 27 Ca -0.11 -2.64 0.18 0.00 0.02 0.00 0.00 54.97 52.42 2dsy s GLU 27 Cb 0.25 -3.73 0.90 0.00 0.10 0.00 0.00 34.13 31.64 2dsy s GLU 27 CO 0.78 -1.18 1.55 -0.35 0.02 0.00 0.00 175.26 176.08 2dsy n PRO 28 N 3.30 0.22 -3.81 0.39 -0.04 -1.17 -4.44 135.00 129.45 2dsy n PRO 28 Ca 0.09 0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 2dsy n PRO 28 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 2dsy n PRO 28 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dsy s TYR 29 N -2.63 3.19 -0.07 0.54 2.02 -0.95 -0.11 117.35 119.34 2dsy s TYR 29 Ca 0.16 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 2dsy s TYR 29 Cb 0.12 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2dsy s TYR 29 CO 0.28 -0.10 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.59 2dsy s TYR 30 N 1.16 2.84 0.04 2.71 5.04 -0.13 -0.75 117.35 128.24 2dsy s TYR 30 Ca 0.05 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.61 2dsy s TYR 30 Cb -0.14 -1.69 -0.02 0.00 0.35 0.00 0.00 41.96 40.45 2dsy s TYR 30 CO 0.04 0.23 -0.09 0.20 -1.34 0.00 0.00 175.55 174.59 2dsy s GLY 31 N -0.68 0.58 0.08 8.97 0.00 0.55 -0.90 107.32 115.92 2dsy s GLY 31 Ca 0.10 -0.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.91 2dsy s GLY 31 CO 0.01 -0.78 0.38 -1.83 0.00 0.00 0.00 173.10 170.88 2dsy s GLU 32 N -1.39 0.96 -0.41 2.90 -1.05 -0.60 -1.00 118.70 118.11 2dsy s GLU 32 Ca -0.06 -0.56 -0.08 0.00 -0.15 0.00 0.00 54.97 54.12 2dsy s GLU 32 Cb -0.09 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.10 2dsy s GLU 32 CO 0.01 -0.35 0.25 0.42 0.95 0.00 0.00 175.26 176.54 2dsy s ILE 33 N -3.11 4.12 0.49 1.83 1.01 -0.79 -0.63 121.20 124.12 2dsy s ILE 33 Ca -0.01 -1.45 0.16 0.00 0.00 0.00 0.00 60.65 59.35 2dsy s ILE 33 Cb 0.01 -3.54 0.31 0.00 0.01 0.00 0.00 42.46 39.24 2dsy s ILE 33 CO -0.07 -0.51 2.07 -0.65 0.00 0.00 0.00 174.94 175.78 2dsy h PRO 34 N 8.37 0.15 0.00 2.79 0.11 -1.88 -1.72 132.00 139.82 2dsy h PRO 34 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2dsy h PRO 34 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2dsy h PRO 34 CO 0.75 0.10 0.00 -0.44 -0.21 0.00 0.00 178.00 178.20 2dsy h ASP 35 N 0.15 0.00 -4.00 -2.05 3.45 -1.93 -3.38 116.42 108.66 2dsy h ASP 35 Ca 0.13 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.96 2dsy h ASP 35 Cb 0.31 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.68 2dsy h ASP 35 CO -0.02 0.00 -0.68 -0.76 -1.57 0.00 0.00 179.24 176.22 2dsy s LEU 36 N -5.64 3.71 -0.16 1.55 1.43 -0.65 -4.91 118.68 114.01 2dsy s LEU 36 Ca 0.00 -2.80 -0.36 0.00 -1.03 0.00 0.00 54.13 49.94 2dsy s LEU 36 Cb 0.10 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.78 2dsy s LEU 36 CO 0.44 -0.26 1.83 -0.81 0.23 0.00 0.00 176.35 177.79 2dsy n PRO 37 N 3.37 1.78 -0.01 1.29 -0.04 -1.26 -1.26 135.00 138.86 2dsy n PRO 37 Ca 0.06 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2dsy n PRO 37 Cb 0.34 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2dsy n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dsy n GLY 38 N 4.34 0.26 3.43 0.55 0.00 -1.26 -5.02 105.19 107.48 2dsy n GLY 38 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 2dsy n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dsy s VAL 39 N -2.07 4.53 0.22 1.61 1.01 -0.39 -5.00 120.40 120.31 2dsy s VAL 39 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2dsy s VAL 39 Cb 0.00 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 2dsy s VAL 39 CO 0.00 -1.37 0.41 -1.66 0.00 0.00 0.00 175.10 172.48 2dsy s TRP 40 N 3.45 0.41 0.20 5.22 1.48 -1.26 -1.88 118.94 126.57 2dsy s TRP 40 Ca 0.21 -0.76 -0.23 0.00 -1.06 0.00 0.00 56.10 54.25 2dsy s TRP 40 Cb -0.17 0.08 0.05 0.00 -1.16 0.00 0.00 33.47 32.26 2dsy s TRP 40 CO 0.06 -0.90 0.80 0.00 -4.06 0.00 0.00 176.95 172.86 2dsy s ALA 41 N -4.01 -1.45 0.15 2.67 0.00 -0.17 -4.85 121.76 114.10 2dsy s ALA 41 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2dsy s ALA 41 Cb 0.01 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 2dsy s ALA 41 CO 0.07 -0.99 -0.03 0.95 0.00 0.00 0.00 175.76 175.75 2dsy s THR 42 N -3.62 0.79 0.30 0.00 -4.23 -1.26 -0.33 115.64 107.28 2dsy s THR 42 Ca 0.10 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.43 2dsy s THR 42 Cb -0.03 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.86 2dsy s THR 42 CO 0.02 -0.61 0.73 -0.83 -0.54 0.00 0.00 174.62 173.38 2dsy s GLY 43 N -3.15 0.03 0.28 3.99 0.00 0.07 -4.51 107.32 104.03 2dsy s GLY 43 Ca 0.20 -0.42 0.24 0.00 0.00 0.00 0.00 44.72 44.73 2dsy s GLY 43 CO 0.01 -0.15 1.44 0.50 0.00 0.00 0.00 173.10 174.90 2dsy h LYS 44 N 2.01 0.00 -4.65 2.90 1.57 -1.87 -2.51 116.57 114.02 2dsy h LYS 44 Ca -0.22 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.33 2dsy h LYS 44 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 2dsy h LYS 44 CO 0.27 0.00 -0.70 -1.54 -0.57 0.00 0.00 179.45 176.91 2dsy s SER 45 N -5.35 1.12 0.23 0.86 1.04 -1.26 -4.72 113.70 105.62 2dsy s SER 45 Ca 0.06 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.44 2dsy s SER 45 Cb 0.09 0.09 0.29 0.00 0.10 0.00 0.00 66.02 66.59 2dsy s SER 45 CO 0.70 -0.45 1.86 0.25 0.98 0.00 0.00 173.24 176.58 2dsy h LEU 46 N 3.07 0.83 -0.50 2.42 5.85 -1.96 -0.47 115.31 124.55 2dsy h LEU 46 Ca -0.35 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 2dsy h LEU 46 Cb 1.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2dsy h LEU 46 CO 0.63 0.55 0.14 0.50 -0.34 0.00 0.00 178.44 179.92 2dsy h LYS 47 N 0.97 0.79 -0.40 1.25 3.64 -1.99 -1.12 116.57 119.72 2dsy h LYS 47 Ca 0.35 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2dsy h LYS 47 Cb 0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2dsy h LYS 47 CO -0.15 0.75 0.01 1.49 -2.27 0.00 0.00 179.45 179.28 2dsy h GLU 48 N 0.69 0.71 -0.35 1.90 4.81 -1.91 -1.43 114.58 118.98 2dsy h GLU 48 Ca 0.16 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2dsy h GLU 48 Cb 0.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2dsy h GLU 48 CO -0.00 0.79 0.10 0.00 -0.73 0.00 0.00 179.01 179.17 2dsy h GLU 50 N 0.23 0.32 -0.54 0.00 4.81 -0.99 0.22 114.58 118.63 2dsy h GLU 50 Ca 0.16 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2dsy h GLU 50 Cb 0.16 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2dsy h GLU 50 CO -0.19 0.21 0.33 0.00 -0.73 0.00 0.00 179.01 178.63 2dsy h ALA 51 N 1.27 0.70 -0.20 2.92 0.00 -0.83 -0.22 119.26 122.90 2dsy h ALA 51 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2dsy h ALA 51 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dsy h ALA 51 CO -0.20 0.05 -0.30 -0.91 0.00 0.00 0.00 179.25 177.89 2dsy h ASN 52 N 0.65 0.40 -0.38 0.00 2.35 -0.55 -2.18 115.58 115.86 2dsy h ASN 52 Ca 0.22 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 2dsy h ASN 52 Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2dsy h ASN 52 CO -0.09 0.69 -0.18 0.25 -1.65 0.00 0.00 177.43 176.44 2dsy h LEU 53 N 0.34 0.83 -0.51 1.61 5.85 -0.04 -1.82 115.31 121.57 2dsy h LEU 53 Ca 0.05 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 2dsy h LEU 53 Cb 0.70 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2dsy h LEU 53 CO 0.05 1.05 0.07 -0.61 -0.34 0.00 0.00 178.44 178.66 2dsy h GLN 54 N 0.61 0.85 -0.66 1.25 4.15 -0.93 -0.46 115.11 119.92 2dsy h GLN 54 Ca 0.09 -0.23 0.13 0.00 0.77 0.00 0.00 58.65 59.40 2dsy h GLN 54 Cb 0.74 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.24 2dsy h GLN 54 CO 0.06 0.85 0.17 0.00 -1.93 0.00 0.00 178.83 177.97 2dsy h ALA 55 N 0.97 0.82 -0.32 3.38 0.00 -1.31 -0.30 119.26 122.50 2dsy h ALA 55 Ca 0.15 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2dsy h ALA 55 Cb 0.42 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2dsy h ALA 55 CO 0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 179.25 178.72 2dsy h ALA 56 N 1.52 0.46 -0.36 0.00 0.00 -1.05 -2.28 119.26 117.55 2dsy h ALA 56 Ca 0.35 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2dsy h ALA 56 Cb 0.54 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2dsy h ALA 56 CO -0.43 0.44 0.07 1.25 0.00 0.00 0.00 179.25 180.58 2dsy h LEU 57 N 0.49 -0.00 -0.60 0.00 5.85 -0.55 -1.07 115.31 119.43 2dsy h LEU 57 Ca 0.06 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2dsy h LEU 57 Cb 0.80 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2dsy h LEU 57 CO 0.06 0.03 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.79 2dsy h GLU 58 N 0.19 1.03 -0.55 1.25 5.08 -0.95 0.10 114.58 120.73 2dsy h GLU 58 Ca 0.17 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2dsy h GLU 58 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2dsy h GLU 58 CO -0.23 1.05 0.00 -0.44 -1.00 0.00 0.00 179.01 178.39 2dsy h ASP 59 N 0.92 0.91 -0.25 1.42 3.32 -1.15 -0.08 116.42 121.51 2dsy h ASP 59 Ca 0.15 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2dsy h ASP 59 Cb 0.64 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2dsy h ASP 59 CO 0.04 0.97 -0.03 -0.25 -1.72 0.00 0.00 179.24 178.25 2dsy h TRP 60 N 0.87 0.52 -0.34 4.55 7.01 -0.97 -1.83 115.95 125.76 2dsy h TRP 60 Ca 0.16 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 2dsy h TRP 60 Cb 0.51 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2dsy h TRP 60 CO 0.03 0.66 0.09 1.25 -2.79 0.00 0.00 178.44 177.68 2dsy h LEU 61 N 0.23 0.51 -0.69 0.65 5.85 -0.64 -2.55 115.31 118.67 2dsy h LEU 61 Ca 0.07 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.72 2dsy h LEU 61 Cb 0.47 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 2dsy h LEU 61 CO 0.02 0.60 -0.02 0.25 -0.34 0.00 0.00 178.44 178.94 2dsy h LEU 62 N 0.40 -0.37 0.09 2.25 5.85 -0.99 -0.93 115.31 121.61 2dsy h LEU 62 Ca 0.11 0.18 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2dsy h LEU 62 Cb 0.28 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2dsy h LEU 62 CO -0.00 -0.16 -0.38 0.15 -0.34 0.00 0.00 178.44 177.71 2dsy h PHE 63 N 0.09 -1.05 0.13 1.25 3.57 -0.97 0.01 116.94 119.97 2dsy h PHE 63 Ca 0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2dsy h PHE 63 Cb 0.62 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2dsy h PHE 63 CO -0.42 -0.48 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.01 2dsy h LEU 64 N -0.59 -0.27 -0.81 0.59 4.07 -1.13 -2.71 115.31 114.45 2dsy h LEU 64 Ca 0.03 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.04 2dsy h LEU 64 Cb 0.63 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.42 2dsy h LEU 64 CO -0.24 -0.17 0.53 -0.07 -1.08 0.00 0.00 178.44 177.41 2dsy h LEU 65 N -0.25 0.88 -1.81 1.67 3.38 -1.08 -1.18 115.31 116.92 2dsy h LEU 65 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dsy h LEU 65 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dsy h LEU 65 CO -0.01 0.62 -0.13 0.77 0.09 0.00 0.00 178.44 179.78 2dsy h SER 66 N 1.04 0.00 -0.11 -0.43 4.64 -0.82 0.15 113.55 118.02 2dsy h SER 66 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2dsy h SER 66 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2dsy h SER 66 CO -0.10 0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 2dsy n ARG 67 N -3.55 1.64 -1.92 4.77 1.74 -0.84 -4.94 116.66 113.56 2dsy n ARG 67 Ca -0.01 -0.96 -0.06 0.00 -0.77 0.00 0.00 57.85 56.05 2dsy n ARG 67 Cb 0.26 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 2dsy n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dsy n GLY 68 N 1.12 0.27 3.70 -0.13 0.00 0.54 -5.04 105.19 105.64 2dsy n GLY 68 Ca 0.17 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2dsy n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dsy s GLU 69 N -3.93 2.57 -0.04 1.61 0.41 -0.51 -5.01 118.70 113.81 2dsy s GLU 69 Ca 0.00 -0.87 -0.08 0.00 -0.41 0.00 0.00 54.97 53.61 2dsy s GLU 69 Cb 0.00 -2.53 -0.05 0.00 -1.78 0.00 0.00 34.13 29.77 2dsy s GLU 69 CO 0.00 0.53 0.24 0.95 -0.49 0.00 0.00 175.26 176.49 2dsy s THR 70 N -1.40 5.33 0.72 3.63 -4.23 -1.26 -3.77 115.64 114.67 2dsy s THR 70 Ca 0.27 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 2dsy s THR 70 Cb -0.11 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.22 2dsy s THR 70 CO 0.19 0.48 1.08 -2.16 -0.54 0.00 0.00 174.62 173.67 2dsy s PRO 71 N -1.43 2.74 0.36 3.99 0.04 -1.26 -4.99 135.00 134.45 2dsy s PRO 71 Ca 0.23 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 2dsy s PRO 71 Cb -0.13 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2dsy s PRO 71 CO 0.12 -1.15 1.24 -2.30 0.04 0.00 0.00 177.00 174.95 2dsy n PRO 72 N -3.11 1.95 -2.13 0.56 -0.02 -1.26 -4.70 135.00 126.29 2dsy n PRO 72 Ca 0.07 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 2dsy n PRO 72 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2dsy n PRO 72 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dsy s PRO 73 N -1.93 3.69 -0.66 0.52 0.04 -1.26 -4.88 135.00 130.52 2dsy s PRO 73 Ca 0.57 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.55 2dsy s PRO 73 Cb -0.57 -2.45 0.17 0.00 0.04 0.00 0.00 34.50 31.68 2dsy s PRO 73 CO 0.61 -0.65 0.46 -0.51 0.04 0.00 0.00 177.00 176.94 2dsy s LEU 74 N -2.99 5.04 0.00 -3.56 1.43 0.85 -4.98 118.68 114.47 2dsy s LEU 74 Ca 0.64 -3.15 0.00 0.00 -1.03 0.00 0.00 54.13 50.59 2dsy s LEU 74 Cb -0.33 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2dsy s LEU 74 CO 0.40 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2dsy n GLY 75 N 3.04 2.46 0.52 -3.19 0.00 -1.26 -1.60 105.19 105.16 2dsy n GLY 75 Ca 0.11 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.92 2dsy n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dsy n GLU 76 N 13.27 1.68 -3.06 1.61 0.28 -1.26 -4.85 120.64 128.31 2dsy n GLU 76 Ca 0.00 -1.03 -0.42 0.00 -0.16 0.00 0.00 57.16 55.56 2dsy n GLU 76 Cb 0.00 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.42 2dsy n GLU 76 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2dsy s VAL 77 N -1.80 4.86 0.11 3.84 1.01 -0.63 -5.03 120.40 122.75 2dsy s VAL 77 Ca 0.32 0.81 0.03 0.00 0.00 0.00 0.00 61.98 63.14 2dsy s VAL 77 Cb 0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2dsy s VAL 77 CO 0.26 -0.28 -0.09 -0.13 0.00 0.00 0.00 175.10 174.86 2dsy s ARG 78 N 2.79 0.88 -0.23 2.72 0.52 -1.26 -0.11 118.95 124.27 2dsy s ARG 78 Ca 0.27 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.17 2dsy s ARG 78 Cb -0.14 -0.41 0.01 0.00 0.52 0.00 0.00 34.95 34.93 2dsy s ARG 78 CO 0.14 0.04 -0.07 0.42 0.02 0.00 0.00 175.30 175.84 2dsy s ILE 79 N -3.10 2.92 -0.11 1.52 1.01 -1.26 -4.89 121.20 117.30 2dsy s ILE 79 Ca 0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2dsy s ILE 79 Cb 0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2dsy s ILE 79 CO -0.02 0.32 0.06 -1.61 0.00 0.00 0.00 174.94 173.69 2dsy s GLU 80 N 1.37 3.25 -0.15 2.79 0.41 -1.26 -4.60 118.70 120.51 2dsy s GLU 80 Ca 0.03 -0.29 -0.22 0.00 -0.41 0.00 0.00 54.97 54.08 2dsy s GLU 80 Cb -0.15 -2.99 -0.03 0.00 -1.78 0.00 0.00 34.13 29.18 2dsy s GLU 80 CO -0.05 0.70 0.68 -0.51 -0.49 0.00 0.00 175.26 175.58 2dsy s LEU 81 N -0.84 4.21 0.32 1.80 1.43 -1.26 -5.02 118.68 119.32 2dsy s LEU 81 Ca 0.13 0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 2dsy s LEU 81 Cb -0.12 -2.99 -0.11 0.00 0.03 0.00 0.00 46.19 43.00 2dsy s LEU 81 CO 0.03 -0.23 1.51 -2.84 0.23 0.00 0.00 176.35 175.05 2dsy s PRO 82 N 1.55 4.15 0.00 1.29 0.02 -1.26 -5.21 135.00 135.55 2dsy s PRO 82 Ca 0.33 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2dsy s PRO 82 Cb -0.16 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2dsy s PRO 82 CO 0.13 -0.54 0.00 0.72 -0.33 0.00 0.00 177.00 176.98