#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug h SER 2 N 0.00 -1.75 -4.43 1.61 4.64 -2.15 -3.41 113.55 108.06 2cug h SER 2 Ca 0.00 0.32 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 2cug h SER 2 Cb 0.00 0.84 -0.23 0.00 -0.31 0.00 0.00 62.40 62.70 2cug h SER 2 CO 0.00 -0.26 -0.54 -0.94 -0.87 0.00 0.00 176.83 174.21 2cug s SER 3 N -5.42 -0.03 -0.19 4.97 1.04 -1.26 -5.16 113.70 107.66 2cug s SER 3 Ca -0.13 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.07 2cug s SER 3 Cb 0.16 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.57 2cug s SER 3 CO 0.67 -0.22 0.57 -0.83 0.98 0.00 0.00 173.24 174.42 2cug s GLY 4 N -0.73 -0.43 -0.21 7.32 0.00 -1.26 -5.16 107.32 106.85 2cug s GLY 4 Ca -0.08 1.51 -0.11 0.00 0.00 0.00 0.00 44.72 46.04 2cug s GLY 4 CO 0.01 1.27 0.51 -0.45 0.00 0.00 0.00 173.10 174.44 2cug s SER 5 N 0.03 -0.64 0.12 1.64 0.15 -1.26 -5.17 113.70 108.57 2cug s SER 5 Ca -0.02 1.13 0.08 0.00 0.70 0.00 0.00 55.95 57.84 2cug s SER 5 Cb -0.04 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 2cug s SER 5 CO 0.02 -0.21 -0.12 -0.55 1.20 0.00 0.00 173.24 173.58 2cug s SER 6 N 1.74 4.24 0.00 5.45 0.15 -1.26 -5.10 113.70 118.92 2cug s SER 6 Ca -0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2cug s SER 6 Cb -0.08 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2cug s SER 6 CO -0.15 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2cug n GLY 7 N 0.63 2.65 3.40 9.45 0.00 -1.26 -5.08 105.19 114.99 2cug n GLY 7 Ca -0.14 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 2cug n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cug s ILE 8 N -2.00 5.14 0.15 -0.61 1.09 -1.26 -4.94 121.20 118.77 2cug s ILE 8 Ca 0.00 -0.91 -0.14 0.00 -1.10 0.00 0.00 60.65 58.49 2cug s ILE 8 Cb 0.00 -4.17 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 2cug s ILE 8 CO 0.00 -0.64 1.72 -0.07 -0.10 0.00 0.00 174.94 175.85 2cug h LEU 9 N 9.01 0.65-10.40 2.97 3.38 -2.03 -3.44 115.31 115.46 2cug h LEU 9 Ca -0.28 -0.15 -0.49 0.00 0.09 0.00 0.00 57.88 57.05 2cug h LEU 9 Cb 1.11 -0.17 0.11 0.00 0.09 0.00 0.00 40.66 41.80 2cug h LEU 9 CO 0.90 0.63 0.33 -1.10 0.09 0.00 0.00 178.44 179.29 2cug s GLN 10 N -5.62 2.07 -0.03 1.13 1.11 -1.26 -5.08 119.66 111.98 2cug s GLN 10 Ca -0.13 0.68 -0.08 0.00 0.01 0.00 0.00 55.36 55.84 2cug s GLN 10 Cb 0.11 -1.91 0.01 0.00 -1.01 0.00 0.00 33.01 30.21 2cug s GLN 10 CO 0.77 -1.64 0.19 -1.12 0.01 0.00 0.00 175.29 173.49 2cug s SER 11 N -3.85 -0.10 0.15 5.90 0.01 -1.26 -4.94 113.70 109.61 2cug s SER 11 Ca 0.61 0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.69 2cug s SER 11 Cb -0.15 0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.40 2cug s SER 11 CO 0.54 -0.26 1.59 -0.07 0.41 0.00 0.00 173.24 175.46 2cug h LEU 12 N 4.84 -1.15 -8.24 2.44 -0.00 -1.89 -3.45 115.31 107.85 2cug h LEU 12 Ca -0.29 0.18 -0.07 0.00 -0.00 0.00 0.00 57.88 57.71 2cug h LEU 12 Cb 1.19 0.51 -0.08 0.00 -0.00 0.00 0.00 40.66 42.28 2cug h LEU 12 CO 0.39 -0.35 -0.08 -0.94 -0.00 0.00 0.00 178.44 177.46 2cug s SER 13 N -5.01 -0.01 0.30 -0.43 1.04 -1.26 -5.18 113.70 103.15 2cug s SER 13 Ca -0.15 -0.97 -0.20 0.00 0.48 0.00 0.00 55.95 55.12 2cug s SER 13 Cb 0.12 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.90 2cug s SER 13 CO 0.66 -1.20 0.81 0.00 0.98 0.00 0.00 173.24 174.50 2cug s ALA 14 N -3.84 -1.12 0.60 5.32 0.00 -1.26 -4.58 121.76 116.86 2cug s ALA 14 Ca 0.22 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2cug s ALA 14 Cb -0.01 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.94 2cug s ALA 14 CO 0.10 -1.02 0.82 -0.48 0.00 0.00 0.00 175.76 175.18 2cug s LEU 15 N -3.03 3.11 0.09 0.00 2.34 -1.26 -5.03 118.68 114.90 2cug s LEU 15 Ca 0.14 -0.73 -0.27 0.00 0.06 0.00 0.00 54.13 53.33 2cug s LEU 15 Cb -0.05 -1.75 -0.11 0.00 -0.56 0.00 0.00 46.19 43.72 2cug s LEU 15 CO 0.08 -1.42 1.44 -0.78 -1.06 0.00 0.00 176.35 174.62 2cug h ASP 16 N 0.06 -1.35 -4.27 1.48 1.82 -2.09 -3.43 116.42 108.64 2cug h ASP 16 Ca -0.32 0.15 -0.19 0.00 -0.39 0.00 0.00 57.03 56.29 2cug h ASP 16 Cb 1.28 0.52 -0.25 0.00 0.68 0.00 0.00 39.33 41.56 2cug h ASP 16 CO 0.41 -0.41 -0.64 0.72 -1.61 0.00 0.00 179.24 177.71 2cug s PHE 17 N -5.18 0.04 0.05 0.28 -0.12 -1.26 -5.15 117.98 106.64 2cug s PHE 17 Ca -0.13 -0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.54 2cug s PHE 17 Cb 0.05 -0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 2cug s PHE 17 CO 0.49 -0.11 0.44 -0.51 -0.05 0.00 0.00 175.22 175.47 2cug s ASP 18 N -0.59 6.79 0.10 1.98 1.01 -1.26 -5.01 116.67 119.69 2cug s ASP 18 Ca -0.07 0.96 -0.15 0.00 0.71 0.00 0.00 52.55 54.00 2cug s ASP 18 Cb -0.04 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.56 2cug s ASP 18 CO 0.00 0.25 1.42 1.55 0.21 0.00 0.00 175.17 178.60 2cug h PRO 19 N 4.26 0.69 -0.82 8.23 0.13 -1.97 -1.74 132.00 140.78 2cug h PRO 19 Ca -0.50 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.22 2cug h PRO 19 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2cug h PRO 19 CO 0.63 0.97 0.36 1.88 -0.23 0.00 0.00 178.00 181.62 2cug h TYR 20 N 0.43 1.22 -0.14 1.56 -1.99 -1.91 -0.03 116.97 116.12 2cug h TYR 20 Ca 0.05 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 2cug h TYR 20 Cb 0.84 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 2cug h TYR 20 CO 0.07 0.91 -0.14 0.00 -0.00 0.00 0.00 178.16 178.99 2cug h ARG 21 N 1.19 0.35 0.68 4.88 3.08 -1.79 0.15 114.38 122.91 2cug h ARG 21 Ca 0.28 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2cug h ARG 21 Cb 0.17 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2cug h ARG 21 CO -0.03 0.74 -0.33 0.28 -1.07 0.00 0.00 179.97 179.56 2cug h VAL 22 N -0.03 0.30 -0.75 2.04 2.07 -1.17 -3.05 116.25 115.66 2cug h VAL 22 Ca 0.02 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2cug h VAL 22 Cb 0.68 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2cug h VAL 22 CO 0.04 0.01 0.34 -0.07 0.02 0.00 0.00 177.57 177.91 2cug h LEU 23 N -0.97 0.99 -0.36 2.57 3.38 -1.09 -3.48 115.31 116.35 2cug h LEU 23 Ca -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2cug h LEU 23 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cug h LEU 23 CO 0.15 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2cug n GLY 24 N -1.03 0.78 3.32 0.83 0.00 0.31 -4.86 105.19 104.55 2cug n GLY 24 Ca 0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2cug n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cug s VAL 25 N -1.94 1.61 0.48 1.61 -7.23 -0.06 -5.03 120.40 109.84 2cug s VAL 25 Ca 0.00 -2.17 0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2cug s VAL 25 Cb 0.00 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2cug s VAL 25 CO 0.00 -0.62 0.17 -0.44 -0.31 0.00 0.00 175.10 173.89 2cug s SER 26 N -3.26 4.33 0.21 4.85 0.01 -1.26 -4.54 113.70 114.04 2cug s SER 26 Ca 0.21 -1.33 -0.17 0.00 1.31 0.00 0.00 55.95 55.97 2cug s SER 26 Cb -0.00 0.07 0.22 0.00 0.21 0.00 0.00 66.02 66.52 2cug s SER 26 CO 0.05 -0.78 1.59 0.08 0.41 0.00 0.00 173.24 174.59 2cug h ARG 27 N 1.26 -0.07 -1.24 12.44 0.11 -2.02 0.57 114.38 125.43 2cug h ARG 27 Ca -0.42 0.01 0.36 0.00 0.10 0.00 0.00 59.98 60.03 2cug h ARG 27 Cb 1.28 0.02 -0.10 0.00 1.11 0.00 0.00 29.97 32.28 2cug h ARG 27 CO 0.69 -0.05 0.83 1.79 0.10 0.00 0.00 179.97 183.33 2cug h THR 28 N -0.08 0.32 -2.71 0.08 1.35 -2.06 -3.39 112.91 106.43 2cug h THR 28 Ca 0.30 -0.06 -0.54 0.00 -0.55 0.00 0.00 66.41 65.57 2cug h THR 28 Cb 0.57 0.13 0.01 0.00 -1.73 0.00 0.00 68.15 67.12 2cug h THR 28 CO -0.78 0.03 0.99 0.00 -0.25 0.00 0.00 175.52 175.51 2cug s ALA 29 N -5.27 3.66 0.48 6.62 0.00 0.20 -5.01 121.76 122.44 2cug s ALA 29 Ca -0.07 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2cug s ALA 29 Cb 0.27 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2cug s ALA 29 CO 0.82 -1.12 0.46 -1.54 0.00 0.00 0.00 175.76 174.37 2cug s SER 30 N 2.49 4.94 0.32 0.00 1.04 -1.26 -4.83 113.70 116.39 2cug s SER 30 Ca 0.72 -0.92 0.11 0.00 0.48 0.00 0.00 55.95 56.35 2cug s SER 30 Cb -0.37 -0.11 1.00 0.00 0.10 0.00 0.00 66.02 66.64 2cug s SER 30 CO 0.31 -0.92 1.45 1.67 0.98 0.00 0.00 173.24 176.73 2cug n GLN 31 N -1.74 -0.06 0.45 4.02 -0.06 -1.26 -0.44 117.38 118.29 2cug n GLN 31 Ca 0.04 1.32 -0.18 0.00 -2.00 0.00 0.00 57.00 56.18 2cug n GLN 31 Cb 0.62 -2.24 -0.08 0.00 -4.06 0.00 0.00 30.24 24.48 2cug n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2cug h ALA 32 N 1.84 -1.30 -0.59 1.69 0.00 -2.00 -2.23 119.26 116.68 2cug h ALA 32 Ca 0.68 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.45 2cug h ALA 32 Cb 1.66 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.81 2cug h ALA 32 CO -0.78 -1.22 0.13 -0.44 0.00 0.00 0.00 179.25 176.94 2cug h ASP 33 N -1.16 0.02 -0.31 0.00 5.19 -1.11 -1.86 116.42 117.19 2cug h ASP 33 Ca -0.12 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.47 2cug h ASP 33 Cb 0.88 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.45 2cug h ASP 33 CO 0.19 0.02 -0.32 0.40 -3.12 0.00 0.00 179.24 176.41 2cug h ILE 34 N 0.26 0.25 -0.59 0.35 2.04 -0.80 0.30 117.51 119.32 2cug h ILE 34 Ca 0.31 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.23 2cug h ILE 34 Cb 0.45 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2cug h ILE 34 CO -0.39 0.00 0.30 0.50 0.00 0.00 0.00 178.15 178.56 2cug h LYS 35 N -0.30 0.54 -0.58 2.37 3.64 -0.75 0.89 116.57 122.38 2cug h LYS 35 Ca 0.15 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2cug h LYS 35 Cb 0.54 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2cug h LYS 35 CO -0.47 0.36 0.26 0.87 -2.27 0.00 0.00 179.45 178.19 2cug h LYS 36 N 0.55 0.83 -0.19 1.90 1.79 -0.46 -2.24 116.57 118.75 2cug h LYS 36 Ca 0.27 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.52 2cug h LYS 36 Cb 0.21 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2cug h LYS 36 CO -0.20 0.66 -0.28 0.00 -1.08 0.00 0.00 179.45 178.56 2cug h ALA 37 N 1.46 0.29 0.36 3.86 0.00 0.63 -3.23 119.26 122.63 2cug h ALA 37 Ca 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2cug h ALA 37 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cug h ALA 37 CO -0.02 0.30 -0.25 -0.92 0.00 0.00 0.00 179.25 178.35 2cug h TYR 38 N 0.19 -0.68 -0.53 0.00 3.20 -0.60 -2.80 116.97 115.76 2cug h TYR 38 Ca 0.02 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2cug h TYR 38 Cb 0.85 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 2cug h TYR 38 CO 0.09 -0.36 -0.31 1.63 -1.64 0.00 0.00 178.16 177.56 2cug n LYS 39 N -3.88 -0.23 -0.29 1.82 4.01 -0.87 0.57 118.16 119.29 2cug n LYS 39 Ca -0.07 0.99 -0.02 0.00 -0.51 0.00 0.00 58.31 58.70 2cug n LYS 39 Cb 0.25 -1.46 0.05 0.00 -0.51 0.00 0.00 35.03 33.35 2cug n LYS 39 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2cug h LYS 40 N 0.00 -0.06 -0.93 1.97 3.11 -1.56 0.62 116.57 119.71 2cug h LYS 40 Ca 0.08 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.98 2cug h LYS 40 Cb 0.22 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.40 2cug h LYS 40 CO -0.49 -0.04 0.61 -0.07 -2.81 0.00 0.00 179.45 176.64 2cug h LEU 41 N -0.06 0.97 -0.52 5.20 3.38 0.40 0.20 115.31 124.88 2cug h LEU 41 Ca 0.32 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 2cug h LEU 41 Cb 0.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2cug h LEU 41 CO -0.83 0.64 -0.17 0.00 0.09 0.00 0.00 178.44 178.17 2cug h ALA 42 N 1.48 0.72 -0.10 1.53 0.00 0.22 0.18 119.26 123.28 2cug h ALA 42 Ca 0.39 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2cug h ALA 42 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2cug h ALA 42 CO -0.14 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 2cug h ARG 43 N 0.89 0.26 0.04 0.00 -0.00 0.39 0.55 114.38 116.51 2cug h ARG 43 Ca 0.13 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 2cug h ARG 43 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.73 2cug h ARG 43 CO 0.06 0.69 -0.02 0.93 0.00 0.00 0.00 179.97 181.63 2cug h GLU 44 N -0.16 -0.05 -0.41 0.04 4.39 -0.65 -2.92 114.58 114.82 2cug h GLU 44 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2cug h GLU 44 Cb 0.65 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2cug h GLU 44 CO 0.03 0.29 0.00 0.91 -1.16 0.00 0.00 179.01 179.07 2cug n TRP 45 N -4.95 0.51 -1.47 4.33 7.02 0.63 -4.91 117.44 118.60 2cug n TRP 45 Ca -0.08 -0.23 -0.50 0.00 -1.02 0.00 0.00 57.50 55.67 2cug n TRP 45 Cb 0.19 -0.05 -0.07 0.00 -2.42 0.00 0.00 31.31 28.96 2cug n TRP 45 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 2cug n HIS 46 N 0.39 1.67 0.12 -5.99 -0.00 0.19 -4.68 115.22 106.93 2cug n HIS 46 Ca 0.11 0.23 -0.02 0.00 0.46 0.00 0.00 57.72 58.50 2cug n HIS 46 Cb 0.34 -2.56 0.22 0.00 -0.12 0.00 0.00 29.99 27.88 2cug n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2cug h PRO 47 N 12.46 0.15 -0.59 1.57 0.13 -1.84 -0.17 132.00 143.72 2cug h PRO 47 Ca -0.30 -0.08 0.16 0.00 -0.87 0.00 0.00 66.00 64.91 2cug h PRO 47 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2cug h PRO 47 CO 1.01 0.59 0.42 -0.44 -0.23 0.00 0.00 178.00 179.35 2cug h ASP 48 N 0.13 0.05 0.00 1.44 5.19 -1.94 -2.28 116.42 119.00 2cug h ASP 48 Ca 0.01 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.22 2cug h ASP 48 Cb 0.88 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.34 2cug h ASP 48 CO 0.07 0.03 -1.90 0.29 -3.12 0.00 0.00 179.24 174.60 2cug n LYS 49 N -4.38 1.44 -1.90 3.56 5.02 -1.13 -4.99 118.16 115.78 2cug n LYS 49 Ca 0.11 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 2cug n LYS 49 Cb 0.62 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 2cug n LYS 49 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2cug s ASN 50 N -4.52 6.47 -0.12 4.39 3.84 -0.09 -4.93 114.94 119.99 2cug s ASN 50 Ca -0.07 2.94 0.15 0.00 0.21 0.00 0.00 52.86 56.09 2cug s ASN 50 Cb 0.05 -2.66 -0.21 0.00 -0.55 0.00 0.00 41.25 37.88 2cug s ASN 50 CO 0.59 -0.77 0.14 0.29 -2.79 0.00 0.00 177.10 174.55 2cug n LYS 51 N 0.66 1.21 -1.96 0.43 4.76 -1.26 -4.87 118.16 117.13 2cug n LYS 51 Ca 0.01 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 2cug n LYS 51 Cb 0.40 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 2cug n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cug s ASP 52 N -4.64 6.59 -0.49 4.39 1.11 -1.26 -4.91 116.67 117.45 2cug s ASP 52 Ca -0.07 2.69 -0.27 0.00 0.18 0.00 0.00 52.55 55.08 2cug s ASP 52 Cb 0.06 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 2cug s ASP 52 CO 0.65 -0.77 1.79 -2.16 1.18 0.00 0.00 175.17 175.87 2cug s PRO 53 N 0.03 2.97 0.00 8.23 0.04 -1.26 -3.04 135.00 141.97 2cug s PRO 53 Ca 0.63 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2cug s PRO 53 Cb -0.43 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2cug s PRO 53 CO 0.41 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.54 2cug n GLY 54 N 5.54 2.01 0.28 0.56 0.00 -1.26 -4.99 105.19 107.32 2cug n GLY 54 Ca 0.21 -0.15 0.26 0.00 0.00 0.00 0.00 46.02 46.33 2cug n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cug n ALA 55 N 0.00 0.83 0.11 4.61 0.00 -1.17 -0.46 120.51 124.43 2cug n ALA 55 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 53.44 54.23 2cug n ALA 55 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2cug n ALA 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cug h GLU 56 N 0.00 -0.46 -0.65 0.00 4.81 -1.85 -2.44 114.58 113.99 2cug h GLU 56 Ca 0.70 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 60.02 2cug h GLU 56 Cb 1.82 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.23 2cug h GLU 56 CO -0.68 -0.30 -0.38 -3.47 -0.73 0.00 0.00 179.01 173.45 2cug n ASP 57 N -3.99 -0.68 -0.28 1.04 2.03 0.39 0.10 116.55 115.15 2cug n ASP 57 Ca -0.06 1.35 -0.02 0.00 0.52 0.00 0.00 54.79 56.58 2cug n ASP 57 Cb 0.23 -0.25 0.05 0.00 -0.72 0.00 0.00 41.12 40.43 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2cug h ARG 58 N 0.00 -0.07 -0.72 -0.67 9.65 -1.48 0.28 114.38 121.38 2cug h ARG 58 Ca 0.10 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 2cug h ARG 58 Cb 0.26 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.81 2cug h ARG 58 CO -0.61 -0.04 0.42 0.35 2.80 0.00 0.00 179.97 182.89 2cug h PHE 59 N -0.07 0.78 -1.03 2.20 3.04 0.15 -1.71 116.94 120.31 2cug h PHE 59 Ca 0.31 0.03 0.28 0.00 3.98 0.00 0.00 57.97 62.57 2cug h PHE 59 Cb 0.58 -0.25 -0.12 0.00 2.56 0.00 0.00 35.95 38.72 2cug h PHE 59 CO -0.70 0.40 0.62 0.82 -2.02 0.00 0.00 178.31 177.42 2cug h ILE 60 N 0.79 0.46 -0.03 1.41 1.08 0.18 0.35 117.51 121.75 2cug h ILE 60 Ca 0.31 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.56 2cug h ILE 60 Cb 0.15 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2cug h ILE 60 CO -0.16 0.08 -0.25 1.56 -0.69 0.00 0.00 178.15 178.69 2cug h GLN 61 N 0.46 0.22 -0.57 2.37 4.20 -1.02 -2.34 115.11 118.44 2cug h GLN 61 Ca 0.67 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 59.27 2cug h GLN 61 Cb 1.45 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.20 2cug h GLN 61 CO -0.47 0.88 0.15 0.82 -0.67 0.00 0.00 178.83 179.54 2cug h ILE 62 N -0.37 0.71 -0.27 2.54 2.04 -0.63 0.24 117.51 121.76 2cug h ILE 62 Ca -0.02 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2cug h ILE 62 Cb 0.95 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2cug h ILE 62 CO 0.05 0.05 -0.03 -1.28 0.00 0.00 0.00 178.15 176.94 2cug h SER 63 N 0.29 0.49 -0.63 1.72 0.87 -1.09 -2.08 113.55 113.12 2cug h SER 63 Ca 0.29 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2cug h SER 63 Cb 0.40 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2cug h SER 63 CO -0.35 0.71 0.40 0.11 -0.53 0.00 0.00 176.83 177.17 2cug h LYS 64 N 0.26 0.77 0.24 2.24 1.79 -0.80 0.18 116.57 121.25 2cug h LYS 64 Ca 0.07 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2cug h LYS 64 Cb 0.48 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2cug h LYS 64 CO 0.02 0.51 -0.11 0.00 -1.08 0.00 0.00 179.45 178.78 2cug h ALA 65 N 1.26 -0.32 -0.75 3.86 0.00 -0.48 -3.01 119.26 119.83 2cug h ALA 65 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2cug h ALA 65 Cb -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2cug h ALA 65 CO -0.09 -0.64 0.44 -0.92 0.00 0.00 0.00 179.25 178.04 2cug h TYR 66 N -0.40 0.99 -1.00 0.00 3.20 -1.18 -2.81 116.97 115.78 2cug h TYR 66 Ca -0.03 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.09 2cug h TYR 66 Cb 0.30 -0.32 -0.19 0.00 1.54 0.00 0.00 36.73 38.06 2cug h TYR 66 CO -0.04 0.68 -0.04 0.93 -1.64 0.00 0.00 178.16 178.05 2cug h GLU 67 N 1.02 0.00 0.57 1.82 5.08 -0.50 0.84 114.58 123.41 2cug h GLU 67 Ca 0.27 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2cug h GLU 67 Cb -0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2cug h GLU 67 CO -0.05 0.00 -0.27 0.82 -1.00 0.00 0.00 179.01 178.51 2cug h ILE 68 N 0.00 0.43 0.40 3.13 2.04 -1.51 -2.09 117.51 119.91 2cug h ILE 68 Ca 0.58 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.36 2cug h ILE 68 Cb 1.14 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2cug h ILE 68 CO -0.96 0.01 -0.19 -0.07 0.00 0.00 0.00 178.15 176.94 2cug h LEU 69 N -0.81 -0.45 -0.91 1.44 3.38 -0.77 -0.09 115.31 117.11 2cug h LEU 69 Ca -0.08 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.28 2cug h LEU 69 Cb 0.60 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.32 2cug h LEU 69 CO 0.13 -0.28 0.51 -0.24 0.09 0.00 0.00 178.44 178.65 2cug n SER 70 N -3.68 0.29 -4.69 -0.43 2.88 0.26 -4.13 113.62 104.13 2cug n SER 70 Ca -0.07 1.42 -0.42 0.00 -1.33 0.00 0.00 58.87 58.47 2cug n SER 70 Cb 0.21 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2cug n SER 70 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2cug s ASN 71 N -4.55 7.04 0.15 -3.46 -0.87 -0.78 -4.93 114.94 107.53 2cug s ASN 71 Ca -0.08 1.84 -0.16 0.00 -1.57 0.00 0.00 52.86 52.89 2cug s ASN 71 Cb 0.29 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.98 2cug s ASN 71 CO 0.68 -0.59 1.76 1.05 -2.57 0.00 0.00 177.10 177.44 2cug h GLU 72 N 7.47 0.59 0.70 -0.60 4.11 -1.83 0.93 114.58 125.96 2cug h GLU 72 Ca -0.34 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 58.99 2cug h GLU 72 Cb 1.16 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2cug h GLU 72 CO 0.88 0.46 -0.33 0.93 0.07 0.00 0.00 179.01 181.02 2cug h GLU 73 N 0.56 -0.90 -0.48 1.06 4.39 -1.91 -1.64 114.58 115.66 2cug h GLU 73 Ca 0.15 0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.01 2cug h GLU 73 Cb 0.03 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 28.80 2cug h GLU 73 CO -0.03 -0.60 -0.06 0.87 -1.16 0.00 0.00 179.01 178.03 2cug h LYS 74 N -1.14 0.05 0.30 2.33 1.57 -1.75 0.16 116.57 118.09 2cug h LYS 74 Ca -0.10 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2cug h LYS 74 Cb 0.72 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2cug h LYS 74 CO 0.16 0.04 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.56 2cug h ARG 75 N 0.05 -0.72 -0.34 3.15 2.43 0.12 -1.87 114.38 117.19 2cug h ARG 75 Ca 0.24 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2cug h ARG 75 Cb 0.36 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 2cug h ARG 75 CO -0.45 -0.48 -0.10 1.15 -1.51 0.00 0.00 179.97 178.58 2cug h THR 76 N -0.75 0.63 -0.79 0.20 2.02 -0.95 -1.76 112.91 111.50 2cug h THR 76 Ca -0.04 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.33 2cug h THR 76 Cb 0.68 0.63 -0.14 0.00 -1.74 0.00 0.00 68.15 67.58 2cug h THR 76 CO -0.12 0.00 0.03 -1.13 0.37 0.00 0.00 175.52 174.67 2cug h ASN 77 N -0.02 -0.32 0.15 4.18 -1.24 -0.44 -0.64 115.58 117.24 2cug h ASN 77 Ca 0.17 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.38 2cug h ASN 77 Cb 0.28 0.35 -0.03 0.00 0.73 0.00 0.00 38.32 39.64 2cug h ASN 77 CO -0.36 -0.19 -0.39 0.22 -1.29 0.00 0.00 177.43 175.42 2cug h TYR 78 N 0.11 -1.12 -0.32 0.67 5.03 -0.48 0.92 116.97 121.77 2cug h TYR 78 Ca 0.44 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.85 2cug h TYR 78 Cb 0.80 0.47 -0.08 0.00 1.55 0.00 0.00 36.73 39.48 2cug h TYR 78 CO -0.42 -0.46 -0.25 0.22 -1.32 0.00 0.00 178.16 175.94 2cug h ASP 79 N -0.60 -0.81 -0.90 -2.11 1.82 -1.23 0.60 116.42 113.19 2cug h ASP 79 Ca -0.01 0.15 0.18 0.00 -0.39 0.00 0.00 57.03 56.96 2cug h ASP 79 Cb 0.58 0.39 -0.07 0.00 0.68 0.00 0.00 39.33 40.92 2cug h ASP 79 CO -0.18 -0.27 0.59 0.45 -1.61 0.00 0.00 179.24 178.21 2cug h HIS 80 N -0.21 0.72 0.00 0.28 3.86 -0.85 0.46 115.15 119.41 2cug h HIS 80 Ca 0.16 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2cug h HIS 80 Cb 0.47 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 2cug h HIS 80 CO -0.44 0.22 -0.10 -0.92 0.86 0.00 0.00 177.93 177.55 2cug h TYR 81 N 0.57 0.00 -4.92 2.45 5.03 0.15 -3.47 116.97 116.78 2cug h TYR 81 Ca 0.47 0.00 -0.40 0.00 2.58 0.00 0.00 58.73 61.38 2cug h TYR 81 Cb 0.94 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.25 2cug h TYR 81 CO -0.00 0.10 -0.61 0.41 -1.32 0.00 0.00 178.16 176.74 2cug n GLY 82 N 0.02 -0.52 3.73 1.82 0.00 0.16 -4.92 105.19 105.48 2cug n GLY 82 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2cug n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug s SER 83 N -2.79 7.07 0.00 1.61 0.01 -1.25 -4.66 113.70 113.69 2cug s SER 83 Ca 0.37 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2cug s SER 83 Cb -0.17 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2cug s SER 83 CO 0.46 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2cug n GLY 84 N 2.67 0.48 0.00 3.44 0.00 -1.26 -4.86 105.19 105.66 2cug n GLY 84 Ca 0.06 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.60 2cug n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cug n PRO 85 N 0.00 0.25 -3.87 1.61 -0.04 -1.26 -4.61 135.00 127.08 2cug n PRO 85 Ca 0.00 0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 63.23 2cug n PRO 85 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2cug n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cug s SER 86 N -2.49 5.30 -0.01 3.54 1.04 -1.26 -4.85 113.70 114.97 2cug s SER 86 Ca 0.15 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.50 2cug s SER 86 Cb 0.10 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 2cug s SER 86 CO 0.22 0.04 -0.05 -0.55 0.98 0.00 0.00 173.24 173.88 2cug s SER 87 N 1.18 4.76 0.00 7.02 0.15 -1.26 -4.71 113.70 120.83 2cug s SER 87 Ca 0.04 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.73 2cug s SER 87 Cb -0.14 -1.15 0.10 0.00 -1.71 0.00 0.00 66.02 63.11 2cug s SER 87 CO 0.03 0.29 0.91 0.61 1.20 0.00 0.00 173.24 176.28