#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug n SER 2 N 0.00 -4.39 -0.30 1.61 2.88 -1.26 -4.83 113.62 107.34 2cug n SER 2 Ca 0.00 -0.70 0.16 0.00 -1.33 0.00 0.00 58.87 57.00 2cug n SER 2 Cb 0.00 -4.37 0.31 0.00 -0.75 0.00 0.00 64.21 59.40 2cug n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cug n SER 3 N -2.96 -0.01 0.00 -3.46 2.88 -1.26 -4.78 113.62 104.03 2cug n SER 3 Ca -0.06 1.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 2cug n SER 3 Cb 0.58 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2cug n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cug n GLY 4 N -1.39 0.76 3.52 0.46 0.00 -1.26 -4.93 105.19 102.34 2cug n GLY 4 Ca 0.23 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2cug n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cug s SER 5 N -4.00 -0.36 0.05 1.61 1.04 -1.26 -5.19 113.70 105.59 2cug s SER 5 Ca 0.00 0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.33 2cug s SER 5 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.52 2cug s SER 5 CO 0.00 -0.55 0.45 -0.44 0.98 0.00 0.00 173.24 173.68 2cug s SER 6 N -2.18 -0.33 -0.23 7.02 0.01 -1.26 -5.07 113.70 111.66 2cug s SER 6 Ca 0.04 0.02 0.20 0.00 1.31 0.00 0.00 55.95 57.52 2cug s SER 6 Cb -0.01 0.45 0.49 0.00 0.21 0.00 0.00 66.02 67.16 2cug s SER 6 CO -0.06 -0.70 1.14 0.61 0.41 0.00 0.00 173.24 174.63 2cug n GLY 7 N 0.39 2.65 3.94 3.44 0.00 -1.26 -5.10 105.19 109.26 2cug n GLY 7 Ca -0.18 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2cug n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cug s ILE 8 N -3.42 2.09 0.03 -0.61 -5.25 -1.26 -5.11 121.20 107.67 2cug s ILE 8 Ca 0.33 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 59.79 2cug s ILE 8 Cb 0.35 -2.89 -0.02 0.00 2.95 0.00 0.00 42.46 42.85 2cug s ILE 8 CO -0.04 0.00 -0.04 -1.48 -1.79 0.00 0.00 174.94 171.58 2cug s LEU 9 N -5.54 2.29 -0.06 0.37 -0.00 -1.26 -5.05 118.68 109.43 2cug s LEU 9 Ca 0.68 -0.60 0.05 0.00 -0.00 0.00 0.00 54.13 54.26 2cug s LEU 9 Cb -0.06 0.04 -0.07 0.00 -0.00 0.00 0.00 46.19 46.10 2cug s LEU 9 CO 0.49 -0.32 0.01 0.00 -0.00 0.00 0.00 176.35 176.53 2cug n GLN 10 N 1.30 2.87 -0.26 1.48 0.00 -1.26 -4.68 117.38 116.82 2cug n GLN 10 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 57.00 56.90 2cug n GLN 10 Cb 0.56 -1.14 0.23 0.00 0.00 0.00 0.00 30.24 29.89 2cug n GLN 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2cug n SER 11 N -2.25 -0.08 -4.44 2.61 7.64 -1.26 -4.06 113.62 111.79 2cug n SER 11 Ca -0.09 1.30 -0.33 0.00 1.01 0.00 0.00 58.87 60.76 2cug n SER 11 Cb 0.68 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 2cug n SER 11 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cug s LEU 12 N -10.12 2.79 -0.12 -3.43 2.96 -1.26 -5.10 118.68 104.39 2cug s LEU 12 Ca -0.10 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2cug s LEU 12 Cb 0.23 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.37 2cug s LEU 12 CO 0.60 0.27 0.08 -0.44 -1.32 0.00 0.00 176.35 175.53 2cug s SER 13 N -0.26 1.87 0.51 3.68 0.01 -1.26 -4.96 113.70 113.30 2cug s SER 13 Ca 0.02 -0.34 0.21 0.00 1.31 0.00 0.00 55.95 57.15 2cug s SER 13 Cb -0.13 -0.21 1.30 0.00 0.21 0.00 0.00 66.02 67.19 2cug s SER 13 CO 0.03 -0.31 2.03 0.00 0.41 0.00 0.00 173.24 175.40 2cug h ALA 14 N 8.42 2.29 -2.97 1.44 0.00 -1.80 -3.41 119.26 123.24 2cug h ALA 14 Ca -0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2cug h ALA 14 Cb 1.14 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2cug h ALA 14 CO 0.24 -0.40 0.16 -0.48 0.00 0.00 0.00 179.25 178.76 2cug s LEU 15 N -8.94 -0.15 0.13 0.00 2.34 -1.26 -2.72 118.68 108.08 2cug s LEU 15 Ca -0.06 -0.66 -0.27 0.00 0.06 0.00 0.00 54.13 53.21 2cug s LEU 15 Cb 0.19 2.53 -0.07 0.00 -0.56 0.00 0.00 46.19 48.29 2cug s LEU 15 CO 0.72 -1.30 1.46 0.44 -1.06 0.00 0.00 176.35 176.61 2cug h ASP 16 N 2.05 -1.77 -4.80 1.48 3.32 -2.02 -3.43 116.42 111.25 2cug h ASP 16 Ca -0.21 0.26 -0.20 0.00 0.02 0.00 0.00 57.03 56.90 2cug h ASP 16 Cb 1.25 0.77 -0.16 0.00 0.22 0.00 0.00 39.33 41.41 2cug h ASP 16 CO 0.26 -0.23 -0.70 0.72 -1.72 0.00 0.00 179.24 177.57 2cug s PHE 17 N -5.15 0.74 0.02 4.55 -0.12 -1.26 -5.11 117.98 111.66 2cug s PHE 17 Ca -0.11 -0.89 -0.13 0.00 -0.05 0.00 0.00 56.93 55.76 2cug s PHE 17 Cb 0.09 -0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 41.97 2cug s PHE 17 CO 0.52 -0.20 0.40 -0.51 -0.05 0.00 0.00 175.22 175.38 2cug s ASP 18 N -2.76 6.74 -0.02 1.98 1.11 -1.26 -5.02 116.67 117.44 2cug s ASP 18 Ca 0.07 0.89 -0.25 0.00 0.18 0.00 0.00 52.55 53.43 2cug s ASP 18 Cb 0.03 -2.22 -0.20 0.00 1.07 0.00 0.00 42.92 41.61 2cug s ASP 18 CO -0.05 0.28 1.23 1.55 1.18 0.00 0.00 175.17 179.35 2cug h PRO 19 N 4.39 -0.06 -0.76 8.23 0.13 -1.97 -2.07 132.00 139.90 2cug h PRO 19 Ca -0.51 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2cug h PRO 19 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2cug h PRO 19 CO 0.63 0.41 0.50 1.88 -0.23 0.00 0.00 178.00 181.19 2cug h TYR 20 N -0.55 0.77 -0.27 1.56 -1.99 -1.88 -0.82 116.97 113.79 2cug h TYR 20 Ca -0.01 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.56 2cug h TYR 20 Cb 0.49 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.97 2cug h TYR 20 CO 0.09 0.39 -0.54 0.00 -0.00 0.00 0.00 178.16 178.10 2cug h ARG 21 N 0.74 0.85 0.63 4.88 2.47 -1.73 0.16 114.38 122.38 2cug h ARG 21 Ca 0.34 -0.55 -0.03 0.00 -1.26 0.00 0.00 59.98 58.48 2cug h ARG 21 Cb 0.34 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2cug h ARG 21 CO -0.12 1.18 -0.30 0.28 0.56 0.00 0.00 179.97 181.57 2cug h VAL 22 N 0.62 0.31 -0.46 2.04 2.07 -0.57 -2.99 116.25 117.27 2cug h VAL 22 Ca 0.01 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2cug h VAL 22 Cb 1.15 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2cug h VAL 22 CO 0.12 0.03 0.30 -0.07 0.02 0.00 0.00 177.57 177.97 2cug h LEU 23 N -1.00 0.43 -0.04 2.57 3.38 -1.28 -3.47 115.31 115.91 2cug h LEU 23 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2cug h LEU 23 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2cug h LEU 23 CO 0.14 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2cug n GLY 24 N -1.49 1.39 3.46 0.83 0.00 -0.70 -4.87 105.19 103.82 2cug n GLY 24 Ca 0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.04 2.00 0.39 1.61 -7.23 0.49 -5.03 120.40 110.60 2cug s VAL 25 Ca 0.00 -2.21 0.08 0.00 -1.81 0.00 0.00 61.98 58.03 2cug s VAL 25 Cb 0.00 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2cug s VAL 25 CO 0.00 -0.32 0.11 -0.44 -0.31 0.00 0.00 175.10 174.14 2cug s SER 26 N -3.50 4.30 0.21 4.85 0.01 -1.26 -4.27 113.70 114.04 2cug s SER 26 Ca 0.30 -1.09 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 2cug s SER 26 Cb 0.01 -0.49 0.18 0.00 0.21 0.00 0.00 66.02 65.93 2cug s SER 26 CO 0.13 -0.44 1.55 0.08 0.41 0.00 0.00 173.24 174.97 2cug h ARG 27 N 1.57 -0.03 -1.26 12.44 0.11 -2.02 0.90 114.38 126.10 2cug h ARG 27 Ca -0.43 0.00 0.39 0.00 0.10 0.00 0.00 59.98 60.05 2cug h ARG 27 Cb 1.25 0.01 -0.12 0.00 1.11 0.00 0.00 29.97 32.22 2cug h ARG 27 CO 0.71 -0.02 0.81 0.00 0.10 0.00 0.00 179.97 181.57 2cug h THR 28 N -0.03 0.22 -2.72 0.08 1.03 -2.06 -3.39 112.91 106.04 2cug h THR 28 Ca 0.30 -0.05 -0.52 0.00 -0.01 0.00 0.00 66.41 66.13 2cug h THR 28 Cb 0.57 0.05 0.05 0.00 -1.07 0.00 0.00 68.15 67.75 2cug h THR 28 CO -0.94 0.03 0.96 0.00 -0.01 0.00 0.00 175.52 175.57 2cug s ALA 29 N -5.33 3.82 0.48 0.00 0.00 0.31 -5.01 121.76 116.03 2cug s ALA 29 Ca -0.08 1.43 0.07 0.00 0.00 0.00 0.00 51.96 53.38 2cug s ALA 29 Cb 0.29 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2cug s ALA 29 CO 0.82 -0.92 0.35 0.45 0.00 0.00 0.00 175.76 176.46 2cug s SER 30 N 1.49 4.72 0.09 0.00 0.15 -1.26 -4.86 113.70 114.02 2cug s SER 30 Ca 0.73 -1.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.16 2cug s SER 30 Cb -0.45 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 2cug s SER 30 CO 0.32 -0.85 1.11 0.00 1.20 0.00 0.00 173.24 175.03 2cug n GLN 31 N -1.59 -0.24 -0.36 5.44 1.13 -1.26 -0.67 117.38 119.83 2cug n GLN 31 Ca 0.00 1.09 -0.10 0.00 -1.94 0.00 0.00 57.00 56.05 2cug n GLN 31 Cb 0.64 -1.62 -0.09 0.00 0.11 0.00 0.00 30.24 29.28 2cug n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cug h ALA 32 N 0.00 -0.52 -0.56 -1.58 0.00 -2.00 0.24 119.26 114.84 2cug h ALA 32 Ca 0.09 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2cug h ALA 32 Cb 0.22 1.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 2cug h ALA 32 CO -0.51 -0.89 0.13 0.22 0.00 0.00 0.00 179.25 178.20 2cug h ASP 33 N -0.03 0.03 0.08 0.00 1.82 -1.29 -2.52 116.42 114.51 2cug h ASP 33 Ca 0.14 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 2cug h ASP 33 Cb 0.38 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 2cug h ASP 33 CO -0.83 0.03 -0.23 0.40 -1.61 0.00 0.00 179.24 177.00 2cug h ILE 34 N 0.27 0.00 -0.96 2.25 2.04 0.17 0.19 117.51 121.47 2cug h ILE 34 Ca 0.29 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.35 2cug h ILE 34 Cb 0.41 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.31 2cug h ILE 34 CO -0.36 0.00 -0.19 0.11 0.00 0.00 0.00 178.15 177.71 2cug h LYS 35 N -0.34 0.00 -0.64 2.37 1.57 -0.89 1.12 116.57 119.75 2cug h LYS 35 Ca -0.01 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2cug h LYS 35 Cb 0.34 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2cug h LYS 35 CO -0.11 0.00 0.24 -0.22 -0.57 0.00 0.00 179.45 178.80 2cug h LYS 36 N 0.00 0.95 -0.36 3.15 3.64 -1.00 -2.18 116.57 120.77 2cug h LYS 36 Ca 0.48 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2cug h LYS 36 Cb 0.79 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2cug h LYS 36 CO -0.97 0.79 -0.06 0.00 -2.27 0.00 0.00 179.45 176.93 2cug h ALA 37 N 1.34 0.49 0.24 5.00 0.00 0.42 -3.00 119.26 123.75 2cug h ALA 37 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2cug h ALA 37 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2cug h ALA 37 CO -0.02 0.32 -0.11 -0.92 0.00 0.00 0.00 179.25 178.52 2cug h TYR 38 N 0.47 -0.29 -0.83 0.00 3.20 -0.24 -2.72 116.97 116.56 2cug h TYR 38 Ca 0.09 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.04 2cug h TYR 38 Cb 0.56 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.82 2cug h TYR 38 CO 0.05 -0.18 -0.47 1.63 -1.64 0.00 0.00 178.16 177.54 2cug n LYS 39 N -2.87 -0.34 -0.26 1.82 4.01 -0.84 0.42 118.16 120.09 2cug n LYS 39 Ca -0.04 1.26 -0.01 0.00 -0.51 0.00 0.00 58.31 59.01 2cug n LYS 39 Cb 0.13 -1.85 0.05 0.00 -0.51 0.00 0.00 35.03 32.85 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 -0.35 1.97 3.11 -1.54 0.50 116.57 120.20 2cug h LYS 40 Ca 0.15 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.92 2cug h LYS 40 Cb 0.36 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 2cug h LYS 40 CO -0.78 -0.04 -0.10 -0.07 -2.81 0.00 0.00 179.45 175.65 2cug h LEU 41 N -0.06 0.57 -1.21 5.20 3.38 0.30 -1.66 115.31 121.84 2cug h LEU 41 Ca 0.32 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2cug h LEU 41 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2cug h LEU 41 CO -0.78 0.71 -0.31 0.00 0.09 0.00 0.00 178.44 178.15 2cug h ALA 42 N 1.35 1.34 0.06 1.53 0.00 0.38 0.20 119.26 124.13 2cug h ALA 42 Ca 0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2cug h ALA 42 Cb 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.23 2cug h ALA 42 CO 0.03 0.47 -0.76 0.00 0.00 0.00 0.00 179.25 178.99 2cug h ARG 43 N 0.12 0.40 0.16 0.00 3.08 0.07 -1.42 114.38 116.80 2cug h ARG 43 Ca 0.02 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2cug h ARG 43 Cb 0.62 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2cug h ARG 43 CO 0.05 1.19 -0.08 0.93 -1.07 0.00 0.00 179.97 180.98 2cug h GLU 44 N -0.15 -0.21 -0.35 0.04 4.39 -1.22 -3.12 114.58 113.96 2cug h GLU 44 Ca -0.11 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2cug h GLU 44 Cb 1.50 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2cug h GLU 44 CO 0.15 0.22 0.00 0.91 -1.16 0.00 0.00 179.01 179.13 2cug n TRP 45 N -4.95 0.21 -1.68 4.33 7.02 0.71 -4.85 117.44 118.23 2cug n TRP 45 Ca -0.08 -0.09 -0.46 0.00 -1.02 0.00 0.00 57.50 55.85 2cug n TRP 45 Cb 0.27 -0.05 -0.04 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.08 2.38 0.21 -5.99 -0.00 -0.53 -4.55 115.22 106.65 2cug n HIS 46 Ca 0.04 0.08 0.07 0.00 0.46 0.00 0.00 57.72 58.37 2cug n HIS 46 Cb 0.18 -2.63 0.44 0.00 -0.12 0.00 0.00 29.99 27.86 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 7.58 0.00 -0.58 1.57 0.13 -1.86 -0.03 132.00 138.81 2cug h PRO 47 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2cug h PRO 47 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2cug h PRO 47 CO 0.92 0.31 0.26 -0.44 -0.23 0.00 0.00 178.00 178.81 2cug h ASP 48 N 0.00 0.74 0.17 1.44 5.19 -1.95 -3.05 116.42 118.97 2cug h ASP 48 Ca -0.00 -0.08 -0.34 0.00 -0.62 0.00 0.00 57.03 55.98 2cug h ASP 48 Cb 0.72 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.98 2cug h ASP 48 CO 0.04 0.65 -2.15 1.17 -3.12 0.00 0.00 179.24 175.83 2cug n LYS 49 N -4.35 0.67 -2.37 3.56 4.81 -1.14 -4.88 118.16 114.46 2cug n LYS 49 Ca 0.05 0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 57.16 2cug n LYS 49 Cb 0.14 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2cug s ASN 50 N -5.70 6.83 -0.22 3.14 0.01 -0.04 -4.88 114.94 114.09 2cug s ASN 50 Ca -0.08 1.63 0.10 0.00 -0.71 0.00 0.00 52.86 53.80 2cug s ASN 50 Cb 0.07 -2.54 -0.22 0.00 0.41 0.00 0.00 41.25 38.97 2cug s ASN 50 CO 0.83 -0.87 -0.02 0.29 -1.51 0.00 0.00 177.10 175.82 2cug n LYS 51 N 6.86 0.67 -1.70 -0.60 4.01 -1.26 -4.76 118.16 121.38 2cug n LYS 51 Ca 0.15 0.08 -0.42 0.00 -0.51 0.00 0.00 58.31 57.61 2cug n LYS 51 Cb 0.45 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2cug n ASP 52 N -3.01 2.60 -4.65 4.39 9.92 -1.26 -4.89 116.55 119.65 2cug n ASP 52 Ca -0.38 1.15 -0.43 0.00 -0.53 0.00 0.00 54.79 54.60 2cug n ASP 52 Cb 1.08 -1.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.04 2cug n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cug s PRO 53 N -2.06 4.04 0.00 -0.24 0.04 -1.26 -3.34 135.00 132.18 2cug s PRO 53 Ca 0.59 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2cug s PRO 53 Cb -0.53 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2cug s PRO 53 CO 0.60 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2cug n GLY 54 N 4.23 4.02 0.32 0.56 0.00 -1.26 -4.97 105.19 108.09 2cug n GLY 54 Ca 0.17 -0.95 0.21 0.00 0.00 0.00 0.00 46.02 45.45 2cug n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cug h ALA 55 N 0.00 1.67 0.35 4.61 0.00 -1.93 0.80 119.26 124.76 2cug h ALA 55 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2cug h ALA 55 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2cug h ALA 55 CO 0.00 -0.62 -0.28 1.49 0.00 0.00 0.00 179.25 179.84 2cug h GLU 56 N 0.17 -0.61 -0.78 0.00 4.81 -1.85 -1.02 114.58 115.31 2cug h GLU 56 Ca 0.68 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 60.04 2cug h GLU 56 Cb 1.55 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.96 2cug h GLU 56 CO -0.71 -0.40 -0.53 0.22 -0.73 0.00 0.00 179.01 176.86 2cug h ASP 57 N -0.63 -1.87 -0.35 1.04 3.58 -1.26 0.70 116.42 117.63 2cug h ASP 57 Ca -0.03 0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.75 2cug h ASP 57 Cb 0.55 0.83 -0.04 0.00 1.72 0.00 0.00 39.33 42.39 2cug h ASP 57 CO -0.01 -0.30 0.12 -0.09 -2.88 0.00 0.00 179.24 176.08 2cug h ARG 58 N -0.14 0.27 -0.69 0.28 9.65 -1.39 -2.47 114.38 119.89 2cug h ARG 58 Ca 0.17 -0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.18 2cug h ARG 58 Cb 0.51 -0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 28.91 2cug h ARG 58 CO -0.82 0.18 -0.05 0.35 2.80 0.00 0.00 179.97 182.43 2cug h PHE 59 N 0.27 -0.14 -0.50 2.20 3.57 0.46 0.21 116.94 123.01 2cug h PHE 59 Ca 0.16 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2cug h PHE 59 Cb 0.12 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 2cug h PHE 59 CO -0.14 -0.24 0.01 0.82 -2.23 0.00 0.00 178.31 176.54 2cug h ILE 60 N 0.07 0.61 -0.20 1.41 2.04 -0.69 -0.82 117.51 119.94 2cug h ILE 60 Ca 0.36 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.19 2cug h ILE 60 Cb 0.60 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2cug h ILE 60 CO -0.63 0.02 0.08 1.56 0.00 0.00 0.00 178.15 179.18 2cug h GLN 61 N 0.13 0.18 -0.00 2.37 1.08 -0.92 0.23 115.11 118.17 2cug h GLN 61 Ca 0.26 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.48 2cug h GLN 61 Cb 0.38 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 2cug h GLN 61 CO -0.41 0.12 -0.24 0.82 -0.95 0.00 0.00 178.83 178.16 2cug h ILE 62 N 0.18 0.45 -0.25 2.54 2.04 -0.46 0.48 117.51 122.49 2cug h ILE 62 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2cug h ILE 62 Cb 0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2cug h ILE 62 CO -0.08 0.00 0.12 -1.28 0.00 0.00 0.00 178.15 176.92 2cug h SER 63 N -0.37 0.32 0.09 1.72 0.87 -1.00 -1.50 113.55 113.68 2cug h SER 63 Ca 0.06 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2cug h SER 63 Cb 0.45 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2cug h SER 63 CO -0.22 0.35 -0.08 0.11 -0.53 0.00 0.00 176.83 176.46 2cug h LYS 64 N 0.27 0.00 0.04 2.24 1.79 -0.21 0.18 116.57 120.88 2cug h LYS 64 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2cug h LYS 64 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2cug h LYS 64 CO -0.01 0.08 -0.02 0.00 -1.08 0.00 0.00 179.45 178.42 2cug h ALA 65 N 1.92 -0.05 -0.31 3.86 0.00 0.50 -3.30 119.26 121.87 2cug h ALA 65 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2cug h ALA 65 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2cug h ALA 65 CO 0.01 -0.23 -0.07 -0.92 0.00 0.00 0.00 179.25 178.04 2cug h TYR 66 N -0.66 0.67 -0.93 0.00 3.20 -1.04 -3.13 116.97 115.09 2cug h TYR 66 Ca -0.01 -0.14 0.28 0.00 3.14 0.00 0.00 58.73 62.00 2cug h TYR 66 Cb 0.59 -0.16 -0.17 0.00 1.54 0.00 0.00 36.73 38.52 2cug h TYR 66 CO 0.12 0.78 0.11 0.39 -1.64 0.00 0.00 178.16 177.93 2cug n GLU 67 N -4.47 -0.07 0.11 1.82 -0.58 0.62 0.13 120.64 118.21 2cug n GLU 67 Ca -0.03 1.37 -0.07 0.00 -0.42 0.00 0.00 57.16 58.01 2cug n GLU 67 Cb 0.32 -2.22 -0.04 0.00 -0.57 0.00 0.00 31.44 28.93 2cug n GLU 67 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2cug h ILE 68 N 0.00 0.00 0.22 -3.67 2.04 -1.62 -2.62 117.51 111.86 2cug h ILE 68 Ca 0.60 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.47 2cug h ILE 68 Cb 1.33 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2cug h ILE 68 CO -0.84 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 176.98 2cug h LEU 69 N -0.37 -0.71 -0.71 1.44 3.38 -1.17 -2.59 115.31 114.57 2cug h LEU 69 Ca -0.03 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2cug h LEU 69 Cb 0.32 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.19 2cug h LEU 69 CO -0.01 -0.37 -0.13 -0.24 0.09 0.00 0.00 178.44 177.77 2cug n SER 70 N -5.38 -0.21 -4.68 -0.43 2.88 0.12 -4.04 113.62 101.87 2cug n SER 70 Ca -0.08 1.22 -0.42 0.00 -1.33 0.00 0.00 58.87 58.26 2cug n SER 70 Cb 0.29 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 2cug n SER 70 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2cug s ASN 71 N -5.14 6.90 0.34 -3.46 3.84 -0.99 -4.91 114.94 111.52 2cug s ASN 71 Ca -0.10 1.97 0.05 0.00 0.21 0.00 0.00 52.86 54.98 2cug s ASN 71 Cb 0.20 -2.55 0.69 0.00 -0.55 0.00 0.00 41.25 39.03 2cug s ASN 71 CO 0.56 -0.72 1.93 1.05 -2.79 0.00 0.00 177.10 177.12 2cug h GLU 72 N 8.00 0.80 0.12 0.43 4.11 -1.84 0.20 114.58 126.40 2cug h GLU 72 Ca -0.35 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 2cug h GLU 72 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2cug h GLU 72 CO 0.92 0.53 -0.06 1.49 0.07 0.00 0.00 179.01 181.96 2cug h GLU 73 N 0.83 -0.15 -0.91 1.06 4.81 -1.89 -2.53 114.58 115.79 2cug h GLU 73 Ca 0.36 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.86 2cug h GLU 73 Cb 0.33 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.60 2cug h GLU 73 CO -0.14 -0.10 0.32 0.87 -0.73 0.00 0.00 179.01 179.23 2cug h LYS 74 N -0.31 0.23 0.59 1.92 1.57 -1.75 0.33 116.57 119.15 2cug h LYS 74 Ca -0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2cug h LYS 74 Cb 0.12 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2cug h LYS 74 CO 0.03 0.15 -0.36 -0.09 -0.57 0.00 0.00 179.45 178.61 2cug h ARG 75 N 0.24 -0.86 -0.54 3.15 2.43 -0.67 -2.69 114.38 115.44 2cug h ARG 75 Ca 0.60 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.94 2cug h ARG 75 Cb 1.26 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 30.91 2cug h ARG 75 CO -0.65 -0.57 -0.00 1.15 -1.51 0.00 0.00 179.97 178.39 2cug h THR 76 N -0.89 0.56 -0.68 0.20 2.02 -0.83 -2.20 112.91 111.10 2cug h THR 76 Ca -0.08 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.15 2cug h THR 76 Cb 0.71 0.44 -0.11 0.00 -1.74 0.00 0.00 68.15 67.45 2cug h THR 76 CO 0.08 0.02 -0.48 0.78 0.37 0.00 0.00 175.52 176.29 2cug h ASN 77 N 0.11 -1.66 -0.14 4.18 2.35 -0.86 0.19 115.58 119.75 2cug h ASN 77 Ca 0.28 0.27 0.02 0.00 -0.55 0.00 0.00 56.30 56.32 2cug h ASN 77 Cb 0.43 0.75 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 2cug h ASN 77 CO -0.46 -0.32 -0.29 0.22 -1.65 0.00 0.00 177.43 174.93 2cug h TYR 78 N -0.19 -0.86 -0.64 1.19 5.03 -1.06 0.53 116.97 120.97 2cug h TYR 78 Ca 0.18 0.04 0.14 0.00 2.58 0.00 0.00 58.73 61.66 2cug h TYR 78 Cb 0.55 0.40 -0.11 0.00 1.55 0.00 0.00 36.73 39.11 2cug h TYR 78 CO -0.79 -0.27 -0.01 -0.44 -1.32 0.00 0.00 178.16 175.34 2cug h ASP 79 N -0.25 -0.31 -0.46 -2.11 3.32 -1.29 0.41 116.42 115.74 2cug h ASP 79 Ca 0.03 0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.35 2cug h ASP 79 Cb 0.33 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2cug h ASP 79 CO -0.27 -0.13 0.32 0.45 -1.72 0.00 0.00 179.24 177.89 2cug h HIS 80 N 0.11 0.12 0.00 4.55 3.86 0.32 0.26 115.15 124.37 2cug h HIS 80 Ca 0.34 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 2cug h HIS 80 Cb 0.56 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2cug h HIS 80 CO -0.39 0.06 -0.08 -0.92 0.86 0.00 0.00 177.93 177.46 2cug h TYR 81 N 0.11 0.00 -2.99 2.45 5.03 0.20 -3.47 116.97 118.30 2cug h TYR 81 Ca 0.22 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.32 2cug h TYR 81 Cb 0.71 0.00 0.05 0.00 1.55 0.00 0.00 36.73 39.04 2cug h TYR 81 CO -0.00 0.08 -0.33 0.41 -1.32 0.00 0.00 178.16 177.01 2cug n GLY 82 N 0.38 0.14 3.61 1.82 0.00 0.91 -3.15 105.19 108.90 2cug n GLY 82 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2cug n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cug n SER 83 N -0.60 -4.88 -4.86 1.61 7.64 -1.25 -4.99 113.62 106.29 2cug n SER 83 Ca -0.03 -0.61 -0.27 0.00 1.01 0.00 0.00 58.87 58.98 2cug n SER 83 Cb 0.55 -4.83 -0.04 0.00 -1.01 0.00 0.00 64.21 58.87 2cug n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cug s GLY 84 N -3.62 1.77 -0.02 0.23 0.00 -1.19 -4.33 107.32 100.17 2cug s GLY 84 Ca 0.43 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 2cug s GLY 84 CO 0.75 -1.10 1.46 2.56 0.00 0.00 0.00 173.10 176.77 2cug s PRO 85 N -3.05 4.25 0.04 2.90 0.04 -1.26 -4.53 135.00 133.39 2cug s PRO 85 Ca 0.32 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 2cug s PRO 85 Cb -0.11 -3.67 -0.17 0.00 0.04 0.00 0.00 34.50 30.59 2cug s PRO 85 CO 0.26 -0.66 1.54 1.03 0.04 0.00 0.00 177.00 179.21 2cug h SER 86 N 8.24 0.02 -3.81 6.66 0.87 -1.83 -3.43 113.55 120.27 2cug h SER 86 Ca -0.37 -0.21 -0.48 0.00 -1.23 0.00 0.00 61.79 59.49 2cug h SER 86 Cb 1.17 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2cug h SER 86 CO 0.92 0.23 0.21 -0.94 -0.53 0.00 0.00 176.83 176.72 2cug s SER 87 N -5.43 6.99 0.00 6.23 1.04 -1.26 -5.20 113.70 116.08 2cug s SER 87 Ca -0.14 1.53 0.17 0.00 0.48 0.00 0.00 55.95 57.98 2cug s SER 87 Cb 0.04 -2.47 0.13 0.00 0.10 0.00 0.00 66.02 63.83 2cug s SER 87 CO 0.67 -0.16 1.02 0.61 0.98 0.00 0.00 173.24 176.36