#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug s SER 2 N 0.00 6.47 -1.36 1.61 0.01 -1.26 -4.37 113.70 114.80 2cug s SER 2 Ca 0.00 0.53 -0.06 0.00 1.31 0.00 0.00 55.95 57.73 2cug s SER 2 Cb 0.00 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.17 2cug s SER 2 CO 0.00 0.31 0.98 -1.20 0.41 0.00 0.00 173.24 173.74 2cug n SER 3 N 1.42 -3.89 -4.38 2.44 7.64 -1.26 -4.93 113.62 110.67 2cug n SER 3 Ca -0.14 -0.69 -0.45 0.00 1.01 0.00 0.00 58.87 58.61 2cug n SER 3 Cb 0.53 -4.52 -0.04 0.00 -1.01 0.00 0.00 64.21 59.17 2cug n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cug s GLY 4 N -3.77 1.85 -0.12 0.23 0.00 -1.26 -4.89 107.32 99.36 2cug s GLY 4 Ca 0.36 -2.36 -0.05 0.00 0.00 0.00 0.00 44.72 42.67 2cug s GLY 4 CO 0.78 1.60 -0.03 0.23 0.00 0.00 0.00 173.10 175.68 2cug h SER 5 N 9.05 0.00 -2.90 1.64 0.87 -1.98 -3.46 113.55 116.78 2cug h SER 5 Ca -0.22 -0.05 -0.57 0.00 -1.23 0.00 0.00 61.79 59.71 2cug h SER 5 Cb 1.08 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.12 2cug h SER 5 CO 1.08 0.64 0.67 -0.24 -0.53 0.00 0.00 176.83 178.45 2cug n SER 6 N -4.70 3.04 0.00 6.23 2.88 -1.26 -4.99 113.62 114.81 2cug n SER 6 Ca -0.04 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2cug n SER 6 Cb 0.13 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 2cug n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cug n GLY 7 N 2.01 5.41 3.88 0.46 0.00 -1.26 -5.14 105.19 110.54 2cug n GLY 7 Ca 0.10 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 1.62 4.90 0.13 -0.61 -0.00 -1.26 -5.12 121.20 120.86 2cug s ILE 8 Ca 0.00 -0.94 -0.17 0.00 -0.00 0.00 0.00 60.65 59.54 2cug s ILE 8 Cb 0.00 -3.54 0.04 0.00 -0.00 0.00 0.00 42.46 38.96 2cug s ILE 8 CO 0.00 -0.14 0.43 -0.22 -0.00 0.00 0.00 174.94 175.01 2cug s LEU 9 N -3.30 0.25 -0.20 0.37 2.96 -1.26 -5.12 118.68 112.39 2cug s LEU 9 Ca 0.33 -0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 2cug s LEU 9 Cb -0.10 1.96 -0.04 0.00 0.50 0.00 0.00 46.19 48.51 2cug s LEU 9 CO 0.26 -0.88 1.87 -1.58 -1.32 0.00 0.00 176.35 174.71 2cug s GLN 10 N -3.80 3.58 -0.09 1.98 -0.44 -1.26 -4.89 119.66 114.74 2cug s GLN 10 Ca 0.03 1.87 -0.02 0.00 -2.50 0.00 0.00 55.36 54.75 2cug s GLN 10 Cb 0.01 -4.18 -0.01 0.00 -1.64 0.00 0.00 33.01 27.20 2cug s GLN 10 CO -0.12 -1.57 -0.03 1.03 0.50 0.00 0.00 175.29 175.10 2cug h SER 11 N 12.32 0.00 -3.75 6.67 0.87 -2.05 -3.49 113.55 124.11 2cug h SER 11 Ca -0.38 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 59.75 2cug h SER 11 Cb 1.19 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.01 2cug h SER 11 CO 0.99 0.46 -0.60 -0.76 -0.53 0.00 0.00 176.83 176.38 2cug s LEU 12 N -7.68 1.95 0.12 2.23 1.43 -1.26 -5.10 118.68 110.35 2cug s LEU 12 Ca -0.03 -1.40 -0.31 0.00 -1.03 0.00 0.00 54.13 51.36 2cug s LEU 12 Cb 0.00 -0.20 -0.11 0.00 0.03 0.00 0.00 46.19 45.92 2cug s LEU 12 CO 0.04 -0.68 1.84 -1.20 0.23 0.00 0.00 176.35 176.58 2cug n SER 13 N -0.65 4.03 -4.87 2.29 7.64 -1.26 -4.97 113.62 115.83 2cug n SER 13 Ca -0.01 0.98 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 2cug n SER 13 Cb 0.66 -1.54 0.04 0.00 -1.01 0.00 0.00 64.21 62.36 2cug n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cug s ALA 14 N 2.82 2.93 0.44 -0.43 0.00 -1.26 -4.55 121.76 121.71 2cug s ALA 14 Ca 0.82 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.60 2cug s ALA 14 Cb -0.49 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2cug s ALA 14 CO 0.38 -1.02 0.07 -0.48 0.00 0.00 0.00 175.76 174.71 2cug s LEU 15 N -5.32 2.80 0.14 0.00 2.34 -1.26 -4.77 118.68 112.61 2cug s LEU 15 Ca 0.57 -1.36 -0.23 0.00 0.06 0.00 0.00 54.13 53.18 2cug s LEU 15 Cb -0.11 -1.00 -0.00 0.00 -0.56 0.00 0.00 46.19 44.51 2cug s LEU 15 CO 0.53 -0.59 1.24 0.47 -1.06 0.00 0.00 176.35 176.94 2cug n ASP 16 N -1.13 -0.78 -3.84 1.48 8.00 -1.26 -4.68 116.55 114.34 2cug n ASP 16 Ca -0.07 1.43 -0.09 0.00 0.71 0.00 0.00 54.79 56.76 2cug n ASP 16 Cb 0.66 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2cug s PHE 17 N -5.48 0.15 -0.04 1.24 -0.12 -1.26 -5.17 117.98 107.30 2cug s PHE 17 Ca -0.10 -0.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.28 2cug s PHE 17 Cb 0.10 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2cug s PHE 17 CO 0.52 -0.66 -0.10 0.34 -0.05 0.00 0.00 175.22 175.27 2cug s ASP 18 N -2.89 4.42 0.15 1.98 2.15 -1.26 -5.03 116.67 116.19 2cug s ASP 18 Ca 0.09 -0.12 -0.10 0.00 0.43 0.00 0.00 52.55 52.85 2cug s ASP 18 Cb 0.03 -1.03 -0.02 0.00 -0.30 0.00 0.00 42.92 41.60 2cug s ASP 18 CO -0.07 0.34 1.48 1.55 -0.17 0.00 0.00 175.17 178.30 2cug h PRO 19 N 5.08 0.92 -0.10 4.34 0.13 -1.95 -1.99 132.00 138.42 2cug h PRO 19 Ca -0.48 -0.48 -0.03 0.00 -0.87 0.00 0.00 66.00 64.13 2cug h PRO 19 Cb 1.16 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cug h PRO 19 CO 0.52 1.14 -0.07 1.88 -0.23 0.00 0.00 178.00 181.24 2cug h TYR 20 N 0.75 0.27 -0.51 1.56 -1.99 -1.87 -1.15 116.97 114.02 2cug h TYR 20 Ca 0.06 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 2cug h TYR 20 Cb 0.98 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.62 2cug h TYR 20 CO 0.06 0.60 0.31 0.00 -0.00 0.00 0.00 178.16 179.14 2cug h ARG 21 N -0.14 0.70 0.47 4.88 3.08 -1.75 -0.01 114.38 121.60 2cug h ARG 21 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2cug h ARG 21 Cb 0.54 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2cug h ARG 21 CO 0.02 0.50 -0.23 0.28 -1.07 0.00 0.00 179.97 179.48 2cug h VAL 22 N 0.69 0.50 -0.04 2.04 2.07 -1.37 -2.65 116.25 117.49 2cug h VAL 22 Ca 0.18 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2cug h VAL 22 Cb -0.02 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2cug h VAL 22 CO -0.04 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.62 2cug h LEU 23 N -0.81 0.00 -1.74 2.57 3.38 -1.15 -3.46 115.31 114.10 2cug h LEU 23 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2cug h LEU 23 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2cug h LEU 23 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2cug n GLY 24 N -1.24 0.48 3.21 0.83 0.00 -0.19 -4.84 105.19 103.44 2cug n GLY 24 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.80 0.32 0.52 1.61 -7.23 -0.20 -5.04 120.40 107.58 2cug s VAL 25 Ca 0.00 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2cug s VAL 25 Cb 0.00 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.69 2cug s VAL 25 CO 0.00 -0.30 0.22 -0.55 -0.31 0.00 0.00 175.10 174.17 2cug s SER 26 N -3.15 4.42 0.51 4.85 0.15 -1.26 -4.34 113.70 114.87 2cug s SER 26 Ca 0.29 -1.39 0.22 0.00 0.70 0.00 0.00 55.95 55.78 2cug s SER 26 Cb 0.07 0.36 1.31 0.00 -1.71 0.00 0.00 66.02 66.05 2cug s SER 26 CO 0.06 -0.95 2.00 0.08 1.20 0.00 0.00 173.24 175.63 2cug h ARG 27 N 1.05 0.09 0.00 5.44 0.11 -2.02 0.22 114.38 119.27 2cug h ARG 27 Ca -0.40 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.66 2cug h ARG 27 Cb 1.30 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2cug h ARG 27 CO 0.65 0.06 -0.07 1.79 0.10 0.00 0.00 179.97 182.50 2cug h THR 28 N 0.10 0.34 -3.02 0.08 1.35 -2.06 -3.42 112.91 106.28 2cug h THR 28 Ca 0.25 -0.40 -0.54 0.00 -0.55 0.00 0.00 66.41 65.16 2cug h THR 28 Cb 0.87 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2cug h THR 28 CO -0.02 0.07 0.74 0.00 -0.25 0.00 0.00 175.52 176.05 2cug s ALA 29 N -4.10 3.52 0.32 6.62 0.00 0.76 -5.03 121.76 123.85 2cug s ALA 29 Ca -0.03 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2cug s ALA 29 Cb 0.12 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2cug s ALA 29 CO 0.54 -0.77 0.27 -1.12 0.00 0.00 0.00 175.76 174.68 2cug s SER 30 N 1.56 5.32 0.36 0.00 0.01 -1.26 -4.85 113.70 114.84 2cug s SER 30 Ca 0.60 -0.45 0.27 0.00 1.31 0.00 0.00 55.95 57.69 2cug s SER 30 Cb -0.29 -1.06 1.21 0.00 0.21 0.00 0.00 66.02 66.09 2cug s SER 30 CO 0.26 -0.28 1.25 0.00 0.41 0.00 0.00 173.24 174.88 2cug n GLN 31 N -1.32 -0.03 0.31 12.44 1.13 -1.26 0.72 117.38 129.37 2cug n GLN 31 Ca -0.03 0.99 -0.15 0.00 -1.94 0.00 0.00 57.00 55.87 2cug n GLN 31 Cb 0.59 -1.98 -0.08 0.00 0.11 0.00 0.00 30.24 28.88 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 1.23 -0.80 -0.80 -1.58 0.00 -2.00 -2.43 119.26 112.88 2cug h ALA 32 Ca 0.71 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.43 2cug h ALA 32 Cb 2.35 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 20.41 2cug h ALA 32 CO -0.34 -0.83 0.53 -0.44 0.00 0.00 0.00 179.25 178.17 2cug h ASP 33 N -1.05 0.89 -0.27 0.00 3.32 -0.07 -2.56 116.42 116.68 2cug h ASP 33 Ca -0.08 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2cug h ASP 33 Cb 0.67 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2cug h ASP 33 CO 0.13 0.64 0.03 0.40 -1.72 0.00 0.00 179.24 178.72 2cug h ILE 34 N 1.05 0.85 0.14 0.35 2.04 -0.95 0.23 117.51 121.22 2cug h ILE 34 Ca 0.30 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.13 2cug h ILE 34 Cb -0.07 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2cug h ILE 34 CO -0.07 0.02 -0.26 0.50 0.00 0.00 0.00 178.15 178.34 2cug h LYS 35 N 0.12 -0.46 -0.18 2.37 3.64 -1.03 1.45 116.57 122.49 2cug h LYS 35 Ca 0.13 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2cug h LYS 35 Cb 0.15 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2cug h LYS 35 CO -0.19 -0.31 0.08 1.57 -2.27 0.00 0.00 179.45 178.33 2cug h LYS 36 N -0.48 0.17 0.00 1.90 2.10 -1.30 -0.68 116.57 118.27 2cug h LYS 36 Ca 0.02 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 2cug h LYS 36 Cb 0.50 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2cug h LYS 36 CO -0.14 0.11 -0.15 0.00 -2.00 0.00 0.00 179.45 177.27 2cug h ALA 37 N 1.09 1.07 0.06 0.07 0.00 -0.27 -2.66 119.26 118.63 2cug h ALA 37 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2cug h ALA 37 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cug h ALA 37 CO -0.06 0.19 -0.03 -0.92 0.00 0.00 0.00 179.25 178.43 2cug h TYR 38 N 0.00 -0.08 -0.77 0.00 3.20 0.29 -3.02 116.97 116.59 2cug h TYR 38 Ca -0.00 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.04 2cug h TYR 38 Cb 0.59 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.76 2cug h TYR 38 CO 0.00 -0.05 0.17 0.87 -1.64 0.00 0.00 178.16 177.52 2cug h LYS 39 N -0.22 0.23 -0.18 1.82 1.57 -1.24 -0.24 116.57 118.31 2cug h LYS 39 Ca -0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2cug h LYS 39 Cb 0.06 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 2cug h LYS 39 CO 0.01 0.16 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.48 2cug h LYS 40 N 0.24 -0.39 -0.80 3.15 3.11 -1.60 0.48 116.57 120.76 2cug h LYS 40 Ca 0.45 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.31 2cug h LYS 40 Cb 0.80 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 32.08 2cug h LYS 40 CO -0.56 -0.26 0.48 -0.07 -2.81 0.00 0.00 179.45 176.24 2cug h LEU 41 N -0.40 0.96 -1.19 5.20 3.38 -1.08 0.11 115.31 122.29 2cug h LEU 41 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2cug h LEU 41 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2cug h LEU 41 CO -0.40 0.74 0.13 0.00 0.09 0.00 0.00 178.44 179.00 2cug h ALA 42 N 1.26 1.35 0.05 1.53 0.00 -0.08 0.17 119.26 123.54 2cug h ALA 42 Ca 0.29 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2cug h ALA 42 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2cug h ALA 42 CO -0.05 0.47 -1.08 0.00 0.00 0.00 0.00 179.25 178.58 2cug h ARG 43 N 0.69 0.51 0.35 0.00 3.08 0.53 -1.04 114.38 118.50 2cug h ARG 43 Ca 0.16 -0.62 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2cug h ARG 43 Cb 0.23 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2cug h ARG 43 CO -0.01 1.24 -0.17 0.93 -1.07 0.00 0.00 179.97 180.89 2cug h GLU 44 N 0.26 -0.45 -0.35 0.04 5.08 -0.50 -3.17 114.58 115.49 2cug h GLU 44 Ca -0.13 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2cug h GLU 44 Cb 1.74 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2cug h GLU 44 CO 0.20 -0.16 0.00 0.91 -1.00 0.00 0.00 179.01 178.96 2cug n TRP 45 N -5.10 0.23 -1.68 4.33 7.02 0.57 -4.80 117.44 118.00 2cug n TRP 45 Ca -0.08 -0.10 -0.43 0.00 -1.02 0.00 0.00 57.50 55.87 2cug n TRP 45 Cb 0.26 -0.05 -0.01 0.00 -2.42 0.00 0.00 31.31 29.09 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 -0.05 2.10 -0.10 -5.99 -0.00 -0.39 -4.16 115.22 106.63 2cug n HIS 46 Ca 0.05 0.58 -0.13 0.00 0.46 0.00 0.00 57.72 58.67 2cug n HIS 46 Cb 0.20 -2.39 -0.04 0.00 -0.12 0.00 0.00 29.99 27.64 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 2.48 0.73 -0.45 1.57 0.13 -1.85 0.57 132.00 135.18 2cug h PRO 47 Ca -0.45 -0.38 0.10 0.00 -0.87 0.00 0.00 66.00 64.40 2cug h PRO 47 Cb 1.29 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2cug h PRO 47 CO 0.62 1.00 0.31 -0.44 -0.23 0.00 0.00 178.00 179.27 2cug h ASP 48 N 0.48 0.15 0.36 1.44 5.19 -1.96 -1.68 116.42 120.40 2cug h ASP 48 Ca 0.05 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.15 2cug h ASP 48 Cb 0.87 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.30 2cug h ASP 48 CO 0.07 0.09 -1.89 1.17 -3.12 0.00 0.00 179.24 175.56 2cug n LYS 49 N -4.45 0.65 -2.95 3.56 4.81 -1.16 -4.87 118.16 113.75 2cug n LYS 49 Ca 0.07 0.22 -0.41 0.00 -0.87 0.00 0.00 58.31 57.32 2cug n LYS 49 Cb 0.41 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.69 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 -5.94 6.97 -0.19 3.14 0.01 0.18 -4.94 114.94 114.18 2cug s ASN 50 Ca -0.06 1.19 0.13 0.00 -0.71 0.00 0.00 52.86 53.40 2cug s ASN 50 Cb 0.07 -2.44 -0.23 0.00 0.41 0.00 0.00 41.25 39.06 2cug s ASN 50 CO 0.83 -0.28 0.08 0.29 -1.51 0.00 0.00 177.10 176.51 2cug n LYS 51 N 4.61 0.68 -1.69 -0.60 4.01 -1.26 -4.75 118.16 119.16 2cug n LYS 51 Ca 0.02 0.07 -0.43 0.00 -0.51 0.00 0.00 58.31 57.46 2cug n LYS 51 Cb 0.50 -1.56 -0.01 0.00 -0.51 0.00 0.00 35.03 33.45 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 -2.93 2.64 -4.64 4.39 9.92 -1.26 -4.88 116.55 119.79 2cug n ASP 52 Ca -0.34 1.20 -0.43 0.00 -0.53 0.00 0.00 54.79 54.69 2cug n ASP 52 Cb 1.11 -1.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.10 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 -1.75 3.89 0.00 -0.24 0.04 -1.26 -3.04 135.00 132.65 2cug s PRO 53 Ca 0.57 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2cug s PRO 53 Cb -0.59 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2cug s PRO 53 CO 0.61 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2cug n GLY 54 N 4.48 2.78 0.28 0.56 0.00 -1.26 -4.95 105.19 107.09 2cug n GLY 54 Ca 0.18 -1.03 0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 0.61 -0.25 4.61 0.00 -1.17 0.16 120.51 124.48 2cug n ALA 55 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 53.44 54.38 2cug n ALA 55 Cb 0.00 -0.75 0.18 0.00 0.00 0.00 0.00 19.45 18.88 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 0.35 -0.80 0.00 4.81 -1.81 -1.82 114.58 115.31 2cug h GLU 56 Ca 0.60 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.93 2cug h GLU 56 Cb 1.41 -0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.57 2cug h GLU 56 CO -0.74 0.23 -0.39 -0.44 -0.73 0.00 0.00 179.01 176.95 2cug h ASP 57 N 0.36 -1.38 -0.35 1.04 5.19 0.12 0.16 116.42 121.55 2cug h ASP 57 Ca 0.40 0.27 0.06 0.00 -0.62 0.00 0.00 57.03 57.15 2cug h ASP 57 Cb 0.64 0.69 -0.06 0.00 0.18 0.00 0.00 39.33 40.79 2cug h ASP 57 CO -0.44 -0.30 -0.01 -0.09 -3.12 0.00 0.00 179.24 175.28 2cug h ARG 58 N -0.09 0.08 -0.86 3.56 9.65 -1.41 -1.48 114.38 123.83 2cug h ARG 58 Ca 0.28 -0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.27 2cug h ARG 58 Cb 0.57 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.05 2cug h ARG 58 CO -0.84 0.05 0.49 0.35 2.80 0.00 0.00 179.97 182.82 2cug h PHE 59 N 0.08 0.88 -0.77 2.20 3.57 -0.66 -0.10 116.94 122.14 2cug h PHE 59 Ca 0.17 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2cug h PHE 59 Cb 0.24 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2cug h PHE 59 CO -0.26 0.32 0.48 0.82 -2.23 0.00 0.00 178.31 177.44 2cug h ILE 60 N 0.77 1.10 0.12 1.41 2.04 -0.02 -1.05 117.51 121.88 2cug h ILE 60 Ca 0.44 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2cug h ILE 60 Cb 0.48 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2cug h ILE 60 CO -0.29 0.17 -0.06 1.56 0.00 0.00 0.00 178.15 179.54 2cug h GLN 61 N 0.93 -0.16 -0.63 2.37 4.20 -0.76 -2.02 115.11 119.03 2cug h GLN 61 Ca 0.31 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.16 2cug h GLN 61 Cb 0.04 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 2cug h GLN 61 CO -0.12 0.24 0.11 0.82 -0.67 0.00 0.00 178.83 179.21 2cug h ILE 62 N -0.61 0.58 -0.22 2.54 2.04 -0.90 0.10 117.51 121.03 2cug h ILE 62 Ca -0.02 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2cug h ILE 62 Cb 0.48 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2cug h ILE 62 CO 0.03 0.04 0.09 -1.28 0.00 0.00 0.00 178.15 177.03 2cug h SER 63 N 0.23 0.31 -0.83 1.72 0.87 -1.21 -2.71 113.55 111.92 2cug h SER 63 Ca 0.34 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2cug h SER 63 Cb 0.54 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2cug h SER 63 CO -0.46 0.39 0.54 0.11 -0.53 0.00 0.00 176.83 176.89 2cug h LYS 64 N 0.21 0.96 -0.33 2.24 1.79 -0.50 0.50 116.57 121.43 2cug h LYS 64 Ca 0.07 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2cug h LYS 64 Cb 0.18 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2cug h LYS 64 CO -0.01 0.63 0.22 0.00 -1.08 0.00 0.00 179.45 179.21 2cug h ALA 65 N 1.53 0.42 -0.25 3.86 0.00 -0.55 -2.95 119.26 121.31 2cug h ALA 65 Ca 0.34 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2cug h ALA 65 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2cug h ALA 65 CO -0.11 -0.12 -0.33 -0.92 0.00 0.00 0.00 179.25 177.78 2cug h TYR 66 N 0.45 0.81 -1.29 0.00 3.20 -1.12 -3.11 116.97 115.91 2cug h TYR 66 Ca 0.12 -0.26 0.44 0.00 3.14 0.00 0.00 58.73 62.16 2cug h TYR 66 Cb -0.05 -0.16 -0.14 0.00 1.54 0.00 0.00 36.73 37.92 2cug h TYR 66 CO -0.05 1.01 0.82 0.93 -1.64 0.00 0.00 178.16 179.23 2cug h GLU 67 N 0.38 0.07 0.12 1.82 4.39 -0.74 0.88 114.58 121.50 2cug h GLU 67 Ca 0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2cug h GLU 67 Cb 0.91 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2cug h GLU 67 CO 0.08 0.05 -0.06 0.82 -1.16 0.00 0.00 179.01 178.74 2cug h ILE 68 N 0.08 0.99 0.59 3.13 2.04 -1.49 -2.98 117.51 119.88 2cug h ILE 68 Ca 0.83 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2cug h ILE 68 Cb 2.56 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 40.32 2cug h ILE 68 CO -0.46 0.26 -0.29 -0.07 0.00 0.00 0.00 178.15 177.59 2cug h LEU 69 N -0.83 -0.68 -1.00 1.44 3.38 -0.63 0.84 115.31 117.84 2cug h LEU 69 Ca -0.02 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.36 2cug h LEU 69 Cb 0.55 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.31 2cug h LEU 69 CO 0.03 -0.34 0.54 0.77 0.09 0.00 0.00 178.44 179.52 2cug h SER 70 N -1.08 0.36 -3.59 -0.43 4.64 0.42 -3.38 113.55 110.49 2cug h SER 70 Ca -0.08 0.24 -0.52 0.00 -0.47 0.00 0.00 61.79 60.96 2cug h SER 70 Cb 0.61 0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 2cug h SER 70 CO 0.13 -0.34 0.25 0.21 -0.87 0.00 0.00 176.83 176.21 2cug s ASN 71 N -4.65 7.47 -0.10 4.97 3.84 -1.12 -4.99 114.94 120.36 2cug s ASN 71 Ca -0.09 1.74 -0.27 0.00 0.21 0.00 0.00 52.86 54.45 2cug s ASN 71 Cb 0.33 -2.54 -0.23 0.00 -0.55 0.00 0.00 41.25 38.26 2cug s ASN 71 CO 0.78 0.16 0.91 -0.08 -2.79 0.00 0.00 177.10 176.07 2cug h GLU 72 N 4.49 -0.01 -0.20 0.43 4.81 -1.81 -2.24 114.58 120.04 2cug h GLU 72 Ca -0.46 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2cug h GLU 72 Cb 1.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2cug h GLU 72 CO 0.68 0.78 -0.20 1.49 -0.73 0.00 0.00 179.01 181.03 2cug h GLU 73 N -0.84 -0.21 0.68 1.92 4.22 -1.94 0.28 114.58 118.69 2cug h GLU 73 Ca -0.00 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 2cug h GLU 73 Cb 0.80 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2cug h GLU 73 CO 0.00 -0.14 -0.32 0.87 -2.18 0.00 0.00 179.01 177.24 2cug h LYS 74 N -0.22 -0.87 -0.18 1.92 1.57 -1.78 -1.87 116.57 115.13 2cug h LYS 74 Ca 0.12 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2cug h LYS 74 Cb 0.40 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 2cug h LYS 74 CO -0.33 -0.58 -0.35 -0.09 -0.57 0.00 0.00 179.45 177.53 2cug h ARG 75 N -1.00 -0.29 -1.09 3.15 9.65 -0.18 0.20 114.38 124.82 2cug h ARG 75 Ca -0.09 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.13 2cug h ARG 75 Cb 0.70 0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.22 2cug h ARG 75 CO 0.15 -0.20 0.67 1.15 2.80 0.00 0.00 179.97 184.55 2cug h THR 76 N -0.31 0.36 -0.04 0.20 2.02 -0.52 0.16 112.91 114.78 2cug h THR 76 Ca 0.03 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2cug h THR 76 Cb 0.40 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2cug h THR 76 CO -0.33 0.06 -0.03 -1.13 0.37 0.00 0.00 175.52 174.46 2cug h ASN 77 N 0.32 0.10 0.81 4.18 -1.24 -0.05 -1.15 115.58 118.55 2cug h ASN 77 Ca 0.70 -0.43 -0.04 0.00 0.71 0.00 0.00 56.30 57.24 2cug h ASN 77 Cb 1.77 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.79 2cug h ASN 77 CO -0.44 0.51 -0.46 0.22 -1.29 0.00 0.00 177.43 175.97 2cug h TYR 78 N -0.31 -1.20 0.04 0.67 3.20 0.20 0.55 116.97 120.11 2cug h TYR 78 Ca 0.01 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2cug h TYR 78 Cb 0.47 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2cug h TYR 78 CO 0.07 -0.70 -0.30 0.22 -1.64 0.00 0.00 178.16 175.82 2cug h ASP 79 N -1.17 -0.87 -0.98 -2.11 3.58 -1.09 -0.71 116.42 113.06 2cug h ASP 79 Ca -0.11 0.11 0.16 0.00 0.42 0.00 0.00 57.03 57.61 2cug h ASP 79 Cb 0.93 0.35 -0.09 0.00 1.72 0.00 0.00 39.33 42.23 2cug h ASP 79 CO 0.14 -0.37 0.62 -0.74 -2.88 0.00 0.00 179.24 176.00 2cug h HIS 80 N -0.47 1.03 0.00 0.28 2.76 -1.17 0.48 115.15 118.06 2cug h HIS 80 Ca 0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2cug h HIS 80 Cb 0.53 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2cug h HIS 80 CO -0.31 0.31 0.00 -0.92 -1.30 0.00 0.00 177.93 175.72 2cug h TYR 81 N 0.81 0.00 -2.77 5.26 3.20 0.13 -3.47 116.97 120.13 2cug h TYR 81 Ca 0.53 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.25 2cug h TYR 81 Cb 0.76 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.08 2cug h TYR 81 CO -0.00 0.00 -0.25 0.41 -1.64 0.00 0.00 178.16 176.68 2cug n GLY 82 N 0.20 0.41 3.66 1.82 0.00 0.17 -3.39 105.19 108.06 2cug n GLY 82 Ca 0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.15 -4.92 -4.83 1.61 7.64 -1.05 -4.92 113.62 106.99 2cug n SER 83 Ca 0.00 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 58.92 2cug n SER 83 Cb 0.52 -4.68 -0.04 0.00 -1.01 0.00 0.00 64.21 59.00 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 -3.56 2.22 0.62 0.23 0.00 -1.22 -4.63 107.32 100.99 2cug s GLY 84 Ca 0.47 0.31 -0.10 0.00 0.00 0.00 0.00 44.72 45.40 2cug s GLY 84 CO 0.76 0.60 0.55 -1.55 0.00 0.00 0.00 173.10 173.46 2cug n PRO 85 N -1.22 -2.10 -4.11 2.90 -0.04 -1.26 -4.94 135.00 124.22 2cug n PRO 85 Ca 0.07 -0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 62.56 2cug n PRO 85 Cb 0.54 -0.82 -0.10 0.00 -0.04 0.00 0.00 33.50 33.07 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 -2.99 0.76 0.07 3.54 1.04 -1.26 -5.07 113.70 109.79 2cug s SER 86 Ca 0.36 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 2cug s SER 86 Cb -0.04 0.14 -0.18 0.00 0.10 0.00 0.00 66.02 66.04 2cug s SER 86 CO 0.27 -0.49 1.60 -1.28 0.98 0.00 0.00 173.24 174.33 2cug h SER 87 N 3.31 -0.56 0.00 7.02 0.87 -2.07 -3.53 113.55 118.59 2cug h SER 87 Ca -0.34 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2cug h SER 87 Cb 1.16 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2cug h SER 87 CO 0.61 -0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.16