#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 1.28 -0.11 1.61 0.15 -1.26 -5.14 113.70 110.23 2cug s SER 2 Ca 0.00 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 2cug s SER 2 Cb 0.00 -0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2cug s SER 2 CO 0.00 -0.03 -0.08 -0.44 1.20 0.00 0.00 173.24 173.88 2cug s SER 3 N 0.90 4.45 0.00 5.45 0.01 -1.26 -5.05 113.70 118.21 2cug s SER 3 Ca -0.11 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2cug s SER 3 Cb -0.15 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2cug s SER 3 CO 0.01 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2cug n GLY 4 N 3.03 3.06 2.90 3.44 0.00 -1.26 -5.12 105.19 111.24 2cug n GLY 4 Ca -0.18 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2cug n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug s SER 5 N 0.00 -0.04 0.07 1.61 0.01 -1.26 -5.16 113.70 108.94 2cug s SER 5 Ca 0.00 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.39 2cug s SER 5 Cb 0.00 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 2cug s SER 5 CO 0.00 -0.05 0.20 -0.55 0.41 0.00 0.00 173.24 173.25 2cug s SER 6 N 0.36 6.24 0.00 2.44 0.15 -1.26 -5.09 113.70 116.53 2cug s SER 6 Ca -0.03 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2cug s SER 6 Cb -0.04 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2cug s SER 6 CO -0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2cug n GLY 7 N 0.20 0.84 3.89 9.45 0.00 -1.26 -5.17 105.19 113.15 2cug n GLY 7 Ca -0.06 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 4.88 0.03 -0.61 -4.36 -1.26 -5.07 121.20 114.80 2cug s ILE 8 Ca 0.00 0.35 -0.19 0.00 -0.26 0.00 0.00 60.65 60.55 2cug s ILE 8 Cb 0.00 -3.78 -0.06 0.00 1.25 0.00 0.00 42.46 39.87 2cug s ILE 8 CO 0.00 -0.59 0.54 -0.76 0.24 0.00 0.00 174.94 174.37 2cug s LEU 9 N -4.09 4.47 -0.04 0.37 1.02 -1.26 -5.02 118.68 114.13 2cug s LEU 9 Ca 0.48 1.15 -0.07 0.00 0.02 0.00 0.00 54.13 55.72 2cug s LEU 9 Cb -0.10 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2cug s LEU 9 CO 0.35 0.21 0.36 -0.61 0.02 0.00 0.00 176.35 176.69 2cug h GLN 10 N 5.04 -0.25 -5.30 1.70 5.75 -2.09 -3.48 115.11 116.49 2cug h GLN 10 Ca -0.48 0.02 -0.63 0.00 -0.15 0.00 0.00 58.65 57.41 2cug h GLN 10 Cb 1.21 0.06 -0.13 0.00 1.07 0.00 0.00 27.48 29.68 2cug h GLN 10 CO 0.66 -0.17 -0.55 0.45 -2.65 0.00 0.00 178.83 176.57 2cug s SER 11 N -4.54 3.68 -0.33 -0.69 0.15 -1.26 -5.12 113.70 105.57 2cug s SER 11 Ca -0.04 -1.55 -0.05 0.00 0.70 0.00 0.00 55.95 55.01 2cug s SER 11 Cb 0.00 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2cug s SER 11 CO 0.11 -0.73 0.09 -0.76 1.20 0.00 0.00 173.24 173.15 2cug s LEU 12 N -3.75 4.28 -0.19 3.45 1.43 -1.26 -4.96 118.68 117.67 2cug s LEU 12 Ca 0.19 -1.23 -0.20 0.00 -1.03 0.00 0.00 54.13 51.87 2cug s LEU 12 Cb 0.05 -1.83 -0.17 0.00 0.03 0.00 0.00 46.19 44.27 2cug s LEU 12 CO 0.10 -0.33 0.19 0.28 0.23 0.00 0.00 176.35 176.82 2cug h SER 13 N 8.16 0.00 -2.84 2.29 0.02 -2.03 -3.48 113.55 115.67 2cug h SER 13 Ca -0.22 -0.46 -0.40 0.00 -0.84 0.00 0.00 61.79 59.87 2cug h SER 13 Cb 1.07 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.83 2cug h SER 13 CO 0.59 1.35 -0.27 0.00 -1.14 0.00 0.00 176.83 177.36 2cug n ALA 14 N -3.39 -3.71 -1.51 3.77 0.00 -1.26 -5.00 120.51 109.41 2cug n ALA 14 Ca -0.27 -1.45 -0.29 0.00 0.00 0.00 0.00 53.44 51.43 2cug n ALA 14 Cb 0.60 -1.71 0.18 0.00 0.00 0.00 0.00 19.45 18.52 2cug n ALA 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2cug s LEU 15 N -5.95 1.81 0.18 0.00 2.34 -1.26 -4.94 118.68 110.86 2cug s LEU 15 Ca 0.64 0.67 -0.24 0.00 0.06 0.00 0.00 54.13 55.26 2cug s LEU 15 Cb -0.18 -2.73 0.08 0.00 -0.56 0.00 0.00 46.19 42.80 2cug s LEU 15 CO 0.61 -3.09 1.56 0.44 -1.06 0.00 0.00 176.35 174.81 2cug h ASP 16 N -1.88 -1.53 -4.33 1.48 5.19 -1.99 -3.41 116.42 109.95 2cug h ASP 16 Ca -0.47 0.27 -0.20 0.00 -0.62 0.00 0.00 57.03 56.01 2cug h ASP 16 Cb 1.29 0.72 -0.25 0.00 0.18 0.00 0.00 39.33 41.28 2cug h ASP 16 CO 0.47 -0.31 -0.68 0.72 -3.12 0.00 0.00 179.24 176.31 2cug s PHE 17 N -5.84 0.10 0.05 4.55 -0.12 -1.26 -5.15 117.98 110.31 2cug s PHE 17 Ca -0.14 -0.20 -0.12 0.00 -0.05 0.00 0.00 56.93 56.43 2cug s PHE 17 Cb 0.15 -0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.40 2cug s PHE 17 CO 0.67 -0.10 0.41 -0.51 -0.05 0.00 0.00 175.22 175.64 2cug s ASP 18 N -0.69 6.72 0.09 1.98 1.11 -1.26 -5.01 116.67 119.61 2cug s ASP 18 Ca -0.08 0.88 -0.16 0.00 0.18 0.00 0.00 52.55 53.38 2cug s ASP 18 Cb -0.05 -2.21 -0.09 0.00 1.07 0.00 0.00 42.92 41.64 2cug s ASP 18 CO -0.00 0.23 1.41 1.55 1.18 0.00 0.00 175.17 179.53 2cug h PRO 19 N 4.08 0.65 -0.71 8.23 0.13 -1.98 -2.49 132.00 139.90 2cug h PRO 19 Ca -0.50 -0.34 -0.07 0.00 -0.87 0.00 0.00 66.00 64.22 2cug h PRO 19 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2cug h PRO 19 CO 0.64 0.95 0.18 1.88 -0.23 0.00 0.00 178.00 181.41 2cug h TYR 20 N 0.38 1.19 -0.37 1.56 -1.99 -1.91 -2.03 116.97 113.79 2cug h TYR 20 Ca 0.04 -0.14 -0.04 0.00 2.00 0.00 0.00 58.73 60.60 2cug h TYR 20 Cb 0.82 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 2cug h TYR 20 CO 0.07 0.96 0.09 0.00 -0.00 0.00 0.00 178.16 179.29 2cug h ARG 21 N 1.08 0.59 0.71 4.88 2.47 -1.82 0.52 114.38 122.81 2cug h ARG 21 Ca 0.22 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2cug h ARG 21 Cb 0.37 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2cug h ARG 21 CO 0.00 0.63 -0.34 0.28 0.56 0.00 0.00 179.97 181.10 2cug h VAL 22 N 0.45 0.30 -0.61 2.04 2.07 -1.28 -3.09 116.25 116.12 2cug h VAL 22 Ca 0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 2cug h VAL 22 Cb 0.30 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2cug h VAL 22 CO 0.00 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.65 2cug h LEU 23 N -0.96 0.95 -0.35 2.57 3.38 -1.38 -3.48 115.31 116.04 2cug h LEU 23 Ca -0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2cug h LEU 23 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2cug h LEU 23 CO 0.16 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.25 2cug n GLY 24 N -0.61 0.63 3.57 0.83 0.00 0.17 -4.85 105.19 104.94 2cug n GLY 24 Ca 0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.64 1.14 0.41 1.61 -7.23 -0.64 -5.04 120.40 109.02 2cug s VAL 25 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2cug s VAL 25 Cb 0.00 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2cug s VAL 25 CO 0.00 0.00 0.06 -0.44 -0.31 0.00 0.00 175.10 174.41 2cug s SER 26 N -3.66 3.12 0.14 4.85 0.01 -1.26 -4.67 113.70 112.24 2cug s SER 26 Ca 0.25 -1.53 -0.31 0.00 1.31 0.00 0.00 55.95 55.67 2cug s SER 26 Cb 0.05 0.20 -0.06 0.00 0.21 0.00 0.00 66.02 66.42 2cug s SER 26 CO 0.13 -0.74 1.55 0.03 0.41 0.00 0.00 173.24 174.62 2cug h ARG 27 N 1.79 -0.32 -0.35 12.44 3.08 -2.02 0.71 114.38 129.71 2cug h ARG 27 Ca -0.40 0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.77 2cug h ARG 27 Cb 1.27 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2cug h ARG 27 CO 0.68 -0.21 0.77 1.79 -1.07 0.00 0.00 179.97 181.92 2cug h THR 28 N -0.33 0.08 -2.90 2.04 1.35 -2.07 -3.38 112.91 107.70 2cug h THR 28 Ca 0.11 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.40 2cug h THR 28 Cb 0.58 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.27 2cug h THR 28 CO -0.64 0.00 1.02 0.00 -0.25 0.00 0.00 175.52 175.65 2cug s ALA 29 N -4.27 3.44 0.49 6.62 0.00 0.25 -4.98 121.76 123.30 2cug s ALA 29 Ca -0.02 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2cug s ALA 29 Cb 0.09 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2cug s ALA 29 CO 0.31 -1.64 0.45 -1.12 0.00 0.00 0.00 175.76 173.76 2cug s SER 30 N 3.12 4.90 0.25 0.00 0.01 -1.26 -4.77 113.70 115.95 2cug s SER 30 Ca 0.63 -0.94 0.10 0.00 1.31 0.00 0.00 55.95 57.04 2cug s SER 30 Cb -0.22 -0.09 0.82 0.00 0.21 0.00 0.00 66.02 66.73 2cug s SER 30 CO 0.24 -0.92 1.15 0.00 0.41 0.00 0.00 173.24 174.12 2cug n GLN 31 N -1.73 -0.05 0.30 12.44 1.13 -1.26 -0.07 117.38 128.14 2cug n GLN 31 Ca 0.03 1.04 -0.12 0.00 -1.94 0.00 0.00 57.00 56.02 2cug n GLN 31 Cb 0.63 -1.78 -0.06 0.00 0.11 0.00 0.00 30.24 29.14 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 1.46 -1.08 -0.66 -1.58 0.00 -1.99 -1.21 119.26 114.19 2cug h ALA 32 Ca 0.55 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.41 2cug h ALA 32 Cb 1.35 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 2cug h ALA 32 CO -0.61 -1.03 0.22 -0.44 0.00 0.00 0.00 179.25 177.39 2cug h ASP 33 N -0.85 0.18 0.29 0.00 3.32 -0.84 -2.36 116.42 116.17 2cug h ASP 33 Ca -0.08 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2cug h ASP 33 Cb 0.59 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2cug h ASP 33 CO 0.13 0.08 -0.39 0.40 -1.72 0.00 0.00 179.24 177.74 2cug h ILE 34 N 0.38 0.20 -0.39 0.35 2.04 -0.62 -1.53 117.51 117.93 2cug h ILE 34 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.25 2cug h ILE 34 Cb 0.50 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2cug h ILE 34 CO -0.38 0.00 -0.38 0.50 0.00 0.00 0.00 178.15 177.89 2cug h LYS 35 N -0.74 -0.19 -1.00 2.37 3.64 -0.69 0.45 116.57 120.41 2cug h LYS 35 Ca -0.01 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.64 2cug h LYS 35 Cb 0.70 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 2cug h LYS 35 CO -0.12 -0.12 0.68 0.87 -2.27 0.00 0.00 179.45 178.48 2cug h LYS 36 N -0.19 0.22 -0.03 1.90 1.57 -1.38 -0.09 116.57 118.57 2cug h LYS 36 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2cug h LYS 36 Cb 0.37 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2cug h LYS 36 CO -0.47 0.14 -0.01 0.00 -0.57 0.00 0.00 179.45 178.55 2cug h ALA 37 N 1.56 0.04 0.66 3.86 0.00 0.85 -3.17 119.26 123.07 2cug h ALA 37 Ca 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2cug h ALA 37 Cb 1.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2cug h ALA 37 CO -0.14 -0.26 -0.51 -0.92 0.00 0.00 0.00 179.25 177.42 2cug h TYR 38 N -0.31 -1.38 -0.82 0.00 3.20 0.96 -2.61 116.97 116.01 2cug h TYR 38 Ca 0.01 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.04 2cug h TYR 38 Cb 0.39 0.51 -0.16 0.00 1.54 0.00 0.00 36.73 39.02 2cug h TYR 38 CO 0.05 -0.71 -0.21 1.63 -1.64 0.00 0.00 178.16 177.28 2cug n LYS 39 N -5.60 -0.08 0.30 1.82 4.01 -0.80 0.17 118.16 117.99 2cug n LYS 39 Ca -0.14 1.29 -0.17 0.00 -0.51 0.00 0.00 58.31 58.78 2cug n LYS 39 Cb 0.49 -1.92 -0.09 0.00 -0.51 0.00 0.00 35.03 33.00 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 -0.87 0.61 1.97 3.64 -1.46 0.36 116.57 120.83 2cug h LYS 40 Ca 0.39 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 2cug h LYS 40 Cb 0.60 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2cug h LYS 40 CO -0.85 -0.58 -0.46 -0.07 -2.27 0.00 0.00 179.45 175.22 2cug h LEU 41 N -0.91 -1.21 -1.54 5.20 3.38 -0.04 0.32 115.31 120.51 2cug h LEU 41 Ca -0.06 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.18 2cug h LEU 41 Cb 0.77 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2cug h LEU 41 CO 0.00 -0.67 0.57 0.00 0.09 0.00 0.00 178.44 178.43 2cug h ALA 42 N -0.86 2.19 -0.12 1.53 0.00 -0.26 0.35 119.26 122.10 2cug h ALA 42 Ca -0.08 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2cug h ALA 42 Cb 0.87 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2cug h ALA 42 CO 0.02 -0.44 -0.50 0.00 0.00 0.00 0.00 179.25 178.33 2cug h ARG 43 N 0.40 0.55 0.47 0.00 3.08 0.37 -0.44 114.38 118.81 2cug h ARG 43 Ca 0.44 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2cug h ARG 43 Cb 1.07 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2cug h ARG 43 CO -0.15 1.06 -0.23 0.93 -1.07 0.00 0.00 179.97 180.51 2cug h GLU 44 N 0.16 -0.61 -0.06 0.04 5.08 0.11 -3.07 114.58 116.23 2cug h GLU 44 Ca -0.03 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2cug h GLU 44 Cb 1.14 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2cug h GLU 44 CO 0.10 -0.34 0.00 0.91 -1.00 0.00 0.00 179.01 178.69 2cug n TRP 45 N -5.21 0.00 -1.69 4.33 7.02 0.11 -4.78 117.44 117.22 2cug n TRP 45 Ca -0.09 0.00 -0.49 0.00 -1.02 0.00 0.00 57.50 55.90 2cug n TRP 45 Cb 0.29 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.12 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 -0.47 2.31 0.98 -5.99 -0.00 -0.17 -4.34 115.22 107.54 2cug n HIS 46 Ca 0.00 0.04 0.07 0.00 0.46 0.00 0.00 57.72 58.29 2cug n HIS 46 Cb 0.01 -2.65 0.42 0.00 -0.12 0.00 0.00 29.99 27.66 2cug n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2cug n PRO 47 N 6.55 0.49 0.00 1.57 -0.04 -1.26 -1.54 135.00 140.77 2cug n PRO 47 Ca 0.23 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 2cug n PRO 47 Cb 0.28 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 2cug n PRO 47 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2cug h ASP 48 N 0.00 0.23 0.04 3.54 3.58 -1.94 -3.39 116.42 118.48 2cug h ASP 48 Ca 0.00 -0.48 -0.36 0.00 0.42 0.00 0.00 57.03 56.61 2cug h ASP 48 Cb 0.00 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 40.91 2cug h ASP 48 CO 0.00 1.42 -2.33 1.17 -2.88 0.00 0.00 179.24 176.62 2cug n LYS 49 N -3.29 0.69 -2.14 0.28 4.81 -1.04 -4.94 118.16 112.52 2cug n LYS 49 Ca -0.23 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 56.81 2cug n LYS 49 Cb 1.05 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 34.53 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 -5.53 6.81 -0.24 3.14 0.01 -0.59 -4.94 114.94 113.60 2cug s ASN 50 Ca -0.10 2.48 -0.02 0.00 -0.71 0.00 0.00 52.86 54.51 2cug s ASN 50 Cb 0.06 -2.61 -0.18 0.00 0.41 0.00 0.00 41.25 38.93 2cug s ASN 50 CO 0.83 -0.60 -0.13 0.29 -1.51 0.00 0.00 177.10 175.98 2cug n LYS 51 N 2.76 0.66 -1.65 -0.60 4.01 -1.26 -4.86 118.16 117.22 2cug n LYS 51 Ca 0.07 0.20 -0.46 0.00 -0.51 0.00 0.00 58.31 57.61 2cug n LYS 51 Cb 0.42 -1.56 -0.04 0.00 -0.51 0.00 0.00 35.03 33.35 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 -3.47 2.54 -4.62 4.39 8.00 -1.26 -4.87 116.55 117.25 2cug n ASP 52 Ca -0.44 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.75 2cug n ASP 52 Cb 0.98 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 2cug n ASP 52 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cug s PRO 53 N 0.06 3.69 0.00 -0.24 0.04 -1.26 -3.18 135.00 134.12 2cug s PRO 53 Ca 0.74 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2cug s PRO 53 Cb -0.72 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 29.76 2cug s PRO 53 CO 0.46 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2cug n GLY 54 N 4.84 3.31 0.27 0.56 0.00 -1.26 -4.98 105.19 107.93 2cug n GLY 54 Ca 0.19 -0.67 0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 0.85 -0.14 4.61 0.00 -1.19 0.14 120.51 124.78 2cug n ALA 55 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 53.44 54.27 2cug n ALA 55 Cb 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 0.20 -0.70 0.00 4.81 -1.85 -2.44 114.58 114.61 2cug h GLU 56 Ca 0.71 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 60.00 2cug h GLU 56 Cb 1.85 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 31.08 2cug h GLU 56 CO -0.66 0.13 -0.55 0.22 -0.73 0.00 0.00 179.01 177.42 2cug h ASP 57 N 0.21 -1.95 -0.35 1.04 3.58 0.92 0.36 116.42 120.23 2cug h ASP 57 Ca 0.22 0.28 0.06 0.00 0.42 0.00 0.00 57.03 58.01 2cug h ASP 57 Cb 0.28 0.84 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 2cug h ASP 57 CO -0.30 -0.32 0.02 -0.09 -2.88 0.00 0.00 179.24 175.68 2cug h ARG 58 N -0.19 0.12 -0.56 0.28 9.65 -1.54 -2.26 114.38 119.88 2cug h ARG 58 Ca 0.13 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2cug h ARG 58 Cb 0.51 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.96 2cug h ARG 58 CO -0.77 0.08 -0.12 0.35 2.80 0.00 0.00 179.97 182.31 2cug h PHE 59 N 0.13 -0.26 -0.84 2.20 3.57 -0.54 0.07 116.94 121.27 2cug h PHE 59 Ca 0.17 0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.92 2cug h PHE 59 Cb 0.22 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.04 2cug h PHE 59 CO -0.23 -0.23 0.28 0.82 -2.23 0.00 0.00 178.31 176.73 2cug h ILE 60 N 0.02 0.44 0.38 1.41 2.04 -0.45 -1.00 117.51 120.35 2cug h ILE 60 Ca 0.27 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2cug h ILE 60 Cb 0.42 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2cug h ILE 60 CO -0.56 0.06 -0.18 1.56 0.00 0.00 0.00 178.15 179.02 2cug h GLN 61 N 0.31 -0.50 -0.62 2.37 4.20 -0.92 -1.12 115.11 118.84 2cug h GLN 61 Ca 0.51 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.38 2cug h GLN 61 Cb 0.96 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.74 2cug h GLN 61 CO -0.56 -0.31 -0.12 0.82 -0.67 0.00 0.00 178.83 177.99 2cug h ILE 62 N -0.56 0.40 -0.07 2.54 2.04 -0.80 0.23 117.51 121.29 2cug h ILE 62 Ca -0.05 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2cug h ILE 62 Cb 0.42 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2cug h ILE 62 CO 0.09 0.00 0.04 -1.28 0.00 0.00 0.00 178.15 177.00 2cug h SER 63 N 0.02 0.09 -1.00 1.72 0.87 -1.20 -1.30 113.55 112.75 2cug h SER 63 Ca 0.30 -0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.88 2cug h SER 63 Cb 0.47 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2cug h SER 63 CO -0.62 0.12 0.64 0.11 -0.53 0.00 0.00 176.83 176.56 2cug h LYS 64 N 0.04 1.10 0.01 2.24 1.79 0.06 0.15 116.57 121.97 2cug h LYS 64 Ca 0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2cug h LYS 64 Cb 0.05 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 2cug h LYS 64 CO -0.00 0.73 -0.01 0.00 -1.08 0.00 0.00 179.45 179.09 2cug h ALA 65 N 1.46 -0.02 -0.17 3.86 0.00 -0.26 -3.19 119.26 120.94 2cug h ALA 65 Ca 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2cug h ALA 65 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2cug h ALA 65 CO -0.19 -0.40 0.08 -0.92 0.00 0.00 0.00 179.25 177.83 2cug h TYR 66 N -0.24 0.24 -0.92 0.00 3.20 -0.81 -2.85 116.97 115.59 2cug h TYR 66 Ca -0.00 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.17 2cug h TYR 66 Cb 0.23 -0.07 -0.17 0.00 1.54 0.00 0.00 36.73 38.26 2cug h TYR 66 CO 0.00 0.26 0.24 0.39 -1.64 0.00 0.00 178.16 177.40 2cug n GLU 67 N -4.90 -0.07 0.06 1.82 -0.58 0.48 0.76 120.64 118.22 2cug n GLU 67 Ca -0.04 1.33 -0.11 0.00 -0.42 0.00 0.00 57.16 57.91 2cug n GLU 67 Cb 0.09 -2.23 -0.05 0.00 -0.57 0.00 0.00 31.44 28.67 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 0.72 0.22 -3.67 2.04 -1.51 -1.89 117.51 113.42 2cug h ILE 68 Ca 0.66 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.51 2cug h ILE 68 Cb 1.57 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2cug h ILE 68 CO -0.79 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.18 2cug h LEU 69 N -0.20 -0.25 -0.83 1.44 3.38 0.23 0.24 115.31 119.31 2cug h LEU 69 Ca 0.03 -0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.25 2cug h LEU 69 Cb 0.24 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.90 2cug h LEU 69 CO -0.10 0.23 0.18 -0.24 0.09 0.00 0.00 178.44 178.60 2cug n SER 70 N -4.97 0.05 -4.66 -0.43 2.88 0.23 -4.04 113.62 102.67 2cug n SER 70 Ca -0.04 1.40 -0.43 0.00 -1.33 0.00 0.00 58.87 58.48 2cug n SER 70 Cb 0.13 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 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 -4.85 6.94 0.21 -3.46 -0.87 -0.71 -4.92 114.94 107.27 2cug s ASN 71 Ca -0.10 1.76 -0.09 0.00 -1.57 0.00 0.00 52.86 52.86 2cug s ASN 71 Cb 0.26 -2.54 0.25 0.00 -0.02 0.00 0.00 41.25 39.20 2cug s ASN 71 CO 0.65 -0.75 1.80 -0.33 -2.57 0.00 0.00 177.10 175.90 2cug h GLU 72 N 8.18 0.63 0.56 -0.60 5.08 -1.86 0.25 114.58 126.82 2cug h GLU 72 Ca -0.29 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2cug h GLU 72 Cb 1.12 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2cug h GLU 72 CO 0.96 0.42 -0.27 0.93 -1.00 0.00 0.00 179.01 180.04 2cug h GLU 73 N 0.65 -0.72 -0.79 2.33 5.08 -1.90 -1.92 114.58 117.30 2cug h GLU 73 Ca 0.30 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.88 2cug h GLU 73 Cb 0.22 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 2cug h GLU 73 CO -0.20 -0.48 0.30 0.87 -1.00 0.00 0.00 179.01 178.50 2cug h LYS 74 N -1.04 0.39 0.69 2.33 1.57 -1.74 -2.18 116.57 116.59 2cug h LYS 74 Ca -0.08 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2cug h LYS 74 Cb 0.58 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2cug h LYS 74 CO 0.13 0.26 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.75 2cug h ARG 75 N 0.40 -1.00 -0.72 3.15 2.43 0.30 -3.07 114.38 115.87 2cug h ARG 75 Ca 0.45 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.76 2cug h ARG 75 Cb 0.75 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 2cug h ARG 75 CO -0.46 -0.67 -0.55 1.15 -1.51 0.00 0.00 179.97 177.93 2cug h THR 76 N -1.04 0.00 -0.83 0.20 2.02 -0.82 0.34 112.91 112.77 2cug h THR 76 Ca -0.09 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 2cug h THR 76 Cb 0.83 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.09 2cug h THR 76 CO 0.10 0.00 -0.25 0.59 0.37 0.00 0.00 175.52 176.33 2cug n ASN 77 N -5.19 -0.39 0.15 4.18 3.02 -0.87 -0.13 115.26 116.04 2cug n ASN 77 Ca -0.00 1.44 -0.16 0.00 -0.03 0.00 0.00 54.58 55.82 2cug n ASN 77 Cb 0.28 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.96 2cug n ASN 77 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2cug h TYR 78 N 0.00 -1.42 -0.59 3.10 5.03 -0.84 -1.66 116.97 120.60 2cug h TYR 78 Ca 0.36 0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.82 2cug h TYR 78 Cb 0.57 0.59 -0.09 0.00 1.55 0.00 0.00 36.73 39.35 2cug h TYR 78 CO -0.67 -0.60 0.08 -0.44 -1.32 0.00 0.00 178.16 175.21 2cug h ASP 79 N -0.79 -0.10 -0.72 -2.11 5.19 -0.30 -0.29 116.42 117.31 2cug h ASP 79 Ca -0.01 0.12 0.14 0.00 -0.62 0.00 0.00 57.03 56.66 2cug h ASP 79 Cb 0.77 0.19 -0.09 0.00 0.18 0.00 0.00 39.33 40.38 2cug h ASP 79 CO -0.23 -0.04 0.25 0.45 -3.12 0.00 0.00 179.24 176.56 2cug h HIS 80 N 0.20 0.42 0.00 4.55 3.86 -0.46 0.29 115.15 124.01 2cug h HIS 80 Ca 0.31 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 2cug h HIS 80 Cb 0.48 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 2cug h HIS 80 CO -0.29 0.03 -0.12 1.88 0.86 0.00 0.00 177.93 180.29 2cug h TYR 81 N 0.39 0.00 -4.60 2.45 -1.99 -0.21 -3.47 116.97 109.54 2cug h TYR 81 Ca 0.39 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.82 2cug h TYR 81 Cb 0.61 0.00 0.10 0.00 2.00 0.00 0.00 36.73 39.44 2cug h TYR 81 CO -0.19 0.12 -0.52 0.41 -0.00 0.00 0.00 178.16 177.98 2cug n GLY 82 N 0.33 -0.21 3.78 3.88 0.00 0.10 -2.64 105.19 110.43 2cug n GLY 82 Ca 0.01 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2cug n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cug n SER 83 N -1.93 -4.57 -3.45 1.61 2.88 -1.24 -4.95 113.62 101.97 2cug n SER 83 Ca -0.00 -0.72 -0.07 0.00 -1.33 0.00 0.00 58.87 56.75 2cug n SER 83 Cb 0.55 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.74 2cug n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cug s GLY 84 N -3.52 0.09 -1.03 0.46 0.00 -1.08 -5.01 107.32 97.23 2cug s GLY 84 Ca 0.52 -0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.55 2cug s GLY 84 CO 0.80 -0.02 1.94 2.56 0.00 0.00 0.00 173.10 178.38 2cug s PRO 85 N -3.12 2.53 -0.02 2.90 0.04 -1.26 -4.79 135.00 131.27 2cug s PRO 85 Ca 0.13 -0.70 -0.15 0.00 0.04 0.00 0.00 61.00 60.32 2cug s PRO 85 Cb -0.05 -5.15 -0.05 0.00 0.04 0.00 0.00 34.50 29.29 2cug s PRO 85 CO 0.08 -3.66 0.41 0.45 0.04 0.00 0.00 177.00 174.32 2cug s SER 86 N 7.31 6.78 0.08 6.66 0.15 -1.26 -5.01 113.70 128.40 2cug s SER 86 Ca 0.69 0.92 -0.34 0.00 0.70 0.00 0.00 55.95 57.92 2cug s SER 86 Cb -0.04 -2.25 -0.17 0.00 -1.71 0.00 0.00 66.02 61.85 2cug s SER 86 CO 0.06 0.27 1.53 0.28 1.20 0.00 0.00 173.24 176.57 2cug h SER 87 N 5.08 -1.30 0.00 5.45 0.02 -1.96 -3.49 113.55 117.34 2cug h SER 87 Ca -0.50 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2cug h SER 87 Cb 1.21 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2cug h SER 87 CO 0.64 -0.65 0.00 0.61 -1.14 0.00 0.00 176.83 176.29