#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 0.61 0.00 1.61 4.64 -2.13 -3.40 113.55 114.89 2cug h SER 2 Ca 0.00 -0.81 -0.18 0.00 -0.47 0.00 0.00 61.79 60.33 2cug h SER 2 Cb 0.00 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2cug h SER 2 CO 0.00 1.35 -1.38 -0.24 -0.87 0.00 0.00 176.83 175.69 2cug n SER 3 N -4.10 1.90 -1.41 4.97 2.88 -1.26 -5.10 113.62 111.50 2cug n SER 3 Ca -0.12 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2cug n SER 3 Cb 0.77 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.43 -2.69 3.71 0.46 0.00 -1.26 -4.96 105.19 101.87 2cug n GLY 4 Ca -0.28 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 6.57 0.09 1.61 0.01 -1.26 -4.99 113.70 115.74 2cug s SER 5 Ca 0.00 2.60 -0.12 0.00 1.31 0.00 0.00 55.95 59.74 2cug s SER 5 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 2cug s SER 5 CO 0.00 -0.85 0.46 -0.44 0.41 0.00 0.00 173.24 172.82 2cug s SER 6 N 1.49 6.74 0.00 2.44 0.01 -1.26 -5.04 113.70 118.07 2cug s SER 6 Ca 0.72 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2cug s SER 6 Cb -0.43 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2cug s SER 6 CO 0.32 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2cug n GLY 7 N 1.00 -1.14 3.62 3.44 0.00 -1.26 -5.17 105.19 105.68 2cug n GLY 7 Ca -0.08 0.93 -0.33 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 3.83 0.16 -0.61 1.09 -1.26 -5.12 121.20 119.29 2cug s ILE 8 Ca 0.00 -0.57 -0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2cug s ILE 8 Cb 0.00 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 2cug s ILE 8 CO 0.00 0.50 0.05 -1.48 -0.10 0.00 0.00 174.94 173.91 2cug s LEU 9 N -1.14 1.77 0.01 2.97 0.05 -1.26 -5.16 118.68 115.91 2cug s LEU 9 Ca 0.15 -1.24 -0.01 0.00 0.05 0.00 0.00 54.13 53.09 2cug s LEU 9 Cb -0.11 0.20 -0.04 0.00 -2.05 0.00 0.00 46.19 44.19 2cug s LEU 9 CO 0.05 -0.70 0.13 -1.10 -0.55 0.00 0.00 176.35 174.18 2cug s GLN 10 N -4.03 3.22 0.33 1.48 1.11 -1.26 -5.10 119.66 115.41 2cug s GLN 10 Ca 0.27 -0.44 -0.12 0.00 0.01 0.00 0.00 55.36 55.08 2cug s GLN 10 Cb 0.07 -2.95 -0.08 0.00 -1.01 0.00 0.00 33.01 29.04 2cug s GLN 10 CO 0.05 0.65 0.70 -1.12 0.01 0.00 0.00 175.29 175.57 2cug s SER 11 N -1.94 6.64 -0.26 5.90 0.01 -1.26 -5.08 113.70 117.72 2cug s SER 11 Ca 0.26 1.13 -0.04 0.00 1.31 0.00 0.00 55.95 58.61 2cug s SER 11 Cb -0.12 -2.31 0.14 0.00 0.21 0.00 0.00 66.02 63.94 2cug s SER 11 CO 0.18 -0.24 0.48 -0.22 0.41 0.00 0.00 173.24 173.84 2cug s LEU 12 N -3.27 -0.91 -0.03 2.44 0.20 -1.26 -5.15 118.68 110.69 2cug s LEU 12 Ca 0.51 0.68 0.02 0.00 0.69 0.00 0.00 54.13 56.02 2cug s LEU 12 Cb -0.10 1.58 0.01 0.00 -0.43 0.00 0.00 46.19 47.25 2cug s LEU 12 CO 0.23 -0.27 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.52 2cug s SER 13 N 2.68 1.04 0.12 3.68 0.01 -1.26 -4.95 113.70 115.02 2cug s SER 13 Ca 0.11 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 2cug s SER 13 Cb -0.14 -0.39 -0.12 0.00 0.21 0.00 0.00 66.02 65.57 2cug s SER 13 CO -0.17 0.01 1.28 0.00 0.41 0.00 0.00 173.24 174.76 2cug h ALA 14 N 6.77 0.32 -1.68 1.44 0.00 -1.89 -3.44 119.26 120.77 2cug h ALA 14 Ca -0.35 -0.74 -0.61 0.00 0.00 0.00 0.00 54.91 53.21 2cug h ALA 14 Cb 1.17 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 2cug h ALA 14 CO 0.48 0.84 -0.58 -0.48 0.00 0.00 0.00 179.25 179.52 2cug s LEU 15 N -7.62 2.93 0.18 0.00 2.34 -1.26 -4.92 118.68 110.34 2cug s LEU 15 Ca -0.05 -1.27 -0.25 0.00 0.06 0.00 0.00 54.13 52.62 2cug s LEU 15 Cb 0.09 -1.06 0.05 0.00 -0.56 0.00 0.00 46.19 44.70 2cug s LEU 15 CO 0.87 -0.44 1.49 0.47 -1.06 0.00 0.00 176.35 177.68 2cug n ASP 16 N -1.02 -0.87 -3.77 1.48 9.92 -1.26 -4.62 116.55 116.41 2cug n ASP 16 Ca -0.04 1.71 -0.13 0.00 -0.53 0.00 0.00 54.79 55.80 2cug n ASP 16 Cb 0.66 -0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2cug s PHE 17 N -5.65 -0.23 0.14 1.24 -0.12 -1.26 -5.06 117.98 107.04 2cug s PHE 17 Ca -0.12 0.46 -0.21 0.00 -0.05 0.00 0.00 56.93 57.01 2cug s PHE 17 Cb 0.14 0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.55 2cug s PHE 17 CO 0.63 -0.30 0.67 0.34 -0.05 0.00 0.00 175.22 176.51 2cug s ASP 18 N -0.78 7.16 0.34 1.98 2.15 -1.26 -4.98 116.67 121.27 2cug s ASP 18 Ca -0.09 1.41 0.13 0.00 0.43 0.00 0.00 52.55 54.43 2cug s ASP 18 Cb -0.04 -2.41 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 2cug s ASP 18 CO 0.03 0.19 1.74 1.55 -0.17 0.00 0.00 175.17 178.51 2cug h PRO 19 N 4.18 0.00 0.12 4.34 0.13 -1.98 -2.24 132.00 136.54 2cug h PRO 19 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2cug h PRO 19 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 2cug h PRO 19 CO 0.65 0.46 -1.23 1.88 -0.23 0.00 0.00 178.00 179.53 2cug h TYR 20 N 0.00 0.93 -0.21 1.56 -1.99 -1.92 -2.77 116.97 112.58 2cug h TYR 20 Ca -0.00 -0.59 -0.04 0.00 2.00 0.00 0.00 58.73 60.09 2cug h TYR 20 Cb 0.85 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 2cug h TYR 20 CO 0.00 1.44 -0.04 0.00 -0.00 0.00 0.00 178.16 179.55 2cug h ARG 21 N 0.25 0.40 0.82 4.88 2.47 -1.81 0.36 114.38 121.75 2cug h ARG 21 Ca -0.18 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.35 2cug h ARG 21 Cb 1.91 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 30.21 2cug h ARG 21 CO 0.23 0.64 -0.39 0.28 0.56 0.00 0.00 179.97 181.28 2cug h VAL 22 N 0.13 0.16 -0.67 2.04 2.07 -1.51 -3.07 116.25 115.40 2cug h VAL 22 Ca 0.05 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2cug h VAL 22 Cb 0.48 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2cug h VAL 22 CO 0.02 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.81 2cug h LEU 23 N -1.15 0.90 -0.49 2.57 3.38 -1.56 -3.48 115.31 115.48 2cug h LEU 23 Ca -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2cug h LEU 23 Cb 0.85 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2cug h LEU 23 CO 0.19 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2cug n GLY 24 N -0.98 0.78 3.62 0.83 0.00 0.11 -4.82 105.19 104.74 2cug n GLY 24 Ca 0.06 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.09 3.39 0.53 1.61 -7.23 -0.23 -5.03 120.40 111.36 2cug s VAL 25 Ca 0.00 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 2cug s VAL 25 Cb 0.00 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.27 2cug s VAL 25 CO 0.00 -0.21 0.73 -0.94 -0.31 0.00 0.00 175.10 174.37 2cug s SER 26 N -3.16 5.25 0.49 4.85 1.04 -1.26 -4.66 113.70 116.24 2cug s SER 26 Ca 0.28 -0.63 0.17 0.00 0.48 0.00 0.00 55.95 56.25 2cug s SER 26 Cb -0.08 -0.10 1.18 0.00 0.10 0.00 0.00 66.02 67.12 2cug s SER 26 CO 0.18 -1.17 2.06 0.08 0.98 0.00 0.00 173.24 175.37 2cug h ARG 27 N 0.28 0.00 0.00 4.02 0.11 -2.01 -0.78 114.38 116.01 2cug h ARG 27 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2cug h ARG 27 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2cug h ARG 27 CO 0.43 0.11 -0.18 0.25 0.10 0.00 0.00 179.97 180.68 2cug n THR 28 N -4.29 0.33 -2.16 0.08 -2.24 -1.26 -4.81 114.28 99.93 2cug n THR 28 Ca -0.03 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 2cug n THR 28 Cb 0.19 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2cug n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cug s ALA 29 N -3.08 3.60 0.43 6.98 0.00 -0.30 -5.01 121.76 124.39 2cug s ALA 29 Ca 0.11 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2cug s ALA 29 Cb 0.15 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2cug s ALA 29 CO 0.62 -1.38 0.55 -1.12 0.00 0.00 0.00 175.76 174.43 2cug s SER 30 N 2.97 5.48 0.14 0.00 0.01 -1.26 -4.81 113.70 116.23 2cug s SER 30 Ca 0.67 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.21 2cug s SER 30 Cb -0.28 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.44 2cug s SER 30 CO 0.24 -0.79 1.15 1.67 0.41 0.00 0.00 173.24 175.92 2cug n GLN 31 N -1.82 -0.26 -0.31 12.44 -0.06 -1.26 0.19 117.38 126.30 2cug n GLN 31 Ca 0.08 1.13 0.16 0.00 -2.00 0.00 0.00 57.00 56.37 2cug n GLN 31 Cb 0.60 -1.67 0.34 0.00 -4.06 0.00 0.00 30.24 25.45 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 0.66 1.47 -0.18 1.69 0.00 -2.00 0.27 119.26 121.17 2cug h ALA 32 Ca 0.18 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 2cug h ALA 32 Cb 0.37 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2cug h ALA 32 CO -0.72 -0.48 -0.43 -0.44 0.00 0.00 0.00 179.25 177.19 2cug h ASP 33 N 0.26 0.69 0.91 0.00 3.32 0.17 -3.22 116.42 118.55 2cug h ASP 33 Ca 0.60 -0.57 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2cug h ASP 33 Cb 1.25 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.61 2cug h ASP 33 CO -0.63 1.13 -0.44 0.40 -1.72 0.00 0.00 179.24 177.99 2cug h ILE 34 N 0.28 0.00 -1.30 0.35 2.04 0.15 -1.01 117.51 118.03 2cug h ILE 34 Ca -0.00 -0.00 0.47 0.00 1.00 0.00 0.00 64.86 66.32 2cug h ILE 34 Cb 1.04 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.97 2cug h ILE 34 CO 0.09 0.00 0.81 1.17 0.00 0.00 0.00 178.15 180.22 2cug n LYS 35 N -5.27 -0.04 0.08 2.37 4.81 0.66 0.21 118.16 120.97 2cug n LYS 35 Ca -0.15 1.29 -0.17 0.00 -0.87 0.00 0.00 58.31 58.41 2cug n LYS 35 Cb 0.48 -2.48 -0.09 0.00 0.02 0.00 0.00 35.03 32.96 2cug n LYS 35 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2cug h LYS 36 N 0.00 0.47 -0.14 1.64 3.64 -1.48 -2.61 116.57 118.10 2cug h LYS 36 Ca 0.88 -0.58 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2cug h LYS 36 Cb 2.71 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 34.70 2cug h LYS 36 CO -0.54 1.22 -0.38 0.00 -2.27 0.00 0.00 179.45 177.48 2cug h ALA 37 N 0.57 1.11 0.22 5.00 0.00 0.38 -2.34 119.26 124.19 2cug h ALA 37 Ca -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2cug h ALA 37 Cb 1.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2cug h ALA 37 CO 0.19 0.58 -0.10 -0.92 0.00 0.00 0.00 179.25 179.00 2cug h TYR 38 N 0.25 -0.27 -0.89 0.00 3.20 -0.62 -2.81 116.97 115.83 2cug h TYR 38 Ca 0.03 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.12 2cug h TYR 38 Cb 0.79 0.09 -0.13 0.00 1.54 0.00 0.00 36.73 39.02 2cug h TYR 38 CO 0.02 -0.17 0.36 0.87 -1.64 0.00 0.00 178.16 177.60 2cug h LYS 39 N -0.77 0.33 0.71 1.82 1.57 -1.55 0.22 116.57 118.89 2cug h LYS 39 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2cug h LYS 39 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2cug h LYS 39 CO 0.05 0.22 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.50 2cug h LYS 40 N 0.34 -1.03 -0.97 3.15 1.63 -1.52 0.46 116.57 118.64 2cug h LYS 40 Ca 0.56 0.07 0.11 0.00 -0.85 0.00 0.00 60.65 60.54 2cug h LYS 40 Cb 1.10 0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 32.88 2cug h LYS 40 CO -0.56 -0.68 0.60 -0.07 -3.45 0.00 0.00 179.45 175.29 2cug h LEU 41 N -1.06 0.90 -0.92 5.20 3.38 -1.05 0.24 115.31 122.00 2cug h LEU 41 Ca -0.10 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2cug h LEU 41 Cb 0.85 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2cug h LEU 41 CO 0.10 0.50 -0.24 0.00 0.09 0.00 0.00 178.44 178.89 2cug h ALA 42 N 1.51 1.08 -0.06 1.53 0.00 -0.38 0.39 119.26 123.33 2cug h ALA 42 Ca 0.47 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2cug h ALA 42 Cb 0.41 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2cug h ALA 42 CO -0.25 0.56 -0.50 0.00 0.00 0.00 0.00 179.25 179.07 2cug h ARG 43 N 0.46 0.45 0.17 0.00 3.08 0.15 -1.13 114.38 117.56 2cug h ARG 43 Ca 0.07 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2cug h ARG 43 Cb 0.66 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2cug h ARG 43 CO 0.05 1.04 -0.08 0.93 -1.07 0.00 0.00 179.97 180.84 2cug h GLU 44 N -0.01 -0.22 0.00 0.04 5.08 -0.54 -3.15 114.58 115.77 2cug h GLU 44 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2cug h GLU 44 Cb 1.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2cug h GLU 44 CO 0.10 0.19 0.00 0.91 -1.00 0.00 0.00 179.01 179.21 2cug n TRP 45 N -4.93 0.00 -1.66 4.33 7.02 0.14 -4.81 117.44 117.53 2cug n TRP 45 Ca -0.07 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 55.94 2cug n TRP 45 Cb 0.26 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.62 2.19 0.27 -5.99 -0.00 -0.43 -4.47 115.22 106.17 2cug n HIS 46 Ca 0.05 0.34 0.16 0.00 0.46 0.00 0.00 57.72 58.73 2cug n HIS 46 Cb 0.02 -2.51 0.68 0.00 -0.12 0.00 0.00 29.99 28.06 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 5.36 0.00 -0.39 1.57 0.13 -1.85 -1.68 132.00 135.15 2cug h PRO 47 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2cug h PRO 47 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2cug h PRO 47 CO 0.84 0.04 0.25 0.22 -0.23 0.00 0.00 178.00 179.12 2cug h ASP 48 N 0.00 0.42 0.46 1.44 1.82 -1.95 -3.10 116.42 115.51 2cug h ASP 48 Ca -0.00 -0.01 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 2cug h ASP 48 Cb 0.52 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.38 2cug h ASP 48 CO 0.01 0.30 -1.74 1.17 -1.61 0.00 0.00 179.24 177.37 2cug n LYS 49 N -4.83 0.63 -2.36 0.28 4.81 -1.18 -4.84 118.16 110.66 2cug n LYS 49 Ca 0.00 0.28 -0.43 0.00 -0.87 0.00 0.00 58.31 57.30 2cug n LYS 49 Cb 0.03 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.28 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 -6.06 6.79 -0.19 3.14 0.01 -0.64 -4.88 114.94 113.10 2cug s ASN 50 Ca -0.05 1.58 0.05 0.00 -0.71 0.00 0.00 52.86 53.74 2cug s ASN 50 Cb 0.08 -2.54 -0.21 0.00 0.41 0.00 0.00 41.25 38.99 2cug s ASN 50 CO 0.83 -0.91 0.06 0.29 -1.51 0.00 0.00 177.10 175.85 2cug n LYS 51 N 6.96 0.68 -1.68 -0.60 4.76 -1.26 -4.73 118.16 122.28 2cug n LYS 51 Ca 0.15 0.15 -0.42 0.00 -2.87 0.00 0.00 58.31 55.31 2cug n LYS 51 Cb 0.45 -1.59 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2cug n ASP 52 N -3.16 2.47 -4.64 4.39 9.92 -1.26 -4.88 116.55 119.39 2cug n ASP 52 Ca -0.37 1.18 -0.43 0.00 -0.53 0.00 0.00 54.79 54.65 2cug n ASP 52 Cb 1.05 -1.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.05 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 -1.89 3.89 0.00 -0.24 0.04 -1.26 -3.35 135.00 132.19 2cug s PRO 53 Ca 0.57 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2cug s PRO 53 Cb -0.58 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2cug s PRO 53 CO 0.61 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2cug n GLY 54 N 4.50 3.94 0.58 0.56 0.00 -1.26 -4.95 105.19 108.56 2cug n GLY 54 Ca 0.18 -0.87 0.45 0.00 0.00 0.00 0.00 46.02 45.78 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 1.58 0.22 4.61 0.00 -1.21 0.77 120.51 126.47 2cug n ALA 55 Ca 0.00 0.62 -0.14 0.00 0.00 0.00 0.00 53.44 53.92 2cug n ALA 55 Cb 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.53 -0.80 0.00 4.81 -1.83 -2.90 114.58 113.33 2cug h GLU 56 Ca 0.82 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 60.17 2cug h GLU 56 Cb 3.17 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 32.57 2cug h GLU 56 CO -0.10 -0.24 -0.45 -0.25 -0.73 0.00 0.00 179.01 177.24 2cug n ASP 57 N -5.23 -0.80 0.05 1.04 9.92 0.23 0.01 116.55 121.76 2cug n ASP 57 Ca -0.10 1.41 -0.11 0.00 -0.53 0.00 0.00 54.79 55.46 2cug n ASP 57 Cb 0.28 -0.20 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2cug h ARG 58 N 0.00 -0.36 -0.69 -1.24 9.65 -1.59 -2.31 114.38 117.84 2cug h ARG 58 Ca 0.15 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.19 2cug h ARG 58 Cb 0.34 0.08 -0.13 0.00 -1.39 0.00 0.00 29.97 28.88 2cug h ARG 58 CO -0.75 -0.24 -0.15 0.35 2.80 0.00 0.00 179.97 181.98 2cug h PHE 59 N -0.37 -0.33 -0.73 2.20 3.57 -0.20 0.15 116.94 121.23 2cug h PHE 59 Ca 0.07 0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.79 2cug h PHE 59 Cb 0.47 0.25 -0.11 0.00 2.79 0.00 0.00 35.95 39.35 2cug h PHE 59 CO -0.29 -0.29 0.19 0.82 -2.23 0.00 0.00 178.31 176.51 2cug h ILE 60 N 0.01 0.54 0.55 1.41 2.04 -0.46 -1.55 117.51 120.05 2cug h ILE 60 Ca 0.33 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 2cug h ILE 60 Cb 0.52 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2cug h ILE 60 CO -0.69 0.05 -0.26 1.56 0.00 0.00 0.00 178.15 178.80 2cug h GLN 61 N 0.29 -0.71 -0.99 2.37 1.08 -0.58 -2.14 115.11 114.44 2cug h GLN 61 Ca 0.41 0.05 0.35 0.00 -1.45 0.00 0.00 58.65 58.01 2cug h GLN 61 Cb 0.69 0.16 -0.17 0.00 -0.05 0.00 0.00 27.48 28.11 2cug h GLN 61 CO -0.49 -0.41 0.38 0.82 -0.95 0.00 0.00 178.83 178.18 2cug h ILE 62 N -1.06 0.08 -0.29 2.54 2.04 -0.69 0.84 117.51 120.98 2cug h ILE 62 Ca -0.08 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 2cug h ILE 62 Cb 0.63 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2cug h ILE 62 CO 0.12 0.01 -0.38 -1.28 0.00 0.00 0.00 178.15 176.63 2cug h SER 63 N 0.07 0.83 -0.42 1.72 0.87 -1.24 -2.96 113.55 112.41 2cug h SER 63 Ca 0.74 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2cug h SER 63 Cb 1.78 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2cug h SER 63 CO -0.78 1.17 0.20 0.11 -0.53 0.00 0.00 176.83 176.99 2cug h LYS 64 N 0.51 0.61 -0.48 2.24 1.57 0.12 -0.73 116.57 120.42 2cug h LYS 64 Ca 0.03 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2cug h LYS 64 Cb 0.97 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 2cug h LYS 64 CO 0.09 0.54 0.15 0.00 -0.57 0.00 0.00 179.45 179.66 2cug h ALA 65 N 1.04 0.57 -0.05 3.86 0.00 -0.62 -2.66 119.26 121.41 2cug h ALA 65 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2cug h ALA 65 Cb 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2cug h ALA 65 CO -0.02 -0.25 -0.00 -0.92 0.00 0.00 0.00 179.25 178.06 2cug h TYR 66 N 0.31 0.10 -0.94 0.00 3.20 -1.34 -3.03 116.97 115.27 2cug h TYR 66 Ca 0.23 -0.02 0.39 0.00 3.14 0.00 0.00 58.73 62.47 2cug h TYR 66 Cb 0.26 -0.03 -0.17 0.00 1.54 0.00 0.00 36.73 38.34 2cug h TYR 66 CO -0.18 0.38 0.48 0.39 -1.64 0.00 0.00 178.16 177.59 2cug n GLU 67 N -4.87 -0.06 0.15 1.82 1.02 -0.30 0.15 120.64 118.55 2cug n GLU 67 Ca -0.07 1.30 -0.13 0.00 -0.02 0.00 0.00 57.16 58.25 2cug n GLU 67 Cb 0.19 -2.33 -0.08 0.00 -0.02 0.00 0.00 31.44 29.20 2cug n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2cug h ILE 68 N 0.00 0.66 0.43 -3.67 2.04 -1.40 -3.01 117.51 112.56 2cug h ILE 68 Ca 0.79 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2cug h ILE 68 Cb 2.06 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2cug h ILE 68 CO -0.73 0.13 -0.21 -0.07 0.00 0.00 0.00 178.15 177.27 2cug h LEU 69 N -0.82 -0.49 -0.95 1.44 3.38 -0.31 0.57 115.31 118.14 2cug h LEU 69 Ca -0.04 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.30 2cug h LEU 69 Cb 0.52 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 2cug h LEU 69 CO 0.07 -0.15 0.57 -1.54 0.09 0.00 0.00 178.44 177.47 2cug n SER 70 N -4.64 0.22 -4.79 -0.43 3.41 0.39 -4.22 113.62 103.56 2cug n SER 70 Ca -0.07 1.21 -0.37 0.00 -0.26 0.00 0.00 58.87 59.39 2cug n SER 70 Cb 0.23 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2cug n SER 70 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2cug s ASN 71 N -4.48 7.29 -0.03 4.04 0.01 -1.14 -4.99 114.94 115.65 2cug s ASN 71 Ca -0.07 1.78 -0.21 0.00 -0.71 0.00 0.00 52.86 53.66 2cug s ASN 71 Cb 0.26 -2.56 -0.32 0.00 0.41 0.00 0.00 41.25 39.04 2cug s ASN 71 CO 0.64 -0.07 0.92 1.05 -1.51 0.00 0.00 177.10 178.14 2cug h GLU 72 N 3.15 0.36 0.29 -0.60 4.11 -1.84 -2.70 114.58 117.35 2cug h GLU 72 Ca -0.47 -0.60 -0.01 0.00 0.07 0.00 0.00 59.36 58.35 2cug h GLU 72 Cb 1.19 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2cug h GLU 72 CO 0.65 1.28 -0.14 0.93 0.07 0.00 0.00 179.01 181.80 2cug h GLU 73 N -0.25 -0.38 0.78 1.06 5.08 -1.92 -1.69 114.58 117.26 2cug h GLU 73 Ca -0.16 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2cug h GLU 73 Cb 1.75 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2cug h GLU 73 CO 0.18 -0.16 -0.41 0.87 -1.00 0.00 0.00 179.01 178.49 2cug h LYS 74 N -0.52 -1.05 -0.75 2.33 1.57 -1.76 0.24 116.57 116.63 2cug h LYS 74 Ca -0.04 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2cug h LYS 74 Cb 0.39 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 32.80 2cug h LYS 74 CO 0.07 -0.70 -0.37 -0.09 -0.57 0.00 0.00 179.45 177.78 2cug h ARG 75 N -1.09 -0.10 0.17 3.15 2.43 -0.53 0.13 114.38 118.55 2cug h ARG 75 Ca -0.11 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2cug h ARG 75 Cb 0.85 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2cug h ARG 75 CO 0.15 -0.07 -0.08 1.15 -1.51 0.00 0.00 179.97 179.61 2cug h THR 76 N -0.10 0.85 -0.82 0.20 2.02 -1.23 0.34 112.91 114.16 2cug h THR 76 Ca 0.27 -0.09 0.20 0.00 0.77 0.00 0.00 66.41 67.56 2cug h THR 76 Cb 0.57 0.91 -0.13 0.00 -1.74 0.00 0.00 68.15 67.75 2cug h THR 76 CO -0.80 0.02 0.17 -1.13 0.37 0.00 0.00 175.52 174.15 2cug h ASN 77 N -0.28 -0.08 0.04 4.18 -1.24 0.97 0.44 115.58 119.62 2cug h ASN 77 Ca -0.02 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2cug h ASN 77 Cb 0.21 0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2cug h ASN 77 CO 0.04 -0.13 -0.02 0.22 -1.29 0.00 0.00 177.43 176.25 2cug h TYR 78 N 0.20 -0.05 -0.80 0.67 3.20 -0.79 -3.06 116.97 116.34 2cug h TYR 78 Ca 0.49 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.44 2cug h TYR 78 Cb 0.93 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.11 2cug h TYR 78 CO -0.30 -0.03 -0.56 0.22 -1.64 0.00 0.00 178.16 175.85 2cug h ASP 79 N -0.37 -2.00 -1.01 -2.11 3.58 -0.19 0.56 116.42 114.89 2cug h ASP 79 Ca -0.01 0.30 0.22 0.00 0.42 0.00 0.00 57.03 57.97 2cug h ASP 79 Cb 0.04 0.87 -0.11 0.00 1.72 0.00 0.00 39.33 41.85 2cug h ASP 79 CO 0.01 -0.29 0.61 -0.74 -2.88 0.00 0.00 179.24 175.95 2cug h HIS 80 N -0.13 0.99 0.00 0.28 2.76 -0.28 0.79 115.15 119.55 2cug h HIS 80 Ca 0.15 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2cug h HIS 80 Cb 0.48 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 2cug h HIS 80 CO -0.91 0.14 -0.08 -0.92 -1.30 0.00 0.00 177.93 174.85 2cug h TYR 81 N 0.63 0.00 -3.85 5.26 3.20 0.14 -3.46 116.97 118.89 2cug h TYR 81 Ca 0.61 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 62.16 2cug h TYR 81 Cb 1.12 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2cug h TYR 81 CO -0.00 0.08 -0.43 0.41 -1.64 0.00 0.00 178.16 176.58 2cug n GLY 82 N -0.11 -0.50 0.37 1.82 0.00 0.27 -4.79 105.19 102.26 2cug n GLY 82 Ca -0.00 0.02 0.33 0.00 0.00 0.00 0.00 46.02 46.37 2cug n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cug n SER 83 N -1.98 0.24 0.00 1.61 3.41 -1.26 -4.74 113.62 110.90 2cug n SER 83 Ca -0.16 1.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 2cug n SER 83 Cb 0.62 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2cug n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cug n GLY 84 N -1.37 0.76 3.70 5.00 0.00 -1.26 -4.62 105.19 107.39 2cug n GLY 84 Ca 0.35 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2cug n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cug s PRO 85 N 0.00 0.88 0.13 1.61 0.04 -1.26 -4.35 135.00 132.04 2cug s PRO 85 Ca 0.00 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 2cug s PRO 85 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2cug s PRO 85 CO 0.00 -2.47 1.66 0.66 0.04 0.00 0.00 177.00 176.90 2cug h SER 86 N -1.71 -0.51 -3.43 6.66 4.64 -1.85 -3.40 113.55 113.94 2cug h SER 86 Ca -0.52 0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.27 2cug h SER 86 Cb 1.30 0.23 -0.15 0.00 -0.31 0.00 0.00 62.40 63.47 2cug h SER 86 CO 0.56 -0.22 -0.54 -0.94 -0.87 0.00 0.00 176.83 174.82 2cug s SER 87 N -5.01 5.85 0.00 4.97 1.04 -1.26 -5.09 113.70 114.20 2cug s SER 87 Ca -0.15 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2cug s SER 87 Cb 0.10 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2cug s SER 87 CO 0.67 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.61