#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 -0.28 1.61 0.01 -1.26 -5.07 113.70 115.18 2cug s SER 2 Ca 0.00 0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 2cug s SER 2 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2cug s SER 2 CO 0.00 0.17 0.18 -0.44 0.41 0.00 0.00 173.24 173.55 2cug s SER 3 N 0.09 5.88 -0.33 2.44 0.01 -1.26 -4.91 113.70 115.63 2cug s SER 3 Ca 0.17 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2cug s SER 3 Cb -0.13 -2.09 0.16 0.00 0.21 0.00 0.00 66.02 64.16 2cug s SER 3 CO 0.05 -0.07 1.16 0.61 0.41 0.00 0.00 173.24 175.40 2cug n GLY 4 N 5.04 -0.61 3.63 3.44 0.00 -1.26 -5.13 105.19 110.30 2cug n GLY 4 Ca -0.14 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.33 6.39 0.15 1.61 0.01 -1.26 -5.05 113.70 115.22 2cug s SER 5 Ca 0.09 0.46 -0.12 0.00 1.31 0.00 0.00 55.95 57.69 2cug s SER 5 Cb 0.15 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 64.14 2cug s SER 5 CO -0.06 -0.20 0.35 -0.94 0.41 0.00 0.00 173.24 172.80 2cug s SER 6 N 1.43 -0.07 0.00 2.44 1.04 -1.26 -5.16 113.70 112.12 2cug s SER 6 Ca 0.19 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2cug s SER 6 Cb -0.15 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2cug s SER 6 CO 0.09 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2cug n GLY 7 N -0.22 2.69 3.58 7.32 0.00 -1.26 -5.14 105.19 112.15 2cug n GLY 7 Ca -0.11 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 4.72 0.14 -0.61 1.01 -1.26 -5.10 121.20 120.10 2cug s ILE 8 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.71 2cug s ILE 8 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2cug s ILE 8 CO 0.00 0.40 -0.27 -0.76 0.00 0.00 0.00 174.94 174.32 2cug s LEU 9 N 0.87 2.33 0.38 2.97 2.01 -1.26 -4.60 118.68 121.39 2cug s LEU 9 Ca 0.04 -0.76 -0.27 0.00 0.01 0.00 0.00 54.13 53.15 2cug s LEU 9 Cb -0.14 -1.21 -0.10 0.00 0.01 0.00 0.00 46.19 44.76 2cug s LEU 9 CO 0.03 0.17 1.37 -1.10 1.01 0.00 0.00 176.35 177.83 2cug s GLN 10 N -2.13 4.09 -0.14 1.70 -0.21 -1.26 -4.96 119.66 116.75 2cug s GLN 10 Ca 0.15 2.32 -0.18 0.00 0.02 0.00 0.00 55.36 57.67 2cug s GLN 10 Cb -0.10 -2.90 -0.25 0.00 1.00 0.00 0.00 33.01 30.77 2cug s GLN 10 CO 0.06 -0.45 0.46 0.66 -2.12 0.00 0.00 175.29 173.90 2cug h SER 11 N 2.93 0.23 0.00 5.90 4.64 -1.97 -3.35 113.55 121.93 2cug h SER 11 Ca -0.50 -0.77 -0.04 0.00 -0.47 0.00 0.00 61.79 60.01 2cug h SER 11 Cb 1.24 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2cug h SER 11 CO 0.64 1.54 -0.88 0.18 -0.87 0.00 0.00 176.83 177.44 2cug n LEU 12 N -4.10 1.88 -0.37 5.97 4.32 -1.26 -4.56 117.00 118.88 2cug n LEU 12 Ca -0.26 0.47 -0.08 0.00 -0.02 0.00 0.00 56.01 56.12 2cug n LEU 12 Cb 0.81 -0.81 -0.05 0.00 -1.62 0.00 0.00 43.42 41.74 2cug n LEU 12 CO 0.34 -0.29 0.52 -1.28 -1.22 0.00 0.00 177.39 175.46 2cug h SER 13 N -1.00 -1.84 -3.88 -1.43 0.87 -1.99 -3.40 113.55 100.87 2cug h SER 13 Ca -0.06 0.31 -0.49 0.00 -1.23 0.00 0.00 61.79 60.33 2cug h SER 13 Cb 0.83 0.85 0.20 0.00 -0.44 0.00 0.00 62.40 63.84 2cug h SER 13 CO -0.03 -0.27 0.15 0.00 -0.53 0.00 0.00 176.83 176.15 2cug s ALA 14 N -5.69 0.78 0.92 6.23 0.00 -1.26 -5.03 121.76 117.71 2cug s ALA 14 Ca -0.13 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 2cug s ALA 14 Cb 0.14 -3.35 0.19 0.00 0.00 0.00 0.00 23.12 20.10 2cug s ALA 14 CO 0.65 -3.10 1.26 -0.48 0.00 0.00 0.00 175.76 174.09 2cug s LEU 15 N -6.78 2.77 0.01 0.00 0.05 -1.26 -4.89 118.68 108.58 2cug s LEU 15 Ca 0.67 0.12 0.25 0.00 0.05 0.00 0.00 54.13 55.22 2cug s LEU 15 Cb -0.23 -2.21 0.47 0.00 -2.05 0.00 0.00 46.19 42.17 2cug s LEU 15 CO 0.60 -2.58 1.39 -0.67 -0.55 0.00 0.00 176.35 174.54 2cug n ASP 16 N -3.59 0.52 -3.66 1.48 -0.08 -1.26 -4.89 116.55 105.08 2cug n ASP 16 Ca 0.15 -0.26 -0.13 0.00 -1.51 0.00 0.00 54.79 53.05 2cug n ASP 16 Cb 0.60 0.28 -0.08 0.00 2.34 0.00 0.00 41.12 44.26 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2cug s PHE 17 N -3.01 -0.75 0.05 -0.67 -0.12 -1.26 -5.16 117.98 107.06 2cug s PHE 17 Ca 0.11 1.76 -0.12 0.00 -0.05 0.00 0.00 56.93 58.62 2cug s PHE 17 Cb 0.17 0.29 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2cug s PHE 17 CO 0.71 -0.36 0.41 -0.51 -0.05 0.00 0.00 175.22 175.42 2cug s ASP 18 N 0.56 6.72 0.05 1.98 1.01 -1.26 -5.01 116.67 120.72 2cug s ASP 18 Ca -0.02 0.88 -0.19 0.00 0.71 0.00 0.00 52.55 53.93 2cug s ASP 18 Cb -0.05 -2.22 -0.13 0.00 1.01 0.00 0.00 42.92 41.53 2cug s ASP 18 CO -0.02 0.24 1.36 1.55 0.21 0.00 0.00 175.17 178.50 2cug h PRO 19 N 4.14 0.42 -0.64 8.23 0.13 -1.96 -2.01 132.00 140.31 2cug h PRO 19 Ca -0.50 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 2cug h PRO 19 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2cug h PRO 19 CO 0.64 0.79 0.32 1.88 -0.23 0.00 0.00 178.00 181.41 2cug h TYR 20 N 0.07 0.89 -0.22 1.56 -1.99 -1.87 -1.60 116.97 113.81 2cug h TYR 20 Ca 0.03 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 2cug h TYR 20 Cb 0.72 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2cug h TYR 20 CO 0.08 0.64 -0.31 0.00 -0.00 0.00 0.00 178.16 178.57 2cug h ARG 21 N 0.90 0.60 0.58 4.88 3.08 -1.78 0.09 114.38 122.74 2cug h ARG 21 Ca 0.23 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2cug h ARG 21 Cb 0.07 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2cug h ARG 21 CO -0.03 0.96 -0.30 0.28 -1.07 0.00 0.00 179.97 179.80 2cug h VAL 22 N 0.29 0.38 -0.25 2.04 2.07 -1.04 -2.78 116.25 116.96 2cug h VAL 22 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2cug h VAL 22 Cb 0.89 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2cug h VAL 22 CO 0.07 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.56 2cug h LEU 23 N -0.82 0.35 -0.83 2.57 3.38 -1.38 -3.47 115.31 115.11 2cug h LEU 23 Ca -0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2cug h LEU 23 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2cug h LEU 23 CO 0.11 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2cug n GLY 24 N -0.96 0.62 3.33 0.83 0.00 -0.29 -4.91 105.19 103.80 2cug n GLY 24 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.12 1.02 0.53 1.61 -7.23 -0.14 -5.03 120.40 109.03 2cug s VAL 25 Ca 0.00 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2cug s VAL 25 Cb 0.00 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2cug s VAL 25 CO 0.00 -0.33 0.36 -0.55 -0.31 0.00 0.00 175.10 174.27 2cug s SER 26 N -3.30 4.59 0.49 4.85 0.15 -1.26 -4.52 113.70 114.70 2cug s SER 26 Ca 0.28 -1.27 0.18 0.00 0.70 0.00 0.00 55.95 55.84 2cug s SER 26 Cb 0.06 0.38 1.22 0.00 -1.71 0.00 0.00 66.02 65.97 2cug s SER 26 CO 0.08 -1.05 2.04 0.08 1.20 0.00 0.00 173.24 175.59 2cug h ARG 27 N 0.83 0.14 0.00 5.44 0.11 -2.02 0.11 114.38 119.00 2cug h ARG 27 Ca -0.38 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.68 2cug h ARG 27 Cb 1.30 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 2cug h ARG 27 CO 0.59 0.10 -0.06 0.00 0.10 0.00 0.00 179.97 180.70 2cug h THR 28 N 0.15 0.26 -2.93 0.08 1.03 -2.06 -3.43 112.91 106.01 2cug h THR 28 Ca 0.18 -0.42 -0.53 0.00 -0.01 0.00 0.00 66.41 65.63 2cug h THR 28 Cb 0.50 1.33 0.04 0.00 -1.07 0.00 0.00 68.15 68.95 2cug h THR 28 CO -0.02 0.06 0.80 0.00 -0.01 0.00 0.00 175.52 176.35 2cug s ALA 29 N -4.00 3.69 0.45 0.00 0.00 0.37 -5.02 121.76 117.24 2cug s ALA 29 Ca -0.02 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.26 2cug s ALA 29 Cb 0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2cug s ALA 29 CO 0.53 -0.70 0.23 -1.54 0.00 0.00 0.00 175.76 174.28 2cug s SER 30 N 1.07 4.49 0.31 0.00 1.04 -1.26 -4.84 113.70 114.52 2cug s SER 30 Ca 0.67 -1.13 0.17 0.00 0.48 0.00 0.00 55.95 56.13 2cug s SER 30 Cb -0.41 -0.22 1.12 0.00 0.10 0.00 0.00 66.02 66.61 2cug s SER 30 CO 0.31 -0.69 1.34 0.00 0.98 0.00 0.00 173.24 175.18 2cug n GLN 31 N -1.37 -0.05 0.25 4.02 1.13 -1.26 -0.36 117.38 119.74 2cug n GLN 31 Ca -0.02 1.17 -0.10 0.00 -1.94 0.00 0.00 57.00 56.11 2cug n GLN 31 Cb 0.64 -2.10 -0.05 0.00 0.11 0.00 0.00 30.24 28.85 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 1.69 -0.97 -0.70 -1.58 0.00 -1.98 0.01 119.26 115.73 2cug h ALA 32 Ca 0.71 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.61 2cug h ALA 32 Cb 1.86 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.81 2cug h ALA 32 CO -0.66 -0.92 0.23 0.22 0.00 0.00 0.00 179.25 178.12 2cug h ASP 33 N -0.79 0.17 0.41 0.00 1.82 -1.11 0.90 116.42 117.82 2cug h ASP 33 Ca -0.07 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2cug h ASP 33 Cb 0.51 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2cug h ASP 33 CO 0.11 0.06 -0.20 0.40 -1.61 0.00 0.00 179.24 178.00 2cug h ILE 34 N 0.37 0.00 -1.03 2.25 2.04 -0.71 0.30 117.51 120.73 2cug h ILE 34 Ca 0.38 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.51 2cug h ILE 34 Cb 0.58 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.54 2cug h ILE 34 CO -0.41 0.00 0.62 0.50 0.00 0.00 0.00 178.15 178.86 2cug h LYS 35 N -0.56 0.46 -0.38 2.37 3.11 -0.77 0.36 116.57 121.16 2cug h LYS 35 Ca -0.06 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.61 2cug h LYS 35 Cb 0.43 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 2cug h LYS 35 CO 0.09 0.30 -0.34 -0.22 -2.81 0.00 0.00 179.45 176.48 2cug h LYS 36 N 0.47 0.90 -0.43 1.90 3.64 -0.64 -2.64 116.57 119.78 2cug h LYS 36 Ca 0.65 -0.46 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2cug h LYS 36 Cb 1.42 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2cug h LYS 36 CO -0.44 1.11 -0.24 0.00 -2.27 0.00 0.00 179.45 177.61 2cug h ALA 37 N 0.77 0.76 0.94 5.00 0.00 0.32 -2.79 119.26 124.26 2cug h ALA 37 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2cug h ALA 37 Cb 0.93 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2cug h ALA 37 CO 0.09 0.66 -0.45 -0.92 0.00 0.00 0.00 179.25 178.62 2cug h TYR 38 N 0.76 -1.17 -0.24 0.00 3.20 -0.49 -1.51 116.97 117.53 2cug h TYR 38 Ca 0.10 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2cug h TYR 38 Cb 0.79 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 2cug h TYR 38 CO 0.05 -0.73 -0.51 0.87 -1.64 0.00 0.00 178.16 176.20 2cug h LYS 39 N -1.30 -0.47 -0.74 1.82 1.57 -1.53 0.22 116.57 116.14 2cug h LYS 39 Ca -0.13 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.85 2cug h LYS 39 Cb 0.97 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.26 2cug h LYS 39 CO 0.21 -0.31 0.12 0.87 -0.57 0.00 0.00 179.45 179.77 2cug h LYS 40 N -0.49 0.20 -0.68 3.15 1.57 -1.51 0.33 116.57 119.14 2cug h LYS 40 Ca 0.07 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2cug h LYS 40 Cb 0.64 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2cug h LYS 40 CO -0.49 0.13 0.29 -0.07 -0.57 0.00 0.00 179.45 178.74 2cug h LEU 41 N 0.20 0.92 -0.58 2.94 3.38 -0.07 -0.32 115.31 121.79 2cug h LEU 41 Ca 0.42 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2cug h LEU 41 Cb 0.74 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2cug h LEU 41 CO -0.57 0.82 0.05 0.00 0.09 0.00 0.00 178.44 178.84 2cug h ALA 42 N 1.13 0.77 -0.36 1.53 0.00 0.19 0.34 119.26 122.86 2cug h ALA 42 Ca 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2cug h ALA 42 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cug h ALA 42 CO -0.02 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 2cug h ARG 43 N 0.88 0.66 0.18 0.00 3.08 -0.22 0.20 114.38 119.17 2cug h ARG 43 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2cug h ARG 43 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2cug h ARG 43 CO 0.02 0.80 -0.09 0.93 -1.07 0.00 0.00 179.97 180.56 2cug h GLU 44 N 0.47 -0.24 -0.71 0.04 4.39 -0.97 -3.13 114.58 114.43 2cug h GLU 44 Ca 0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2cug h GLU 44 Cb 0.53 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2cug h GLU 44 CO 0.03 0.18 0.00 0.91 -1.16 0.00 0.00 179.01 178.96 2cug n TRP 45 N -4.96 0.23 -1.82 4.33 7.02 0.12 -4.78 117.44 117.57 2cug n TRP 45 Ca -0.08 -0.08 -0.42 0.00 -1.02 0.00 0.00 57.50 55.90 2cug n TRP 45 Cb 0.26 -0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 29.02 2cug n TRP 45 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2cug s HIS 46 N -1.41 2.90 0.31 -5.99 2.46 0.71 -4.57 115.29 109.70 2cug s HIS 46 Ca 0.07 0.64 0.13 0.00 0.47 0.00 0.00 55.06 56.37 2cug s HIS 46 Cb 0.05 -4.03 0.60 0.00 -0.13 0.00 0.00 32.58 29.07 2cug s HIS 46 CO 0.03 -3.67 1.74 -1.00 -2.47 0.00 0.00 174.74 169.37 2cug h PRO 47 N 5.87 0.00 -0.49 2.88 0.13 -1.85 0.20 132.00 138.74 2cug h PRO 47 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2cug h PRO 47 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2cug h PRO 47 CO 0.87 0.46 0.12 0.22 -0.23 0.00 0.00 178.00 179.43 2cug h ASP 48 N 0.00 0.68 0.22 1.44 3.58 -1.95 -3.08 116.42 117.30 2cug h ASP 48 Ca -0.00 -0.11 -0.34 0.00 0.42 0.00 0.00 57.03 57.00 2cug h ASP 48 Cb 0.84 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 2cug h ASP 48 CO 0.06 0.68 -2.09 0.29 -2.88 0.00 0.00 179.24 175.30 2cug n LYS 49 N -4.29 0.66 -2.61 0.28 5.02 -1.14 -4.91 118.16 111.17 2cug n LYS 49 Ca 0.03 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 2cug n LYS 49 Cb 0.21 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cug s ASN 50 N -5.77 7.30 -0.20 4.39 -0.87 0.69 -4.94 114.94 115.54 2cug s ASN 50 Ca -0.08 1.84 0.13 0.00 -1.57 0.00 0.00 52.86 53.18 2cug s ASN 50 Cb 0.07 -2.58 -0.21 0.00 -0.02 0.00 0.00 41.25 38.50 2cug s ASN 50 CO 0.83 -0.27 -0.01 0.29 -2.57 0.00 0.00 177.10 175.37 2cug n LYS 51 N 3.46 0.82 -1.68 -0.60 4.76 -1.26 -4.74 118.16 118.93 2cug n LYS 51 Ca 0.06 0.03 -0.45 0.00 -2.87 0.00 0.00 58.31 55.07 2cug n LYS 51 Cb 0.49 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.84 3.08 -4.65 4.39 9.92 -1.26 -4.89 116.55 120.30 2cug n ASP 52 Ca -0.34 1.11 -0.43 0.00 -0.53 0.00 0.00 54.79 54.60 2cug n ASP 52 Cb 1.08 -1.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.09 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 0.38 4.02 0.00 -0.24 0.04 -1.26 -3.27 135.00 134.67 2cug s PRO 53 Ca 0.74 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2cug s PRO 53 Cb -0.65 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2cug s PRO 53 CO 0.42 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2cug n GLY 54 N 4.27 3.56 0.29 0.56 0.00 -1.26 -4.97 105.19 107.64 2cug n GLY 54 Ca 0.17 -0.87 0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 0.91 -0.12 4.61 0.00 -1.20 0.12 120.51 124.83 2cug n ALA 55 Ca 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 53.44 54.25 2cug n ALA 55 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 0.03 -0.56 0.00 4.81 -1.84 -1.43 114.58 115.60 2cug h GLU 56 Ca 0.73 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 60.03 2cug h GLU 56 Cb 1.98 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 31.25 2cug h GLU 56 CO -0.63 0.02 -0.49 0.22 -0.73 0.00 0.00 179.01 177.41 2cug h ASP 57 N 0.04 -1.66 -0.26 1.04 3.58 0.46 -0.54 116.42 119.08 2cug h ASP 57 Ca 0.19 0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.92 2cug h ASP 57 Cb 0.28 0.73 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2cug h ASP 57 CO -0.37 -0.35 0.07 -0.09 -2.88 0.00 0.00 179.24 175.62 2cug h ARG 58 N -0.26 0.18 -0.81 0.28 9.65 -1.50 -2.32 114.38 119.59 2cug h ARG 58 Ca 0.15 -0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.21 2cug h ARG 58 Cb 0.56 -0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 28.98 2cug h ARG 58 CO -0.68 0.12 0.22 0.35 2.80 0.00 0.00 179.97 182.78 2cug h PHE 59 N 0.18 0.34 -0.19 2.20 3.57 -0.09 0.15 116.94 123.11 2cug h PHE 59 Ca 0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2cug h PHE 59 Cb 0.09 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2cug h PHE 59 CO -0.14 -0.13 0.12 0.82 -2.23 0.00 0.00 178.31 176.75 2cug h ILE 60 N 0.26 1.05 -0.28 1.41 2.04 -0.61 -2.53 117.51 118.85 2cug h ILE 60 Ca 0.48 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 2cug h ILE 60 Cb 0.90 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2cug h ILE 60 CO -0.57 0.05 0.16 1.56 0.00 0.00 0.00 178.15 179.35 2cug h GLN 61 N 0.25 0.39 -0.65 2.37 1.08 -0.71 -0.63 115.11 117.21 2cug h GLN 61 Ca 0.07 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2cug h GLN 61 Cb -0.02 -0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.23 2cug h GLN 61 CO -0.01 0.33 0.06 0.82 -0.95 0.00 0.00 178.83 179.08 2cug h ILE 62 N 0.35 0.51 -0.18 2.54 2.04 -0.61 0.53 117.51 122.69 2cug h ILE 62 Ca 0.10 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 2cug h ILE 62 Cb 0.04 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2cug h ILE 62 CO -0.02 0.03 -0.17 -1.28 0.00 0.00 0.00 178.15 176.72 2cug h SER 63 N 0.17 0.47 0.27 1.72 0.87 -1.21 -2.22 113.55 113.62 2cug h SER 63 Ca 0.35 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2cug h SER 63 Cb 0.57 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2cug h SER 63 CO -0.51 0.84 -0.05 0.11 -0.53 0.00 0.00 176.83 176.69 2cug h LYS 64 N 0.10 0.00 0.10 2.24 1.79 -0.12 0.63 116.57 121.31 2cug h LYS 64 Ca 0.03 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.22 2cug h LYS 64 Cb 0.70 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2cug h LYS 64 CO 0.04 0.05 -1.38 0.00 -1.08 0.00 0.00 179.45 177.08 2cug h ALA 65 N 1.95 0.25 0.01 3.86 0.00 0.22 -3.33 119.26 122.22 2cug h ALA 65 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 2cug h ALA 65 Cb 0.19 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2cug h ALA 65 CO 0.01 1.12 -0.04 -0.92 0.00 0.00 0.00 179.25 179.42 2cug h TYR 66 N 0.06 0.03 -1.25 0.00 3.20 -0.74 -3.29 116.97 114.97 2cug h TYR 66 Ca -0.18 -0.02 0.41 0.00 3.14 0.00 0.00 58.73 62.08 2cug h TYR 66 Cb 1.97 -0.00 -0.13 0.00 1.54 0.00 0.00 36.73 40.11 2cug h TYR 66 CO 0.05 0.95 0.80 1.05 -1.64 0.00 0.00 178.16 179.37 2cug h GLU 67 N -0.90 0.12 0.55 1.82 4.11 -1.06 0.53 114.58 119.75 2cug h GLU 67 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2cug h GLU 67 Cb 0.96 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.19 2cug h GLU 67 CO 0.01 0.08 -0.27 0.82 0.07 0.00 0.00 179.01 179.72 2cug h ILE 68 N 0.12 0.31 0.58 -1.06 2.04 -1.67 -2.97 117.51 114.86 2cug h ILE 68 Ca 0.80 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 66.26 2cug h ILE 68 Cb 2.40 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2cug h ILE 68 CO -0.44 0.04 -0.28 -0.07 0.00 0.00 0.00 178.15 177.40 2cug h LEU 69 N -1.02 -0.66 -0.73 1.44 3.38 -0.90 0.20 115.31 117.03 2cug h LEU 69 Ca -0.08 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.01 2cug h LEU 69 Cb 0.64 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 2cug h LEU 69 CO 0.12 -0.30 -0.15 -1.54 0.09 0.00 0.00 178.44 176.66 2cug n SER 70 N -5.33 -0.24 -4.71 -0.43 3.41 0.16 -4.07 113.62 102.41 2cug n SER 70 Ca -0.11 1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 59.33 2cug n SER 70 Cb 0.34 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 2cug n SER 70 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2cug s ASN 71 N -5.16 7.39 0.08 4.04 3.84 -1.12 -4.97 114.94 119.04 2cug s ASN 71 Ca -0.11 1.71 -0.29 0.00 0.21 0.00 0.00 52.86 54.39 2cug s ASN 71 Cb 0.20 -2.58 -0.16 0.00 -0.55 0.00 0.00 41.25 38.17 2cug s ASN 71 CO 0.57 -0.22 1.66 -0.08 -2.79 0.00 0.00 177.10 176.24 2cug h GLU 72 N 6.48 -0.52 -0.01 0.43 4.57 -1.83 0.92 114.58 124.62 2cug h GLU 72 Ca -0.42 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2cug h GLU 72 Cb 1.22 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2cug h GLU 72 CO 0.74 -0.35 -0.11 0.93 -1.18 0.00 0.00 179.01 179.05 2cug h GLU 73 N -0.54 -0.13 -0.51 1.92 5.08 -1.91 0.71 114.58 119.20 2cug h GLU 73 Ca -0.04 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2cug h GLU 73 Cb 0.44 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2cug h GLU 73 CO 0.04 -0.09 -0.12 0.87 -1.00 0.00 0.00 179.01 178.72 2cug h LYS 74 N -0.13 0.01 -0.20 2.33 1.57 -1.74 0.11 116.57 118.51 2cug h LYS 74 Ca 0.00 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2cug h LYS 74 Cb 0.15 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 2cug h LYS 74 CO -0.08 0.00 -0.51 -0.09 -0.57 0.00 0.00 179.45 178.21 2cug h ARG 75 N 0.01 -0.50 -0.45 3.15 2.43 0.20 -1.29 114.38 117.93 2cug h ARG 75 Ca 0.24 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2cug h ARG 75 Cb 0.37 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2cug h ARG 75 CO -0.52 -0.33 0.26 1.15 -1.51 0.00 0.00 179.97 179.03 2cug h THR 76 N -0.52 1.04 -1.02 0.20 2.02 -0.24 -2.16 112.91 112.23 2cug h THR 76 Ca 0.06 -0.18 0.26 0.00 0.77 0.00 0.00 66.41 67.31 2cug h THR 76 Cb 0.65 0.46 -0.12 0.00 -1.74 0.00 0.00 68.15 67.41 2cug h THR 76 CO -0.46 0.10 0.61 -1.13 0.37 0.00 0.00 175.52 175.01 2cug h ASN 77 N 0.53 0.62 -0.68 4.18 -1.24 0.03 0.31 115.58 119.33 2cug h ASN 77 Ca 0.18 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.29 2cug h ASN 77 Cb 0.02 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2cug h ASN 77 CO -0.09 0.09 0.31 0.22 -1.29 0.00 0.00 177.43 176.67 2cug h TYR 78 N 0.53 1.00 -0.08 0.67 3.20 -0.59 -1.90 116.97 119.80 2cug h TYR 78 Ca 0.64 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.38 2cug h TYR 78 Cb 1.32 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2cug h TYR 78 CO -0.01 0.76 -0.22 0.22 -1.64 0.00 0.00 178.16 177.27 2cug h ASP 79 N 0.95 0.34 -0.53 -2.11 3.58 -0.49 -2.94 116.42 115.23 2cug h ASP 79 Ca 0.23 -0.60 0.13 0.00 0.42 0.00 0.00 57.03 57.22 2cug h ASP 79 Cb 0.15 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2cug h ASP 79 CO -0.03 0.88 0.37 0.45 -2.88 0.00 0.00 179.24 178.03 2cug h HIS 80 N -0.18 0.12 0.00 0.28 3.86 -0.58 0.30 115.15 118.95 2cug h HIS 80 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2cug h HIS 80 Cb 0.84 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 2cug h HIS 80 CO 0.12 0.05 -0.10 -0.92 0.86 0.00 0.00 177.93 177.95 2cug h TYR 81 N 0.11 0.00 0.00 2.45 5.03 -1.29 -3.46 116.97 119.81 2cug h TYR 81 Ca 0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2cug h TYR 81 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2cug h TYR 81 CO -0.00 0.10 0.00 0.41 -1.32 0.00 0.00 178.16 177.35 2cug n GLY 82 N -0.05 1.08 0.25 1.82 0.00 0.10 -4.91 105.19 103.49 2cug n GLY 82 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.09 -4.91 1.61 3.41 -1.12 -4.37 113.62 108.33 2cug n SER 83 Ca 0.00 1.26 -0.20 0.00 -0.26 0.00 0.00 58.87 59.67 2cug n SER 83 Cb 0.00 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 2cug n SER 83 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cug s GLY 84 N -4.16 2.04 0.13 5.00 0.00 -1.26 -5.06 107.32 104.02 2cug s GLY 84 Ca -0.08 -1.80 -0.31 0.00 0.00 0.00 0.00 44.72 42.53 2cug s GLY 84 CO 0.59 -1.62 1.35 2.56 0.00 0.00 0.00 173.10 175.97 2cug s PRO 85 N -4.17 4.35 0.21 2.90 0.04 -1.26 -5.01 135.00 132.06 2cug s PRO 85 Ca 0.49 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.34 2cug s PRO 85 Cb -0.05 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.29 2cug s PRO 85 CO 0.29 -0.36 0.69 -1.12 0.04 0.00 0.00 177.00 176.54 2cug s SER 86 N 0.87 -0.39 -0.10 6.66 0.01 -1.26 -5.10 113.70 114.39 2cug s SER 86 Ca 0.62 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 2cug s SER 86 Cb -0.36 0.65 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 2cug s SER 86 CO 0.32 -1.14 -0.10 0.28 0.41 0.00 0.00 173.24 173.02 2cug h SER 87 N 2.00 0.00 0.00 2.44 0.02 -2.02 -3.51 113.55 112.48 2cug h SER 87 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2cug h SER 87 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2cug h SER 87 CO 0.30 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 177.14