#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 s SER 2 N 0.00 -0.13 -0.32 1.61 0.01 -1.26 -5.14 113.70 108.47 1ug0 s SER 2 Ca 0.00 0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 1ug0 s SER 2 Cb 0.00 0.13 0.19 0.00 0.21 0.00 0.00 66.02 66.55 1ug0 s SER 2 CO 0.00 -0.21 0.90 -0.55 0.41 0.00 0.00 173.24 173.79 1ug0 s SER 3 N -2.15 -0.77 0.00 2.44 0.15 -1.26 -5.13 113.70 106.98 1ug0 s SER 3 Ca 0.10 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ug0 s SER 3 Cb -0.01 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1ug0 s SER 3 CO -0.04 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1ug0 n GLY 4 N 4.65 -2.71 0.10 9.45 0.00 -1.26 -4.99 105.19 110.42 1ug0 n GLY 4 Ca 0.08 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1ug0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug0 n SER 5 N -0.65 1.86 -4.72 1.61 2.88 -1.26 -4.89 113.62 108.45 1ug0 n SER 5 Ca 0.00 0.48 -0.38 0.00 -1.33 0.00 0.00 58.87 57.64 1ug0 n SER 5 Cb 0.00 -0.90 -0.06 0.00 -0.75 0.00 0.00 64.21 62.50 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug0 s SER 6 N -6.47 6.72 -0.62 -3.46 0.01 -1.26 -5.02 113.70 103.60 1ug0 s SER 6 Ca -0.25 0.86 0.06 0.00 1.31 0.00 0.00 55.95 57.92 1ug0 s SER 6 Cb 0.05 -2.30 0.21 0.00 0.21 0.00 0.00 66.02 64.19 1ug0 s SER 6 CO 0.44 -0.01 0.57 0.61 0.41 0.00 0.00 173.24 175.26 1ug0 n GLY 7 N 3.22 3.99 0.32 3.44 0.00 -1.26 -4.90 105.19 110.01 1ug0 n GLY 7 Ca -0.06 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1ug0 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ug0 n GLU 8 N 1.61 0.00 -0.63 1.61 2.13 -1.26 -4.60 120.64 119.50 1ug0 n GLU 8 Ca 0.25 0.00 0.49 0.00 0.66 0.00 0.00 57.16 58.56 1ug0 n GLU 8 Cb 0.40 -0.22 0.76 0.00 0.27 0.00 0.00 31.44 32.65 1ug0 n GLU 8 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ug0 h GLU 9 N 0.00 0.00 -1.25 5.31 5.08 -2.01 0.94 114.58 122.65 1ug0 h GLU 9 Ca 0.00 0.00 0.39 0.00 -1.00 0.00 0.00 59.36 58.75 1ug0 h GLU 9 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1ug0 h GLU 9 CO 0.00 0.00 0.81 -0.44 -1.00 0.00 0.00 179.01 178.38 1ug0 h ASP 10 N 0.00 0.29 -0.51 1.42 5.19 -1.94 1.46 116.42 122.34 1ug0 h ASP 10 Ca 0.87 0.11 0.15 0.00 -0.62 0.00 0.00 57.03 57.54 1ug0 h ASP 10 Cb 3.67 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 43.24 1ug0 h ASP 10 CO -0.01 -0.10 0.65 0.10 -3.12 0.00 0.00 179.24 176.76 1ug0 h TYR 11 N 0.16 0.00 0.00 4.55 -0.00 0.64 1.46 116.97 123.78 1ug0 h TYR 11 Ca 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.44 1ug0 h TYR 11 Cb 2.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 39.01 1ug0 h TYR 11 CO -0.00 0.00 -1.62 -0.85 -0.00 0.00 0.00 178.16 175.69 1ug0 n GLU 12 N -3.44 0.64 0.05 0.10 0.28 0.50 -3.94 120.64 114.83 1ug0 n GLU 12 Ca 0.10 -0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.13 1ug0 n GLU 12 Cb 0.84 -1.66 0.27 0.00 1.43 0.00 0.00 31.44 32.32 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ug0 n GLN 13 N -2.51 0.06 -0.01 3.44 -0.00 0.50 -0.48 117.38 118.38 1ug0 n GLN 13 Ca -0.05 0.45 -0.09 0.00 -0.00 0.00 0.00 57.00 57.31 1ug0 n GLN 13 Cb 0.63 -1.65 -0.14 0.00 -0.00 0.00 0.00 30.24 29.09 1ug0 n GLN 13 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1ug0 h TRP 14 N 0.00 0.02 -0.98 2.61 4.06 -1.65 -3.33 115.95 116.68 1ug0 h TRP 14 Ca 0.00 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.02 1ug0 h TRP 14 Cb 0.11 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.20 1ug0 h TRP 14 CO 0.00 1.02 0.63 1.25 -3.56 0.00 0.00 178.44 177.78 1ug0 h LEU 15 N 0.00 0.97 -2.69 -4.49 5.85 -0.98 0.42 115.31 114.39 1ug0 h LEU 15 Ca -0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ug0 h LEU 15 Cb 1.98 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1ug0 h LEU 15 CO 0.09 0.58 0.00 -0.08 -0.34 0.00 0.00 178.44 178.69 1ug0 h GLU 16 N 1.08 0.00 -3.96 1.25 4.81 -1.65 -3.31 114.58 112.79 1ug0 h GLU 16 Ca 0.45 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.96 1ug0 h GLU 16 Cb 0.29 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 29.35 1ug0 h GLU 16 CO -0.20 0.00 -0.34 0.42 -0.73 0.00 0.00 179.01 178.17 1ug0 s ILE 17 N -4.04 4.04 0.52 2.32 1.01 0.15 -5.07 121.20 120.12 1ug0 s ILE 17 Ca -0.04 -2.43 -0.14 0.00 0.00 0.00 0.00 60.65 58.05 1ug0 s ILE 17 Cb 0.12 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1ug0 s ILE 17 CO 0.39 -0.84 0.95 -0.75 0.00 0.00 0.00 174.94 174.69 1ug0 s LYS 18 N 0.55 3.81 -0.07 2.79 2.47 -1.25 -4.93 119.74 123.12 1ug0 s LYS 18 Ca 0.13 0.78 -0.21 0.00 -1.56 0.00 0.00 55.97 55.10 1ug0 s LYS 18 Cb -0.21 -2.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.94 1ug0 s LYS 18 CO -0.04 -0.29 0.62 0.08 0.16 0.00 0.00 175.35 175.88 1ug0 s VAL 19 N -2.71 5.07 0.31 4.02 1.01 -1.26 -5.07 120.40 121.77 1ug0 s VAL 19 Ca 0.56 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.78 1ug0 s VAL 19 Cb -0.10 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1ug0 s VAL 19 CO 0.37 0.30 0.55 -0.44 0.00 0.00 0.00 175.10 175.88 1ug0 s SER 20 N 0.61 6.38 1.00 3.32 0.01 -1.26 -4.30 113.70 119.46 1ug0 s SER 20 Ca 0.33 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 58.04 1ug0 s SER 20 Cb -0.17 -2.10 0.19 0.00 0.21 0.00 0.00 66.02 64.16 1ug0 s SER 20 CO 0.16 -0.23 1.18 -2.16 0.41 0.00 0.00 173.24 172.60 1ug0 s PRO 21 N -3.84 0.37 0.00 12.44 0.04 -1.26 -4.59 135.00 138.16 1ug0 s PRO 21 Ca 0.42 -0.00 0.13 0.00 0.04 0.00 0.00 61.00 61.59 1ug0 s PRO 21 Cb -0.10 -1.78 0.79 0.00 0.04 0.00 0.00 34.50 33.46 1ug0 s PRO 21 CO 0.33 -2.66 1.33 -0.35 0.04 0.00 0.00 177.00 175.68 1ug0 n PRO 22 N -4.03 0.75 0.22 0.56 -0.04 -1.26 -2.95 135.00 128.25 1ug0 n PRO 22 Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1ug0 n PRO 22 Cb 0.59 -1.28 0.46 0.00 -0.04 0.00 0.00 33.50 33.24 1ug0 n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ug0 h GLU 23 N 0.00 0.00 0.00 0.54 5.08 -1.95 -2.34 114.58 115.91 1ug0 h GLU 23 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ug0 h GLU 23 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ug0 h GLU 23 CO 0.00 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 1ug0 n GLY 24 N 0.10 -1.21 0.33 -3.84 0.00 -1.15 -2.53 105.19 96.88 1ug0 n GLY 24 Ca -0.00 0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.23 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 h ALA 25 N 2.41 1.11 0.15 4.61 0.00 -1.67 0.37 119.26 126.23 1ug0 h ALA 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1ug0 h ALA 25 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ug0 h ALA 25 CO 0.00 -0.11 -1.28 1.49 0.00 0.00 0.00 179.25 179.36 1ug0 h GLU 26 N 0.00 0.60 0.00 0.00 4.81 -1.72 -3.23 114.58 115.04 1ug0 h GLU 26 Ca 0.00 -0.85 0.00 0.00 -0.13 0.00 0.00 59.36 58.38 1ug0 h GLU 26 Cb 0.22 0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ug0 h GLU 26 CO 0.00 1.39 -0.23 2.41 -0.73 0.00 0.00 179.01 181.85 1ug0 n THR 27 N -3.79 0.52 0.18 0.32 -1.04 0.34 -3.62 114.28 107.18 1ug0 n THR 27 Ca -0.14 -0.29 0.17 0.00 -2.04 0.00 0.00 64.05 61.75 1ug0 n THR 27 Cb 1.00 -0.42 0.67 0.00 -1.82 0.00 0.00 70.33 69.76 1ug0 n THR 27 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1ug0 h ARG 28 N 0.00 0.00 0.00 -2.82 -0.00 -0.43 1.76 114.38 112.89 1ug0 h ARG 28 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 1ug0 h ARG 28 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.70 1ug0 h ARG 28 CO 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 179.97 179.38 1ug0 h ARG 29 N 0.00 0.00 0.00 0.08 3.08 -1.76 -1.89 114.38 113.89 1ug0 h ARG 29 Ca 0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.97 1ug0 h ARG 29 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 1ug0 h ARG 29 CO -0.00 0.59 -1.86 0.28 -1.07 0.00 0.00 179.97 177.92 1ug0 n VAL 30 N -3.42 1.06 0.11 2.04 0.31 0.55 -4.27 118.33 114.71 1ug0 n VAL 30 Ca 0.00 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.50 1ug0 n VAL 30 Cb 0.70 -0.53 -0.08 0.00 -0.91 0.00 0.00 33.84 33.02 1ug0 n VAL 30 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug0 h ILE 31 N 0.00 0.74 -1.45 2.52 2.04 0.06 -3.05 117.51 118.37 1ug0 h ILE 31 Ca -0.27 -0.85 0.49 0.00 1.00 0.00 0.00 64.86 65.23 1ug0 h ILE 31 Cb 1.72 1.17 -0.13 0.00 -0.74 0.00 0.00 36.82 38.84 1ug0 h ILE 31 CO 0.03 0.16 0.95 -0.33 0.00 0.00 0.00 178.15 178.97 1ug0 h GLU 32 N -0.82 0.01 -0.09 2.37 5.08 -1.54 1.55 114.58 121.15 1ug0 h GLU 32 Ca -0.03 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ug0 h GLU 32 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1ug0 h GLU 32 CO 0.05 0.01 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.85 1ug0 h LYS 33 N 0.01 0.02 -0.21 2.33 1.63 -1.71 0.57 116.57 119.20 1ug0 h LYS 33 Ca 0.89 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.73 1ug0 h LYS 33 Cb 2.94 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 34.52 1ug0 h LYS 33 CO -0.41 0.01 -0.09 1.25 -3.45 0.00 0.00 179.45 176.76 1ug0 h LEU 34 N 0.02 -0.32 0.34 5.20 6.46 0.22 0.51 115.31 127.75 1ug0 h LEU 34 Ca 0.04 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ug0 h LEU 34 Cb 0.05 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1ug0 h LEU 34 CO -0.08 -0.12 -0.26 0.00 -0.62 0.00 0.00 178.44 177.36 1ug0 h ALA 35 N 1.13 -0.59 0.00 1.25 0.00 -0.96 0.82 119.26 120.90 1ug0 h ALA 35 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ug0 h ALA 35 Cb 0.23 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ug0 h ALA 35 CO -0.26 -0.85 0.03 -0.09 0.00 0.00 0.00 179.25 178.08 1ug0 h ARG 36 N -0.60 0.00 0.00 0.00 2.43 0.64 0.34 114.38 117.19 1ug0 h ARG 36 Ca -0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1ug0 h ARG 36 Cb 0.52 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1ug0 h ARG 36 CO 0.00 0.00 -1.82 0.34 -1.51 0.00 0.00 179.97 176.98 1ug0 n PHE 37 N -2.50 0.48 0.00 2.20 7.35 0.18 -3.87 117.46 121.31 1ug0 n PHE 37 Ca -0.02 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1ug0 n PHE 37 Cb 0.08 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 38.98 1ug0 n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ug0 n VAL 38 N -2.70 0.00 -0.66 -2.13 0.31 0.26 -3.59 118.33 109.82 1ug0 n VAL 38 Ca -0.15 0.17 0.51 0.00 -0.01 0.00 0.00 64.34 64.86 1ug0 n VAL 38 Cb 0.86 -0.99 0.78 0.00 -0.91 0.00 0.00 33.84 33.58 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 n ALA 39 N -1.61 1.80 0.08 3.52 0.00 0.87 0.75 120.51 125.91 1ug0 n ALA 39 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 53.44 54.03 1ug0 n ALA 39 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1ug0 n ALA 39 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ug0 h GLU 40 N 0.00 -0.20 0.08 0.00 4.57 -1.66 -3.41 114.58 113.96 1ug0 h GLU 40 Ca 0.89 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 59.08 1ug0 h GLU 40 Cb 3.69 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 32.32 1ug0 h GLU 40 CO -0.01 -0.13 -0.04 0.78 -1.18 0.00 0.00 179.01 178.43 1ug0 h GLY 41 N -0.27 -0.11 0.00 1.92 0.00 -0.60 -3.51 103.07 100.50 1ug0 h GLY 41 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ug0 h GLY 41 CO 0.03 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ug0 n GLY 42 N 1.45 -0.16 0.12 4.60 0.00 0.23 -4.91 105.19 106.51 1ug0 n GLY 42 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 1ug0 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 h PRO 43 N 0.00 0.00 -0.67 1.61 0.13 -1.96 -3.09 132.00 128.01 1ug0 h PRO 43 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.31 1ug0 h PRO 43 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1ug0 h PRO 43 CO 0.00 0.71 0.48 0.93 -0.23 0.00 0.00 178.00 179.89 1ug0 h GLU 44 N 0.00 0.09 0.06 0.86 4.39 -1.94 0.34 114.58 118.38 1ug0 h GLU 44 Ca -0.01 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 1ug0 h GLU 44 Cb 1.30 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1ug0 h GLU 44 CO 0.09 0.06 -1.10 -0.07 -1.16 0.00 0.00 179.01 176.83 1ug0 h LEU 45 N 0.09 0.67 -1.89 1.33 -0.00 -1.82 0.57 115.31 114.26 1ug0 h LEU 45 Ca 0.32 -0.59 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1ug0 h LEU 45 Cb 1.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1ug0 h LEU 45 CO -0.03 1.40 -0.07 -0.08 -0.00 0.00 0.00 178.44 179.66 1ug0 h GLU 46 N 0.24 0.00 0.09 1.13 4.81 -0.47 1.44 114.58 121.82 1ug0 h GLU 46 Ca -0.13 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.74 1ug0 h GLU 46 Cb 1.76 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.11 1ug0 h GLU 46 CO 0.20 0.07 -2.08 1.63 -0.73 0.00 0.00 179.01 178.10 1ug0 n LYS 47 N -3.31 0.72 0.12 1.92 5.02 -0.10 -3.57 118.16 118.96 1ug0 n LYS 47 Ca -0.01 0.26 -0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1ug0 n LYS 47 Cb 0.25 -1.66 0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1ug0 n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ug0 h VAL 48 N -0.04 1.49 -0.26 -0.18 2.07 -0.60 -3.12 116.25 115.60 1ug0 h VAL 48 Ca -0.46 -2.34 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 1ug0 h VAL 48 Cb 1.95 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 1ug0 h VAL 48 CO 0.02 0.67 0.10 0.00 0.02 0.00 0.00 177.57 178.38 1ug0 h ALA 49 N 1.28 0.34 -0.00 1.67 0.00 0.18 0.20 119.26 122.93 1ug0 h ALA 49 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ug0 h ALA 49 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ug0 h ALA 49 CO 0.09 -0.06 0.18 0.52 0.00 0.00 0.00 179.25 179.99 1ug0 h MET 50 N 0.27 0.00 0.00 0.00 2.07 -1.59 0.33 114.93 116.02 1ug0 h MET 50 Ca 0.09 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.54 1ug0 h MET 50 Cb 0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.88 1ug0 h MET 50 CO -0.01 0.00 -2.04 0.39 1.07 0.00 0.00 176.91 176.32 1ug0 n GLU 51 N -2.99 0.66 0.06 1.72 1.02 -0.60 -2.65 120.64 117.87 1ug0 n GLU 51 Ca -0.02 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1ug0 n GLU 51 Cb 0.24 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ug0 h ASP 52 N 0.00 0.54 -0.27 1.62 3.58 0.26 -3.23 116.42 118.92 1ug0 h ASP 52 Ca -0.25 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 56.67 1ug0 h ASP 52 Cb 1.60 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.43 1ug0 h ASP 52 CO 0.02 1.22 -0.06 -1.22 -2.88 0.00 0.00 179.24 176.32 1ug0 n TYR 53 N -3.76 0.89 -0.24 0.28 4.01 0.64 -4.72 117.16 114.25 1ug0 n TYR 53 Ca -0.07 -1.30 0.04 0.00 -0.16 0.00 0.00 57.90 56.41 1ug0 n TYR 53 Cb 0.83 -0.39 0.13 0.00 -0.31 0.00 0.00 39.34 39.60 1ug0 n TYR 53 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ug0 h LYS 54 N 1.15 0.09 -3.20 -0.72 3.64 -1.53 -2.81 116.57 113.20 1ug0 h LYS 54 Ca 0.12 -0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.81 1ug0 h LYS 54 Cb 1.50 -0.02 -0.37 0.00 -0.41 0.00 0.00 32.23 32.93 1ug0 h LYS 54 CO 0.28 0.06 -0.21 -0.25 -2.27 0.00 0.00 179.45 177.06 1ug0 n ASP 55 N -5.35 3.94 -3.82 4.20 9.92 -1.26 -5.01 116.55 119.16 1ug0 n ASP 55 Ca 0.12 -3.18 -0.24 0.00 -0.53 0.00 0.00 54.79 50.96 1ug0 n ASP 55 Cb 0.43 -0.96 -0.17 0.00 -0.64 0.00 0.00 41.12 39.77 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ug0 s ASN 56 N -0.64 1.84 0.21 -2.24 3.84 -1.06 -4.99 114.94 111.90 1ug0 s ASN 56 Ca 0.28 -0.18 0.25 0.00 0.21 0.00 0.00 52.86 53.41 1ug0 s ASN 56 Cb -0.05 -0.60 0.90 0.00 -0.55 0.00 0.00 41.25 40.96 1ug0 s ASN 56 CO -0.13 -0.17 1.74 -0.81 -2.79 0.00 0.00 177.10 174.94 1ug0 n PRO 57 N 5.07 0.21 -0.11 0.43 -0.04 -1.26 -2.73 135.00 136.56 1ug0 n PRO 57 Ca -0.09 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 1ug0 n PRO 57 Cb 0.50 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 1ug0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ug0 n ALA 58 N -1.75 1.30 -0.26 0.55 0.00 -1.26 -4.32 120.51 114.76 1ug0 n ALA 58 Ca 0.04 -1.02 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 1ug0 n ALA 58 Cb 0.32 -0.14 0.05 0.00 0.00 0.00 0.00 19.45 19.68 1ug0 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ug0 n PHE 59 N -3.54 1.17 0.39 0.00 3.01 -1.21 -4.22 117.46 113.06 1ug0 n PHE 59 Ca -0.46 -1.33 0.14 0.00 1.01 0.00 0.00 57.45 56.81 1ug0 n PHE 59 Cb 0.97 -0.66 0.52 0.00 -0.01 0.00 0.00 39.48 40.29 1ug0 n PHE 59 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1ug0 h THR 60 N 0.65 0.00 0.00 4.37 1.35 -1.70 -2.65 112.91 114.92 1ug0 h THR 60 Ca 0.23 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1ug0 h THR 60 Cb 1.36 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1ug0 h THR 60 CO 0.49 0.00 0.00 2.19 -0.25 0.00 0.00 175.52 177.95 1ug0 h PHE 61 N 0.00 0.00 0.00 4.73 -0.00 -1.90 -3.21 116.94 116.56 1ug0 h PHE 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1ug0 h PHE 61 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 1ug0 h PHE 61 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.31 178.20 1ug0 n LEU 62 N -2.76 0.00 -0.04 2.10 7.94 -1.00 -3.12 117.00 120.12 1ug0 n LEU 62 Ca -0.01 0.94 -0.02 0.00 -1.11 0.00 0.00 56.01 55.81 1ug0 n LEU 62 Cb 0.17 -0.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 1ug0 n LEU 62 CO 0.20 -0.44 0.50 0.45 -1.11 0.00 0.00 177.39 176.99 1ug0 h HIS 63 N 0.00 -0.33 -0.99 1.96 3.86 -1.81 -3.40 115.15 114.44 1ug0 h HIS 63 Ca 0.00 0.02 -0.81 0.00 -1.16 0.00 0.00 60.37 58.42 1ug0 h HIS 63 Cb 0.00 0.16 0.04 0.00 1.06 0.00 0.00 27.41 28.67 1ug0 h HIS 63 CO -0.26 -0.08 0.21 -0.25 0.86 0.00 0.00 177.93 178.40 1ug0 n ASP 64 N -3.28 0.27 -1.95 2.45 8.00 -1.18 -4.84 116.55 116.02 1ug0 n ASP 64 Ca -0.00 1.16 -0.19 0.00 0.71 0.00 0.00 54.79 56.46 1ug0 n ASP 64 Cb 0.06 -0.90 0.04 0.00 -0.02 0.00 0.00 41.12 40.29 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ug0 n LYS 65 N 2.07 3.28 0.00 -1.24 5.02 -1.26 -4.69 118.16 121.34 1ug0 n LYS 65 Ca 0.22 -4.03 0.00 0.00 -2.02 0.00 0.00 58.31 52.48 1ug0 n LYS 65 Cb 0.05 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 1ug0 n LYS 65 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ug0 n ASN 66 N -0.73 0.00 0.00 4.39 2.85 -1.26 -4.98 115.26 115.52 1ug0 n ASN 66 Ca 0.39 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1ug0 n ASN 66 Cb 0.93 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.95 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ug0 n SER 67 N 0.00 0.00 0.00 1.20 2.88 -1.26 -5.07 113.62 111.37 1ug0 n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ug0 n SER 67 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1ug0 n SER 67 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ug0 n ARG 68 N -2.24 0.00 0.02 -1.46 0.00 -1.26 -4.86 116.66 106.86 1ug0 n ARG 68 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1ug0 n ARG 68 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.32 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ug0 h GLU 69 N 0.00 0.28 -0.66 2.89 3.07 -1.93 -3.12 114.58 115.11 1ug0 h GLU 69 Ca 0.00 -0.48 -0.06 0.00 -0.50 0.00 0.00 59.36 58.32 1ug0 h GLU 69 Cb 0.00 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1ug0 h GLU 69 CO 0.00 1.18 0.18 0.35 -1.40 0.00 0.00 179.01 179.33 1ug0 h PHE 70 N 0.08 1.09 -0.48 4.33 3.57 -1.85 -0.32 116.94 123.35 1ug0 h PHE 70 Ca -0.38 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 60.88 1ug0 h PHE 70 Cb 2.05 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1ug0 h PHE 70 CO 0.08 0.89 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.84 1ug0 h LEU 71 N 0.97 0.96 -1.04 0.59 -0.00 -1.91 -2.86 115.31 112.02 1ug0 h LEU 71 Ca 0.21 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.88 57.68 1ug0 h LEU 71 Cb 0.33 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 1ug0 h LEU 71 CO -0.00 1.11 0.23 0.22 -0.00 0.00 0.00 178.44 180.00 1ug0 h TYR 72 N 0.80 0.93 0.00 1.13 3.20 -1.41 -1.29 116.97 120.32 1ug0 h TYR 72 Ca 0.12 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ug0 h TYR 72 Cb 0.70 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1ug0 h TYR 72 CO 0.05 0.72 0.00 -0.92 -1.64 0.00 0.00 178.16 176.37 1ug0 h TYR 73 N 0.90 0.00 0.00 -3.82 3.20 -0.82 0.26 116.97 116.69 1ug0 h TYR 73 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ug0 h TYR 73 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1ug0 h TYR 73 CO 0.01 0.00 -0.84 0.54 -1.64 0.00 0.00 178.16 176.24 1ug0 n ARG 74 N -3.08 0.18 0.00 1.82 1.74 -0.51 -3.68 116.66 113.14 1ug0 n ARG 74 Ca -0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ug0 n ARG 74 Cb 0.09 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1ug0 n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ug0 n ARG 75 N -1.81 0.00 -0.37 5.56 5.12 0.91 -3.79 116.66 122.27 1ug0 n ARG 75 Ca 0.03 0.21 0.34 0.00 -1.93 0.00 0.00 57.85 56.50 1ug0 n ARG 75 Cb 0.40 -0.75 0.68 0.00 -1.16 0.00 0.00 32.46 31.63 1ug0 n ARG 75 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ug0 h LYS 76 N 0.00 0.11 -0.68 5.56 1.79 -1.74 0.20 116.57 121.81 1ug0 h LYS 76 Ca 0.00 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.58 1ug0 h LYS 76 Cb 0.00 -0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 30.50 1ug0 h LYS 76 CO 0.00 0.08 -0.33 0.28 -1.08 0.00 0.00 179.45 178.39 1ug0 h VAL 77 N 0.12 0.15 -0.86 0.50 2.07 -1.69 1.60 116.25 118.14 1ug0 h VAL 77 Ca 0.64 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.36 1ug0 h VAL 77 Cb 2.24 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 1ug0 h VAL 77 CO -0.14 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.02 1ug0 h ALA 78 N 1.13 2.26 0.51 1.67 0.00 -0.70 1.37 119.26 125.50 1ug0 h ALA 78 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ug0 h ALA 78 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ug0 h ALA 78 CO -0.74 -0.53 -0.24 1.49 0.00 0.00 0.00 179.25 179.23 1ug0 h GLU 79 N 0.35 -0.66 -0.48 0.00 4.22 0.22 -2.70 114.58 115.54 1ug0 h GLU 79 Ca 0.44 0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.95 1ug0 h GLU 79 Cb 1.15 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1ug0 h GLU 79 CO -0.14 -0.44 0.32 0.97 -2.18 0.00 0.00 179.01 177.54 1ug0 h ILE 80 N -0.91 1.06 -0.05 2.32 -0.00 -0.25 -2.72 117.51 116.95 1ug0 h ILE 80 Ca -0.07 -0.19 0.02 0.00 -0.00 0.00 0.00 64.86 64.62 1ug0 h ILE 80 Cb 0.52 0.46 -0.05 0.00 -0.00 0.00 0.00 36.82 37.75 1ug0 h ILE 80 CO 0.11 0.10 -0.47 0.03 -0.00 0.00 0.00 178.15 177.92 1ug0 h ARG 81 N 0.55 -0.53 -6.01 2.19 2.47 0.19 -3.42 114.38 109.81 1ug0 h ARG 81 Ca 0.19 0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 58.37 1ug0 h ARG 81 Cb 0.09 0.12 0.21 0.00 -1.65 0.00 0.00 29.97 28.74 1ug0 h ARG 81 CO -0.05 -0.35 -1.48 1.17 0.56 0.00 0.00 179.97 179.81 1ug0 n LYS 82 N -5.06 0.00 -3.29 0.04 0.00 -1.02 -4.98 118.16 103.85 1ug0 n LYS 82 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.19 1ug0 n LYS 82 Cb 0.34 -1.01 -0.06 0.00 0.00 0.00 0.00 35.03 34.30 1ug0 n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ug0 s SER 83 N -1.01 -0.11 0.00 3.14 0.15 -1.26 -5.02 113.70 109.59 1ug0 s SER 83 Ca 0.49 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ug0 s SER 83 Cb -0.35 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1ug0 s SER 83 CO 0.74 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1ug0 n GLY 84 N 5.38 0.87 0.00 9.45 0.00 -1.26 -5.03 105.19 114.60 1ug0 n GLY 84 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ug0 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug0 n PRO 85 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -5.05 135.00 130.26 1ug0 n PRO 85 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ug0 n PRO 85 Cb 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 n SER 86 N -0.33 0.00 -1.88 3.54 2.88 -1.26 -5.11 113.62 111.45 1ug0 n SER 86 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1ug0 n SER 86 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ug0 n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ug0 n SER 87 N 0.00 -5.69 0.00 -3.46 3.41 -1.26 -5.30 113.62 101.32 1ug0 n SER 87 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1ug0 n SER 87 Cb 0.00 -3.59 0.00 0.00 -0.26 0.00 0.00 64.21 60.36 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49