#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 n SER 2 N 0.00 4.88 -3.56 1.61 2.88 -1.26 -4.95 113.62 113.21 1ug0 n SER 2 Ca 0.00 -3.51 -0.00 0.00 -1.33 0.00 0.00 58.87 54.03 1ug0 n SER 2 Cb 0.00 -0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 62.58 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ug0 s SER 3 N -2.40 -0.98 -0.01 -3.46 1.04 -1.26 -5.16 113.70 101.48 1ug0 s SER 3 Ca 0.39 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1ug0 s SER 3 Cb 0.15 2.10 0.01 0.00 0.10 0.00 0.00 66.02 68.39 1ug0 s SER 3 CO -0.01 -0.19 -0.01 -0.83 0.98 0.00 0.00 173.24 173.18 1ug0 s GLY 4 N 2.76 0.13 -0.23 7.32 0.00 -1.26 -5.13 107.32 110.91 1ug0 s GLY 4 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1ug0 s GLY 4 CO -0.19 0.20 -0.00 -0.45 0.00 0.00 0.00 173.10 172.66 1ug0 s SER 5 N 0.37 3.58 -0.15 1.64 0.15 -1.26 -5.11 113.70 112.92 1ug0 s SER 5 Ca -0.03 -1.14 0.01 0.00 0.70 0.00 0.00 55.95 55.49 1ug0 s SER 5 Cb -0.06 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1ug0 s SER 5 CO -0.01 -0.29 -0.18 -0.94 1.20 0.00 0.00 173.24 173.02 1ug0 s SER 6 N 1.57 3.42 0.00 5.45 1.04 -1.26 -5.04 113.70 118.88 1ug0 s SER 6 Ca -0.02 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1ug0 s SER 6 Cb -0.18 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1ug0 s SER 6 CO -0.09 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1ug0 n GLY 7 N 4.04 2.19 2.03 7.32 0.00 -1.26 -5.06 105.19 114.45 1ug0 n GLY 7 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.83 0.00 0.20 1.61 2.13 -1.26 -4.88 120.64 119.27 1ug0 n GLU 8 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1ug0 n GLU 8 Cb 0.00 0.00 0.76 0.00 0.27 0.00 0.00 31.44 32.47 1ug0 n GLU 8 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ug0 h GLU 9 N 0.00 0.00 -0.47 5.31 4.81 -2.01 0.12 114.58 122.34 1ug0 h GLU 9 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1ug0 h GLU 9 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1ug0 h GLU 9 CO 0.00 0.00 0.66 0.38 -0.73 0.00 0.00 179.01 179.32 1ug0 h ASP 10 N 0.00 0.00 -1.13 1.04 3.04 -1.97 0.28 116.42 117.68 1ug0 h ASP 10 Ca 0.11 0.00 0.32 0.00 -3.24 0.00 0.00 57.03 54.22 1ug0 h ASP 10 Cb 0.92 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.16 1ug0 h ASP 10 CO -0.00 0.00 0.80 0.10 -2.04 0.00 0.00 179.24 178.10 1ug0 h TYR 11 N 0.00 0.13 0.00 4.15 -0.00 -1.08 1.30 116.97 121.47 1ug0 h TYR 11 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.89 1ug0 h TYR 11 Cb 1.54 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 38.22 1ug0 h TYR 11 CO 0.00 0.01 -1.05 1.05 -0.00 0.00 0.00 178.16 178.17 1ug0 h GLU 12 N 0.07 0.00 0.00 0.10 4.11 -0.68 -3.29 114.58 114.89 1ug0 h GLU 12 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1ug0 h GLU 12 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1ug0 h GLU 12 CO -0.07 0.14 0.00 0.00 0.07 0.00 0.00 179.01 179.16 1ug0 n GLN 13 N -2.83 0.06 -0.02 1.06 -0.00 0.44 -1.39 117.38 114.70 1ug0 n GLN 13 Ca -0.03 0.46 -0.22 0.00 -0.00 0.00 0.00 57.00 57.22 1ug0 n GLN 13 Cb 0.67 -1.65 -0.13 0.00 -0.00 0.00 0.00 30.24 29.12 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 0.35 -0.51 2.61 4.06 -1.58 -3.31 115.95 117.57 1ug0 h TRP 14 Ca 0.00 -0.26 0.15 0.00 2.06 0.00 0.00 58.89 60.84 1ug0 h TRP 14 Cb 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1ug0 h TRP 14 CO 0.00 1.64 0.66 -0.07 -3.56 0.00 0.00 178.44 177.12 1ug0 h LEU 15 N -0.31 0.00 -1.39 -4.49 4.07 -1.38 1.37 115.31 113.17 1ug0 h LEU 15 Ca -0.37 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.54 1ug0 h LEU 15 Cb 1.77 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 1ug0 h LEU 15 CO 0.00 0.00 -0.09 -0.33 -1.08 0.00 0.00 178.44 176.94 1ug0 h GLU 16 N 0.00 0.29 -3.98 1.13 5.08 -1.63 -3.34 114.58 112.12 1ug0 h GLU 16 Ca 0.24 -0.06 -0.71 0.00 -1.00 0.00 0.00 59.36 57.83 1ug0 h GLU 16 Cb 1.57 -0.04 -0.33 0.00 0.50 0.00 0.00 28.75 30.45 1ug0 h GLU 16 CO -0.00 0.39 -0.38 0.42 -1.00 0.00 0.00 179.01 178.45 1ug0 s ILE 17 N -4.80 3.87 0.81 3.13 1.09 0.47 -5.08 121.20 120.70 1ug0 s ILE 17 Ca -0.06 -2.45 -0.11 0.00 -1.10 0.00 0.00 60.65 56.93 1ug0 s ILE 17 Cb 0.16 -3.55 0.10 0.00 -1.06 0.00 0.00 42.46 38.11 1ug0 s ILE 17 CO 0.74 -0.82 1.17 -0.54 -0.10 0.00 0.00 174.94 175.38 1ug0 s LYS 18 N 0.55 1.77 0.46 2.79 -0.14 -1.26 -4.95 119.74 118.97 1ug0 s LYS 18 Ca 0.13 -0.08 -0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1ug0 s LYS 18 Cb -0.21 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1ug0 s LYS 18 CO -0.04 -1.67 0.75 0.14 -0.76 0.00 0.00 175.35 173.78 1ug0 s VAL 19 N -3.56 4.94 0.11 3.17 -7.23 -1.26 -5.07 120.40 111.49 1ug0 s VAL 19 Ca 0.64 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.98 1ug0 s VAL 19 Cb -0.10 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 1ug0 s VAL 19 CO 0.49 -0.80 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.50 1ug0 s SER 20 N -4.08 4.77 1.01 4.85 1.04 -1.26 -4.01 113.70 116.01 1ug0 s SER 20 Ca 0.46 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.46 1ug0 s SER 20 Cb -0.10 -1.05 0.20 0.00 0.10 0.00 0.00 66.02 65.17 1ug0 s SER 20 CO 0.43 0.16 1.18 -2.16 0.98 0.00 0.00 173.24 173.84 1ug0 s PRO 21 N -2.35 0.34 0.00 4.02 0.04 -1.26 -4.75 135.00 131.04 1ug0 s PRO 21 Ca 0.24 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.42 1ug0 s PRO 21 Cb -0.11 -1.77 0.82 0.00 0.04 0.00 0.00 34.50 33.48 1ug0 s PRO 21 CO 0.17 -2.68 1.35 -0.35 0.04 0.00 0.00 177.00 175.53 1ug0 n PRO 22 N -4.04 0.75 0.11 0.56 -0.04 -1.26 -2.71 135.00 128.36 1ug0 n PRO 22 Ca 0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1ug0 n PRO 22 Cb 0.59 -1.29 0.43 0.00 -0.04 0.00 0.00 33.50 33.20 1ug0 n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ug0 n GLU 23 N -0.79 0.24 0.33 0.54 1.02 -1.26 -3.19 120.64 117.53 1ug0 n GLU 23 Ca 0.10 0.25 0.19 0.00 -0.02 0.00 0.00 57.16 57.69 1ug0 n GLU 23 Cb 0.05 -1.81 0.99 0.00 -0.02 0.00 0.00 31.44 30.65 1ug0 n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ug0 h GLY 24 N 4.01 0.00 1.50 0.62 0.00 -1.83 0.90 103.07 108.27 1ug0 h GLY 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ug0 h GLY 24 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 176.54 176.76 1ug0 h ALA 25 N 1.64 1.49 -0.30 3.60 0.00 -1.84 0.45 119.26 124.31 1ug0 h ALA 25 Ca 0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1ug0 h ALA 25 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ug0 h ALA 25 CO -0.00 -0.27 -0.38 1.49 0.00 0.00 0.00 179.25 180.09 1ug0 h GLU 26 N 0.00 0.69 0.00 0.00 4.81 -1.10 -2.97 114.58 116.00 1ug0 h GLU 26 Ca 0.05 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ug0 h GLU 26 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ug0 h GLU 26 CO -0.00 0.95 -0.98 2.41 -0.73 0.00 0.00 179.01 180.66 1ug0 n THR 27 N -4.05 0.22 -0.29 0.32 -1.04 0.10 -4.23 114.28 105.32 1ug0 n THR 27 Ca -0.02 -0.27 0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1ug0 n THR 27 Cb 0.51 0.11 0.23 0.00 -1.82 0.00 0.00 70.33 69.37 1ug0 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ug0 h ARG 28 N 0.00 0.13 -0.62 -2.82 1.12 -0.16 1.79 114.38 113.82 1ug0 h ARG 28 Ca 0.00 -0.01 0.18 0.00 -1.11 0.00 0.00 59.98 59.04 1ug0 h ARG 28 Cb 0.75 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.66 1ug0 h ARG 28 CO 0.00 0.09 0.45 0.00 -3.11 0.00 0.00 179.97 177.39 1ug0 h ARG 29 N 0.13 0.01 0.10 0.20 3.08 -1.74 0.77 114.38 116.94 1ug0 h ARG 29 Ca 0.50 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.19 1ug0 h ARG 29 Cb 0.96 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1ug0 h ARG 29 CO -0.70 0.01 -1.98 0.28 -1.07 0.00 0.00 179.97 176.51 1ug0 n VAL 30 N -4.36 1.73 0.36 2.04 0.31 0.52 -3.85 118.33 115.09 1ug0 n VAL 30 Ca 0.12 -0.58 -0.18 0.00 -0.01 0.00 0.00 64.34 63.68 1ug0 n VAL 30 Cb 0.69 -1.74 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 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 -0.05 0.19 -1.26 2.52 2.04 0.25 -1.23 117.51 119.95 1ug0 h ILE 31 Ca -0.44 0.00 0.37 0.00 1.00 0.00 0.00 64.86 65.79 1ug0 h ILE 31 Cb 1.95 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1ug0 h ILE 31 CO 0.04 0.00 0.91 -0.33 0.00 0.00 0.00 178.15 178.76 1ug0 h GLU 32 N -0.99 0.01 -0.09 2.37 5.08 0.30 0.60 114.58 121.85 1ug0 h GLU 32 Ca -0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ug0 h GLU 32 Cb 0.80 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ug0 h GLU 32 CO 0.08 0.00 0.04 -0.22 -1.00 0.00 0.00 179.01 177.92 1ug0 h LYS 33 N 0.01 0.13 0.66 2.33 1.63 -1.34 0.26 116.57 120.25 1ug0 h LYS 33 Ca 0.60 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.35 1ug0 h LYS 33 Cb 2.41 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 34.01 1ug0 h LYS 33 CO -0.01 0.22 -0.37 1.25 -3.45 0.00 0.00 179.45 177.09 1ug0 h LEU 34 N 0.01 -0.90 -0.50 5.20 5.85 0.49 0.94 115.31 126.41 1ug0 h LEU 34 Ca 0.03 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1ug0 h LEU 34 Cb 0.13 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1ug0 h LEU 34 CO -0.00 -0.58 -0.40 0.00 -0.34 0.00 0.00 178.44 177.11 1ug0 h ALA 35 N -1.44 -0.29 -0.18 1.25 0.00 -1.38 1.85 119.26 119.07 1ug0 h ALA 35 Ca -0.09 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ug0 h ALA 35 Cb 0.74 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1ug0 h ALA 35 CO 0.12 -0.80 0.30 -0.09 0.00 0.00 0.00 179.25 178.78 1ug0 h ARG 36 N -0.25 0.00 0.00 0.00 2.43 -0.35 0.65 114.38 116.86 1ug0 h ARG 36 Ca 0.17 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1ug0 h ARG 36 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1ug0 h ARG 36 CO -0.63 0.00 -1.45 0.34 -1.51 0.00 0.00 179.97 176.72 1ug0 n PHE 37 N -3.46 0.61 0.00 2.20 7.35 0.49 -3.71 117.46 120.95 1ug0 n PHE 37 Ca 0.02 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1ug0 n PHE 37 Cb 0.41 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.41 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 -2.57 0.00 -0.42 -2.13 0.31 0.51 -3.48 118.33 110.56 1ug0 n VAL 38 Ca -0.04 0.22 0.39 0.00 -0.01 0.00 0.00 64.34 64.90 1ug0 n VAL 38 Cb 0.62 -1.01 0.66 0.00 -0.91 0.00 0.00 33.84 33.21 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 h ALA 39 N -2.00 3.32 0.50 3.52 0.00 -0.32 1.39 119.26 125.67 1ug0 h ALA 39 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ug0 h ALA 39 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ug0 h ALA 39 CO 0.00 -1.94 -0.24 1.49 0.00 0.00 0.00 179.25 178.56 1ug0 h GLU 40 N 0.00 -0.64 0.00 0.00 4.57 -1.64 -3.40 114.58 113.47 1ug0 h GLU 40 Ca 0.67 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.89 1ug0 h GLU 40 Cb 3.09 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 31.82 1ug0 h GLU 40 CO -0.01 -0.43 -0.18 0.78 -1.18 0.00 0.00 179.01 177.99 1ug0 h GLY 41 N -0.95 0.00 0.00 1.92 0.00 -0.29 -3.45 103.07 100.30 1ug0 h GLY 41 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1ug0 h GLY 41 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1ug0 n GLY 42 N 1.72 0.13 0.12 4.60 0.00 0.43 -4.89 105.19 107.30 1ug0 n GLY 42 Ca -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 0.06 -0.95 1.61 0.13 -1.97 -3.15 132.00 127.73 1ug0 h PRO 43 Ca 0.00 -0.06 0.21 0.00 -0.87 0.00 0.00 66.00 65.29 1ug0 h PRO 43 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 1ug0 h PRO 43 CO 0.00 0.79 0.62 1.49 -0.23 0.00 0.00 178.00 180.67 1ug0 h GLU 44 N 0.04 0.47 0.17 0.86 4.57 -1.94 -0.37 114.58 118.38 1ug0 h GLU 44 Ca -0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1ug0 h GLU 44 Cb 1.34 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1ug0 h GLU 44 CO 0.10 0.31 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.09 1ug0 h LEU 45 N 0.49 -0.20 -1.72 1.64 -0.00 -1.84 -1.58 115.31 112.11 1ug0 h LEU 45 Ca 0.52 -0.33 0.11 0.00 -0.00 0.00 0.00 57.88 58.17 1ug0 h LEU 45 Cb 1.17 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1ug0 h LEU 45 CO -0.24 0.28 0.56 -0.08 -0.00 0.00 0.00 178.44 178.97 1ug0 h GLU 46 N -0.75 0.00 0.18 1.13 4.22 -1.20 1.45 114.58 119.61 1ug0 h GLU 46 Ca -0.02 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.08 1ug0 h GLU 46 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ug0 h GLU 46 CO 0.04 0.00 -1.65 0.87 -2.18 0.00 0.00 179.01 176.08 1ug0 h LYS 47 N 0.00 0.38 -0.12 1.92 1.57 -0.91 -3.20 116.57 116.20 1ug0 h LYS 47 Ca 0.17 -0.65 -0.21 0.00 -1.87 0.00 0.00 60.65 58.10 1ug0 h LYS 47 Cb 1.30 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1ug0 h LYS 47 CO -0.00 1.28 -0.75 0.28 -0.57 0.00 0.00 179.45 179.69 1ug0 h VAL 48 N 0.10 1.32 -0.83 0.50 2.07 0.17 -3.10 116.25 116.48 1ug0 h VAL 48 Ca -0.30 -2.05 0.10 0.00 0.82 0.00 0.00 66.70 65.26 1ug0 h VAL 48 Cb 2.09 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 33.82 1ug0 h VAL 48 CO 0.19 0.63 0.47 0.00 0.02 0.00 0.00 177.57 178.89 1ug0 h ALA 49 N 0.73 1.18 -0.03 1.67 0.00 0.14 0.54 119.26 123.50 1ug0 h ALA 49 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ug0 h ALA 49 Cb 1.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ug0 h ALA 49 CO 0.14 0.10 0.06 0.52 0.00 0.00 0.00 179.25 180.07 1ug0 h MET 50 N 0.79 0.00 0.07 0.00 2.07 -1.53 -1.16 114.93 115.17 1ug0 h MET 50 Ca 0.40 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.66 1ug0 h MET 50 Cb 0.37 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.06 1ug0 h MET 50 CO -0.25 0.00 -2.13 0.39 1.07 0.00 0.00 176.91 175.99 1ug0 n GLU 51 N -3.48 0.71 -0.19 1.72 1.02 0.12 -2.47 120.64 118.07 1ug0 n GLU 51 Ca -0.02 0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1ug0 n GLU 51 Cb 0.14 -1.64 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 1ug0 n GLU 51 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ug0 h ASP 52 N -0.05 0.09 -0.54 1.62 5.19 0.59 -1.01 116.42 122.31 1ug0 h ASP 52 Ca -0.48 0.09 -0.25 0.00 -0.62 0.00 0.00 57.03 55.77 1ug0 h ASP 52 Cb 1.93 0.10 -0.15 0.00 0.18 0.00 0.00 39.33 41.40 1ug0 h ASP 52 CO -0.00 0.06 0.15 -1.22 -3.12 0.00 0.00 179.24 175.10 1ug0 n TYR 53 N -5.07 1.70 -0.34 4.55 4.01 -0.51 -4.72 117.16 116.77 1ug0 n TYR 53 Ca 0.08 -1.56 0.15 0.00 -0.16 0.00 0.00 57.90 56.41 1ug0 n TYR 53 Cb 0.28 -0.61 0.30 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.22 0.00 -2.64 -0.72 3.64 -0.85 -1.23 116.57 115.99 1ug0 h LYS 54 Ca 0.31 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 59.05 1ug0 h LYS 54 Cb 2.01 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.43 1ug0 h LYS 54 CO 0.59 0.00 -0.40 -0.25 -2.27 0.00 0.00 179.45 177.12 1ug0 n ASP 55 N -5.49 3.88 -3.77 4.20 8.00 -1.26 -5.01 116.55 117.10 1ug0 n ASP 55 Ca 0.24 -3.35 -0.24 0.00 0.71 0.00 0.00 54.79 52.16 1ug0 n ASP 55 Cb 0.79 -0.80 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ug0 s ASN 56 N -1.86 1.73 0.00 -2.24 3.84 -0.47 -4.99 114.94 110.95 1ug0 s ASN 56 Ca 0.34 -0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.49 1ug0 s ASN 56 Cb 0.06 -0.47 1.42 0.00 -0.55 0.00 0.00 41.25 41.71 1ug0 s ASN 56 CO -0.06 -0.20 1.79 -0.81 -2.79 0.00 0.00 177.10 175.03 1ug0 n PRO 57 N 5.13 0.75 -0.13 0.43 -0.04 -1.26 -2.95 135.00 136.93 1ug0 n PRO 57 Ca -0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1ug0 n PRO 57 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.00 1.30 0.12 0.55 0.00 -1.26 -4.35 120.51 115.86 1ug0 n ALA 58 Ca 0.18 -1.10 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 1ug0 n ALA 58 Cb 0.08 0.01 0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.81 1.21 0.22 0.00 3.01 -1.16 -4.28 117.46 112.65 1ug0 n PHE 59 Ca -0.50 -0.99 0.08 0.00 1.01 0.00 0.00 57.45 57.04 1ug0 n PHE 59 Cb 0.93 -0.51 0.36 0.00 -0.01 0.00 0.00 39.48 40.25 1ug0 n PHE 59 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ug0 n THR 60 N -0.13 1.26 0.02 4.37 -2.24 -1.15 -1.53 114.28 114.87 1ug0 n THR 60 Ca 0.23 0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 62.36 1ug0 n THR 60 Cb 0.95 -1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1ug0 n THR 60 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1ug0 h PHE 61 N 0.00 0.83 0.00 4.78 -0.00 -1.90 -3.23 116.94 117.43 1ug0 h PHE 61 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.97 57.58 1ug0 h PHE 61 Cb 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 1ug0 h PHE 61 CO 0.00 1.20 0.00 -0.11 -0.00 0.00 0.00 178.31 179.40 1ug0 n LEU 62 N -3.86 0.00 0.00 2.10 7.94 -0.58 -2.43 117.00 120.16 1ug0 n LEU 62 Ca -0.07 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 1ug0 n LEU 62 Cb 0.77 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1ug0 n LEU 62 CO 0.52 -0.43 0.45 1.41 -1.11 0.00 0.00 177.39 178.23 1ug0 n HIS 63 N -2.70 0.00 -1.25 1.96 8.25 -1.25 -4.60 115.22 115.62 1ug0 n HIS 63 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1ug0 n HIS 63 Cb 0.00 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 30.72 1ug0 n HIS 63 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ug0 n ASP 64 N -2.24 -3.62 -2.07 0.41 8.00 -1.02 -4.90 116.55 111.11 1ug0 n ASP 64 Ca 0.00 0.65 -0.07 0.00 0.71 0.00 0.00 54.79 56.08 1ug0 n ASP 64 Cb 0.00 -0.86 0.06 0.00 -0.02 0.00 0.00 41.12 40.30 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 1.47 2.12 -1.97 -1.24 5.02 -1.26 -4.72 118.16 117.58 1ug0 n LYS 65 Ca 0.08 -3.50 -0.04 0.00 -2.02 0.00 0.00 58.31 52.83 1ug0 n LYS 65 Cb 0.47 -1.61 0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ug0 n ASN 66 N -0.55 -1.27 -4.37 4.39 0.23 -1.26 -5.11 115.26 107.32 1ug0 n ASN 66 Ca 0.21 -2.13 -0.33 0.00 -0.53 0.00 0.00 54.58 51.81 1ug0 n ASN 66 Cb 0.89 0.53 -0.14 0.00 -2.08 0.00 0.00 39.78 38.98 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ug0 s SER 67 N -1.07 3.88 0.51 0.53 0.15 -1.26 -4.98 113.70 111.45 1ug0 s SER 67 Ca 0.05 -0.33 0.38 0.00 0.70 0.00 0.00 55.95 56.75 1ug0 s SER 67 Cb 0.26 -1.40 1.54 0.00 -1.71 0.00 0.00 66.02 64.71 1ug0 s SER 67 CO -0.08 0.20 1.70 0.08 1.20 0.00 0.00 173.24 176.35 1ug0 h ARG 68 N 6.40 0.05 -0.44 5.44 -0.00 -2.00 1.09 114.38 124.93 1ug0 h ARG 68 Ca -0.29 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.66 1ug0 h ARG 68 Cb 1.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 31.14 1ug0 h ARG 68 CO 0.53 0.04 0.18 1.49 -0.00 0.00 0.00 179.97 182.21 1ug0 h GLU 69 N 0.06 0.66 0.00 0.08 4.81 -1.94 0.44 114.58 118.69 1ug0 h GLU 69 Ca 0.73 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1ug0 h GLU 69 Cb 2.71 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.99 1ug0 h GLU 69 CO -0.12 0.60 0.00 0.35 -0.73 0.00 0.00 179.01 179.12 1ug0 h PHE 70 N 0.57 0.00 0.00 0.92 3.57 0.94 -1.49 116.94 121.45 1ug0 h PHE 70 Ca 0.15 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1ug0 h PHE 70 Cb 0.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1ug0 h PHE 70 CO 0.00 0.00 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.34 1ug0 h LEU 71 N 0.00 0.00 -1.64 0.59 3.38 -0.82 -3.29 115.31 113.53 1ug0 h LEU 71 Ca 0.00 -0.41 0.11 0.00 0.09 0.00 0.00 57.88 57.67 1ug0 h LEU 71 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1ug0 h LEU 71 CO 0.00 1.09 0.42 0.22 0.09 0.00 0.00 178.44 180.26 1ug0 h TYR 72 N -1.00 0.43 -0.14 1.13 3.20 -0.78 0.17 116.97 119.98 1ug0 h TYR 72 Ca -0.15 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1ug0 h TYR 72 Cb 0.88 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1ug0 h TYR 72 CO 0.04 0.19 -0.15 -0.92 -1.64 0.00 0.00 178.16 175.69 1ug0 h TYR 73 N 0.39 0.24 0.11 -3.82 3.20 -1.42 -1.87 116.97 113.80 1ug0 h TYR 73 Ca 0.30 -0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.84 1ug0 h TYR 73 Cb 0.63 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1ug0 h TYR 73 CO -0.00 0.38 -1.45 0.00 -1.64 0.00 0.00 178.16 175.44 1ug0 h ARG 74 N 0.22 0.22 0.00 1.82 2.47 -0.85 -1.99 114.38 116.27 1ug0 h ARG 74 Ca 0.04 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.36 1ug0 h ARG 74 Cb 0.40 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1ug0 h ARG 74 CO 0.02 1.09 -0.12 0.00 0.56 0.00 0.00 179.97 181.52 1ug0 h ARG 75 N 0.06 0.00 0.10 0.04 2.47 -0.57 -2.36 114.38 114.12 1ug0 h ARG 75 Ca -0.21 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.16 1ug0 h ARG 75 Cb 1.99 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.29 1ug0 h ARG 75 CO 0.16 0.12 -1.90 0.87 0.56 0.00 0.00 179.97 179.78 1ug0 h LYS 76 N 0.00 0.22 -0.97 0.04 1.79 -1.40 -3.35 116.57 112.89 1ug0 h LYS 76 Ca -0.00 -0.37 0.23 0.00 -2.18 0.00 0.00 60.65 58.32 1ug0 h LYS 76 Cb 0.25 0.14 -0.12 0.00 -1.58 0.00 0.00 32.23 30.92 1ug0 h LYS 76 CO 0.02 1.07 0.54 0.28 -1.08 0.00 0.00 179.45 180.27 1ug0 h VAL 77 N 0.06 0.55 0.00 0.50 2.07 -0.86 1.62 116.25 120.19 1ug0 h VAL 77 Ca -0.38 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ug0 h VAL 77 Cb 2.03 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ug0 h VAL 77 CO 0.10 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 1ug0 h ALA 78 N 1.71 1.93 0.32 1.67 0.00 -1.59 1.13 119.26 124.42 1ug0 h ALA 78 Ca 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1ug0 h ALA 78 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ug0 h ALA 78 CO -0.47 0.04 -0.15 1.49 0.00 0.00 0.00 179.25 180.15 1ug0 h GLU 79 N 0.00 -0.42 -0.55 0.00 4.22 0.22 -2.97 114.58 115.08 1ug0 h GLU 79 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1ug0 h GLU 79 Cb 0.05 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1ug0 h GLU 79 CO 0.00 -0.28 0.35 0.97 -2.18 0.00 0.00 179.01 177.88 1ug0 h ILE 80 N -0.96 1.15 -0.05 2.32 -0.00 -1.05 -2.80 117.51 116.12 1ug0 h ILE 80 Ca -0.04 -0.29 0.02 0.00 -0.00 0.00 0.00 64.86 64.55 1ug0 h ILE 80 Cb 0.33 0.35 -0.05 0.00 -0.00 0.00 0.00 36.82 37.45 1ug0 h ILE 80 CO 0.07 0.14 -0.51 0.03 -0.00 0.00 0.00 178.15 177.89 1ug0 h ARG 81 N 0.74 -0.58 -0.89 2.19 2.47 0.13 -1.48 114.38 116.97 1ug0 h ARG 81 Ca 0.20 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 59.06 1ug0 h ARG 81 Cb -0.07 0.13 -0.12 0.00 -1.65 0.00 0.00 29.97 28.26 1ug0 h ARG 81 CO -0.04 -0.38 -0.53 -0.22 0.56 0.00 0.00 179.97 179.36 1ug0 h LYS 82 N -0.60 -0.07 -4.32 0.04 3.11 -1.32 -3.31 116.57 110.10 1ug0 h LYS 82 Ca 0.02 0.00 -0.62 0.00 -2.81 0.00 0.00 60.65 57.24 1ug0 h LYS 82 Cb 0.66 0.02 -0.39 0.00 -1.00 0.00 0.00 32.23 31.52 1ug0 h LYS 82 CO -0.36 -0.05 -0.76 -1.12 -2.81 0.00 0.00 179.45 174.35 1ug0 s SER 83 N -5.38 4.19 0.00 4.20 0.01 -0.76 -5.00 113.70 110.96 1ug0 s SER 83 Ca -0.13 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1ug0 s SER 83 Cb 0.13 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1ug0 s SER 83 CO 0.64 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1ug0 n GLY 84 N 4.57 0.50 3.76 3.44 0.00 -0.63 -4.56 105.19 112.28 1ug0 n GLY 84 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1ug0 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug0 s PRO 85 N 0.00 -0.32 -0.37 1.61 0.04 -1.26 -5.07 135.00 129.63 1ug0 s PRO 85 Ca 0.00 -0.25 0.02 0.00 0.04 0.00 0.00 61.00 60.81 1ug0 s PRO 85 Cb 0.00 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.97 1ug0 s PRO 85 CO 0.00 -3.08 0.31 0.45 0.04 0.00 0.00 177.00 174.72 1ug0 s SER 86 N -4.41 1.87 0.00 6.66 0.15 -1.26 -4.96 113.70 111.76 1ug0 s SER 86 Ca 0.73 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1ug0 s SER 86 Cb -0.07 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1ug0 s SER 86 CO 0.54 -0.27 0.00 -1.54 1.20 0.00 0.00 173.24 173.17 1ug0 n SER 87 N 4.08 0.00 0.00 5.45 3.41 -1.26 -5.34 113.62 119.96 1ug0 n SER 87 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1ug0 n SER 87 Cb 0.42 0.24 0.14 0.00 -0.26 0.00 0.00 64.21 64.74 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49