#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 -6.53 -3.65 1.61 3.41 -1.26 -5.03 113.62 102.18 1ug0 n SER 2 Ca 0.00 0.84 -0.01 0.00 -0.26 0.00 0.00 58.87 59.44 1ug0 n SER 2 Cb 0.00 -2.78 -0.05 0.00 -0.26 0.00 0.00 64.21 61.12 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ug0 s SER 3 N -0.92 -0.00 0.07 4.04 0.01 -1.26 -5.18 113.70 110.47 1ug0 s SER 3 Ca -0.03 0.00 0.08 0.00 1.31 0.00 0.00 55.95 57.31 1ug0 s SER 3 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1ug0 s SER 3 CO 0.26 -0.00 -0.21 -0.83 0.41 0.00 0.00 173.24 172.86 1ug0 s GLY 4 N -0.65 1.19 0.19 3.44 0.00 -1.26 -5.14 107.32 105.08 1ug0 s GLY 4 Ca 0.09 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.49 1ug0 s GLY 4 CO -0.12 -1.12 0.49 -0.45 0.00 0.00 0.00 173.10 171.90 1ug0 s SER 5 N -1.54 -0.24 -0.17 1.64 0.15 -1.26 -5.16 113.70 107.13 1ug0 s SER 5 Ca 0.07 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 1ug0 s SER 5 Cb -0.09 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1ug0 s SER 5 CO 0.03 -1.02 0.11 -0.44 1.20 0.00 0.00 173.24 173.12 1ug0 s SER 6 N -2.87 6.08 0.00 5.45 0.01 -1.26 -4.64 113.70 116.47 1ug0 s SER 6 Ca 0.09 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1ug0 s SER 6 Cb -0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1ug0 s SER 6 CO -0.04 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1ug0 n GLY 7 N 3.01 0.77 0.90 3.44 0.00 -1.26 -5.07 105.19 106.98 1ug0 n GLY 7 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.43 0.00 -0.66 1.61 4.07 -1.26 -4.82 120.64 119.14 1ug0 n GLU 8 Ca 0.00 0.00 0.50 0.00 -0.06 0.00 0.00 57.16 57.60 1ug0 n GLU 8 Cb 0.16 0.00 0.77 0.00 -0.06 0.00 0.00 31.44 32.31 1ug0 n GLU 8 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1ug0 n GLU 9 N -1.78 -0.00 -0.43 5.31 0.28 -1.26 0.13 120.64 122.90 1ug0 n GLU 9 Ca 0.00 1.03 0.40 0.00 -0.16 0.00 0.00 57.16 58.43 1ug0 n GLU 9 Cb 0.00 -2.36 0.70 0.00 1.43 0.00 0.00 31.44 31.21 1ug0 n GLU 9 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1ug0 h ASP 10 N 0.00 0.00 -0.05 -1.84 2.03 -2.00 1.26 116.42 115.83 1ug0 h ASP 10 Ca 0.89 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 57.20 1ug0 h ASP 10 Cb 3.53 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 42.02 1ug0 h ASP 10 CO -0.03 0.00 0.45 0.10 -1.03 0.00 0.00 179.24 178.73 1ug0 h TYR 11 N 0.00 0.00 0.00 4.15 -0.00 0.78 1.29 116.97 123.19 1ug0 h TYR 11 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.41 1ug0 h TYR 11 Cb 3.02 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.75 1ug0 h TYR 11 CO 0.00 0.00 -1.85 -0.85 -0.00 0.00 0.00 178.16 175.46 1ug0 n GLU 12 N -2.91 0.58 0.03 0.10 0.28 0.43 -3.73 120.64 115.43 1ug0 n GLU 12 Ca -0.01 -0.17 0.05 0.00 -0.16 0.00 0.00 57.16 56.88 1ug0 n GLU 12 Cb 0.51 -1.51 0.24 0.00 1.43 0.00 0.00 31.44 32.11 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 -2.15 0.04 0.06 3.44 -0.00 0.44 -1.11 117.38 118.10 1ug0 n GLN 13 Ca -0.03 0.41 -0.20 0.00 -0.00 0.00 0.00 57.00 57.19 1ug0 n GLN 13 Cb 0.53 -1.59 -0.15 0.00 -0.00 0.00 0.00 30.24 29.03 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 0.57 -0.79 2.61 4.06 -1.69 -3.33 115.95 117.37 1ug0 h TRP 14 Ca 0.00 -0.41 0.05 0.00 2.06 0.00 0.00 58.89 60.58 1ug0 h TRP 14 Cb 0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.22 1ug0 h TRP 14 CO 0.00 1.55 0.49 1.25 -3.56 0.00 0.00 178.44 178.18 1ug0 h LEU 15 N 0.09 0.78 -1.02 -4.49 5.85 -1.33 -1.17 115.31 114.02 1ug0 h LEU 15 Ca -0.32 0.01 0.33 0.00 0.84 0.00 0.00 57.88 58.75 1ug0 h LEU 15 Cb 2.06 -0.16 -0.15 0.00 0.37 0.00 0.00 40.66 42.79 1ug0 h LEU 15 CO 0.16 0.52 0.58 -0.33 -0.34 0.00 0.00 178.44 179.02 1ug0 h GLU 16 N 0.92 0.28 -4.00 1.25 5.08 -1.62 -3.07 114.58 113.43 1ug0 h GLU 16 Ca 0.34 -0.02 -0.69 0.00 -1.00 0.00 0.00 59.36 57.99 1ug0 h GLU 16 Cb 0.11 -0.06 -0.36 0.00 0.50 0.00 0.00 28.75 28.94 1ug0 h GLU 16 CO -0.15 0.19 -0.48 0.96 -1.00 0.00 0.00 179.01 178.53 1ug0 s ILE 17 N -5.64 3.36 1.27 3.13 -5.25 -0.44 -5.09 121.20 112.54 1ug0 s ILE 17 Ca -0.10 -2.59 -0.17 0.00 -0.99 0.00 0.00 60.65 56.80 1ug0 s ILE 17 Cb 0.30 -3.26 0.32 0.00 2.95 0.00 0.00 42.46 42.77 1ug0 s ILE 17 CO 0.79 -0.78 1.00 -0.54 -1.79 0.00 0.00 174.94 173.61 1ug0 s LYS 18 N 0.46 -1.75 0.20 0.37 -0.14 -1.16 -4.90 119.74 112.82 1ug0 s LYS 18 Ca 0.13 0.44 -0.11 0.00 -1.36 0.00 0.00 55.97 55.07 1ug0 s LYS 18 Cb -0.22 -1.49 -0.07 0.00 -1.68 0.00 0.00 37.83 34.37 1ug0 s LYS 18 CO -0.04 -4.17 0.53 0.14 -0.76 0.00 0.00 175.35 171.06 1ug0 s VAL 19 N -2.46 4.93 0.22 3.17 -7.23 -1.26 -5.09 120.40 112.69 1ug0 s VAL 19 Ca 0.69 0.54 0.04 0.00 -1.81 0.00 0.00 61.98 61.44 1ug0 s VAL 19 Cb -0.19 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 1ug0 s VAL 19 CO 0.61 0.03 0.36 -0.44 -0.31 0.00 0.00 175.10 175.35 1ug0 s SER 20 N -2.17 6.33 1.01 4.85 0.01 -1.26 -4.32 113.70 118.14 1ug0 s SER 20 Ca 0.44 0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.69 1ug0 s SER 20 Cb -0.12 -1.89 0.20 0.00 0.21 0.00 0.00 66.02 64.41 1ug0 s SER 20 CO 0.21 -0.06 1.18 -2.16 0.41 0.00 0.00 173.24 172.82 1ug0 s PRO 21 N -3.79 0.33 0.00 12.44 0.04 -1.26 -4.67 135.00 138.09 1ug0 s PRO 21 Ca 0.35 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.52 1ug0 s PRO 21 Cb -0.10 -1.77 0.85 0.00 0.04 0.00 0.00 34.50 33.52 1ug0 s PRO 21 CO 0.29 -2.68 1.37 -0.35 0.04 0.00 0.00 177.00 175.67 1ug0 n PRO 22 N -4.05 0.75 0.21 0.56 -0.04 -1.26 -2.82 135.00 128.35 1ug0 n PRO 22 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1ug0 n PRO 22 Cb 0.59 -1.30 0.47 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.65 114.58 115.60 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 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1ug0 n GLY 24 N 0.49 -1.31 0.27 -3.84 0.00 -1.13 -2.81 105.19 96.85 1ug0 n GLY 24 Ca 0.02 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 2.53 1.12 0.01 4.61 0.00 -1.73 1.65 119.26 127.45 1ug0 h ALA 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1ug0 h ALA 25 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ug0 h ALA 25 CO 0.00 -0.12 -1.31 1.49 0.00 0.00 0.00 179.25 179.31 1ug0 h GLU 26 N 0.00 0.02 0.00 0.00 4.81 -1.77 -3.33 114.58 114.31 1ug0 h GLU 26 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1ug0 h GLU 26 Cb 0.28 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ug0 h GLU 26 CO 0.00 0.82 -1.66 2.41 -0.73 0.00 0.00 179.01 179.85 1ug0 n THR 27 N -3.24 0.35 0.13 0.32 -1.04 0.18 -4.13 114.28 106.85 1ug0 n THR 27 Ca -0.08 -0.55 0.18 0.00 -2.04 0.00 0.00 64.05 61.57 1ug0 n THR 27 Cb 0.99 -0.18 0.65 0.00 -1.82 0.00 0.00 70.33 69.97 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 0.20 1.70 114.38 113.46 1ug0 h ARG 28 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.79 1ug0 h ARG 28 Cb 1.10 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.05 1ug0 h ARG 28 CO 0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 179.97 179.25 1ug0 h ARG 29 N 0.00 0.00 0.00 0.08 3.08 -1.76 -1.39 114.38 114.39 1ug0 h ARG 29 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ug0 h ARG 29 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1ug0 h ARG 29 CO -0.00 0.73 -1.05 1.55 -1.07 0.00 0.00 179.97 180.13 1ug0 n VAL 30 N -3.59 0.11 -0.03 2.04 3.14 0.54 -4.15 118.33 116.38 1ug0 n VAL 30 Ca -0.01 -0.19 -0.18 0.00 -2.96 0.00 0.00 64.34 61.00 1ug0 n VAL 30 Cb 0.73 0.35 -0.13 0.00 -1.06 0.00 0.00 33.84 33.72 1ug0 n VAL 30 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1ug0 h ILE 31 N 0.00 1.48 -0.82 1.55 2.04 -0.18 -3.29 117.51 118.30 1ug0 h ILE 31 Ca 0.00 -2.39 0.24 0.00 1.00 0.00 0.00 64.86 63.71 1ug0 h ILE 31 Cb 0.69 3.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 1ug0 h ILE 31 CO 0.00 0.61 0.64 -0.08 0.00 0.00 0.00 178.15 179.32 1ug0 h GLU 32 N -0.72 0.00 0.04 2.37 4.81 -1.42 0.13 114.58 119.78 1ug0 h GLU 32 Ca -0.13 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1ug0 h GLU 32 Cb 1.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1ug0 h GLU 32 CO 0.02 0.00 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.94 1ug0 h LYS 33 N 0.00 -0.25 0.29 1.92 1.63 -1.72 0.32 116.57 118.76 1ug0 h LYS 33 Ca 0.39 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.19 1ug0 h LYS 33 Cb 1.66 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1ug0 h LYS 33 CO -0.00 -0.17 -0.14 1.25 -3.45 0.00 0.00 179.45 176.94 1ug0 h LEU 34 N -0.26 -0.33 -0.81 5.20 6.46 -0.93 0.11 115.31 124.76 1ug0 h LEU 34 Ca 0.04 -0.11 0.20 0.00 -0.12 0.00 0.00 57.88 57.88 1ug0 h LEU 34 Cb 0.30 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.18 1ug0 h LEU 34 CO -0.11 -0.08 0.06 0.00 -0.62 0.00 0.00 178.44 177.69 1ug0 h ALA 35 N 0.07 0.94 0.00 1.25 0.00 -1.12 1.92 119.26 122.32 1ug0 h ALA 35 Ca -0.04 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ug0 h ALA 35 Cb 0.42 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ug0 h ALA 35 CO 0.06 -0.44 -0.36 -0.09 0.00 0.00 0.00 179.25 178.42 1ug0 h ARG 36 N 0.12 0.00 0.08 0.00 2.43 -0.12 -1.44 114.38 115.46 1ug0 h ARG 36 Ca 0.46 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.43 1ug0 h ARG 36 Cb 0.86 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1ug0 h ARG 36 CO -0.69 0.36 -0.84 0.35 -1.51 0.00 0.00 179.97 177.64 1ug0 h PHE 37 N 0.00 0.70 0.00 2.20 3.57 0.42 -2.90 116.94 120.93 1ug0 h PHE 37 Ca -0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1ug0 h PHE 37 Cb 0.69 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1ug0 h PHE 37 CO 0.00 1.29 0.00 0.28 -2.23 0.00 0.00 178.31 177.65 1ug0 n VAL 38 N -4.08 0.00 -0.65 1.41 0.31 0.53 -2.38 118.33 113.47 1ug0 n VAL 38 Ca -0.12 0.91 0.49 0.00 -0.01 0.00 0.00 64.34 65.61 1ug0 n VAL 38 Cb 0.81 -1.74 0.77 0.00 -0.91 0.00 0.00 33.84 32.76 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 -1.16 1.75 0.12 3.52 0.00 -0.55 0.15 120.51 124.33 1ug0 n ALA 39 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 1ug0 n ALA 39 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1ug0 n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ug0 h GLU 40 N 0.00 -0.31 0.00 0.00 4.39 -1.39 -3.38 114.58 113.89 1ug0 h GLU 40 Ca 0.89 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.53 1ug0 h GLU 40 Cb 3.50 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 32.21 1ug0 h GLU 40 CO -0.07 -0.21 -0.56 0.78 -1.16 0.00 0.00 179.01 177.80 1ug0 h GLY 41 N -0.32 0.00 0.00 -3.84 0.00 -0.04 -3.51 103.07 95.35 1ug0 h GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ug0 h GLY 41 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1ug0 n GLY 42 N 1.57 0.46 0.13 4.60 0.00 0.40 -4.84 105.19 107.51 1ug0 n GLY 42 Ca -0.16 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 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 0.15 -0.80 1.61 0.13 -1.97 -3.12 132.00 128.00 1ug0 h PRO 43 Ca 0.00 -0.15 0.18 0.00 -0.87 0.00 0.00 66.00 65.17 1ug0 h PRO 43 Cb 0.00 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1ug0 h PRO 43 CO 0.00 0.86 0.54 0.93 -0.23 0.00 0.00 178.00 180.11 1ug0 h GLU 44 N 0.09 0.30 0.33 0.86 5.08 -1.94 -1.16 114.58 118.15 1ug0 h GLU 44 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ug0 h GLU 44 Cb 1.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ug0 h GLU 44 CO 0.12 0.20 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.10 1ug0 h LEU 45 N 0.31 -0.38 -1.75 1.33 -0.00 -1.87 -1.64 115.31 111.31 1ug0 h LEU 45 Ca 0.40 -0.12 0.42 0.00 -0.00 0.00 0.00 57.88 58.59 1ug0 h LEU 45 Cb 1.10 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.78 1ug0 h LEU 45 CO -0.11 0.08 0.98 -0.08 -0.00 0.00 0.00 178.44 179.31 1ug0 h GLU 46 N -1.02 0.07 0.15 1.13 4.22 -1.36 1.39 114.58 119.16 1ug0 h GLU 46 Ca -0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 1ug0 h GLU 46 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ug0 h GLU 46 CO 0.07 0.05 -0.07 0.87 -2.18 0.00 0.00 179.01 177.75 1ug0 h LYS 47 N 0.08 -0.19 -0.55 1.92 1.57 -1.18 -2.94 116.57 115.27 1ug0 h LYS 47 Ca 0.74 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.59 1ug0 h LYS 47 Cb 2.66 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 34.96 1ug0 h LYS 47 CO -0.16 0.20 0.27 0.28 -0.57 0.00 0.00 179.45 179.47 1ug0 h VAL 48 N -0.94 0.93 -0.50 0.50 2.07 0.62 -2.01 116.25 116.92 1ug0 h VAL 48 Ca -0.02 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1ug0 h VAL 48 Cb 0.48 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1ug0 h VAL 48 CO 0.03 0.09 -0.32 0.00 0.02 0.00 0.00 177.57 177.40 1ug0 h ALA 49 N 1.31 -0.08 0.00 1.67 0.00 0.16 1.59 119.26 123.91 1ug0 h ALA 49 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ug0 h ALA 49 Cb 0.18 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ug0 h ALA 49 CO -0.19 -0.68 0.36 0.52 0.00 0.00 0.00 179.25 179.25 1ug0 h MET 50 N -0.19 0.00 0.03 0.00 2.07 -1.17 0.21 114.93 115.87 1ug0 h MET 50 Ca 0.21 0.00 -0.38 0.00 -2.07 0.00 0.00 59.70 57.46 1ug0 h MET 50 Cb 0.54 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.22 1ug0 h MET 50 CO -0.61 0.00 -2.18 -1.91 1.07 0.00 0.00 176.91 173.28 1ug0 n GLU 51 N -2.83 0.64 -0.26 1.72 4.07 0.46 -2.50 120.64 121.95 1ug0 n GLU 51 Ca -0.02 0.28 -0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1ug0 n GLU 51 Cb 0.40 -1.59 0.12 0.00 -0.06 0.00 0.00 31.44 30.30 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ug0 h ASP 52 N -0.44 0.63 -0.58 4.31 1.82 0.27 -2.10 116.42 120.32 1ug0 h ASP 52 Ca -0.54 0.03 -0.38 0.00 -0.39 0.00 0.00 57.03 55.75 1ug0 h ASP 52 Cb 1.75 -0.09 -0.24 0.00 0.68 0.00 0.00 39.33 41.42 1ug0 h ASP 52 CO -0.17 0.40 -0.16 -1.22 -1.61 0.00 0.00 179.24 176.48 1ug0 n TYR 53 N -4.75 1.95 -0.34 0.28 4.01 0.54 -4.73 117.16 114.13 1ug0 n TYR 53 Ca 0.10 -2.04 0.17 0.00 -0.16 0.00 0.00 57.90 55.97 1ug0 n TYR 53 Cb 0.19 -0.61 0.39 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.53 0.58 -3.16 -0.72 3.64 -1.07 -2.97 116.57 114.41 1ug0 h LYS 54 Ca 0.33 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 59.05 1ug0 h LYS 54 Cb 1.48 -0.13 -0.42 0.00 -0.41 0.00 0.00 32.23 32.75 1ug0 h LYS 54 CO 0.70 0.39 -0.58 -0.51 -2.27 0.00 0.00 179.45 177.18 1ug0 s ASP 55 N -5.32 4.72 -0.07 4.20 1.01 -1.26 -5.02 116.67 114.93 1ug0 s ASP 55 Ca -0.10 -3.65 -0.00 0.00 0.71 0.00 0.00 52.55 49.50 1ug0 s ASP 55 Cb 0.26 -1.64 0.03 0.00 1.01 0.00 0.00 42.92 42.57 1ug0 s ASP 55 CO 0.80 -0.12 -0.03 0.21 0.21 0.00 0.00 175.17 176.24 1ug0 s ASN 56 N -1.16 1.52 0.24 0.27 3.84 -1.12 -5.00 114.94 113.54 1ug0 s ASN 56 Ca 0.23 -0.14 0.25 0.00 0.21 0.00 0.00 52.86 53.41 1ug0 s ASN 56 Cb -0.10 -0.52 0.90 0.00 -0.55 0.00 0.00 41.25 40.98 1ug0 s ASN 56 CO -0.12 -0.14 1.75 -0.81 -2.79 0.00 0.00 177.10 174.99 1ug0 n PRO 57 N 4.79 0.24 -0.14 0.43 -0.04 -1.26 -2.71 135.00 136.31 1ug0 n PRO 57 Ca -0.13 0.33 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 1ug0 n PRO 57 Cb 0.50 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.79 1.16 -0.35 0.55 0.00 -1.26 -4.39 120.51 114.42 1ug0 n ALA 58 Ca 0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 53.44 52.37 1ug0 n ALA 58 Cb 0.33 0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -4.26 0.60 0.44 0.00 3.01 -1.23 -4.23 117.46 111.77 1ug0 n PHE 59 Ca -0.52 -1.23 0.11 0.00 1.01 0.00 0.00 57.45 56.82 1ug0 n PHE 59 Cb 0.87 -0.61 0.46 0.00 -0.01 0.00 0.00 39.48 40.19 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 0.84 0.84 0.36 4.37 -2.24 -1.10 -2.15 114.28 115.20 1ug0 n THR 60 Ca 0.12 0.20 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 1ug0 n THR 60 Cb 0.58 -1.09 0.52 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.00 -0.12 4.78 -0.00 -1.87 -1.00 116.94 118.74 1ug0 h PHE 61 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1ug0 h PHE 61 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 1ug0 h PHE 61 CO 0.00 0.00 0.05 -0.07 -0.00 0.00 0.00 178.31 178.29 1ug0 h LEU 62 N 0.00 0.16 0.00 2.10 4.07 -1.80 -2.99 115.31 116.85 1ug0 h LEU 62 Ca 0.00 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.68 1ug0 h LEU 62 Cb 0.33 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1ug0 h LEU 62 CO 0.00 0.26 -1.05 1.12 -1.08 0.00 0.00 178.44 177.69 1ug0 h HIS 63 N 0.04 0.00 -1.51 1.13 2.07 -1.73 -3.43 115.15 111.73 1ug0 h HIS 63 Ca 0.04 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 57.13 1ug0 h HIS 63 Cb 0.15 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.09 1ug0 h HIS 63 CO -0.02 0.51 1.12 0.34 -3.07 0.00 0.00 177.93 176.80 1ug0 s ASP 64 N -6.00 5.35 -0.40 3.10 -1.08 -0.40 -4.82 116.67 112.43 1ug0 s ASP 64 Ca -0.00 -0.17 -0.03 0.00 -0.52 0.00 0.00 52.55 51.82 1ug0 s ASP 64 Cb 0.08 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 39.08 1ug0 s ASP 64 CO 0.79 -2.43 2.65 0.29 0.52 0.00 0.00 175.17 176.98 1ug0 n LYS 65 N 9.07 2.24 0.00 4.34 4.01 -1.26 -3.63 118.16 132.93 1ug0 n LYS 65 Ca 0.27 -2.10 0.00 0.00 -0.51 0.00 0.00 58.31 55.97 1ug0 n LYS 65 Cb 0.50 -2.02 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ug0 n ASN 66 N 0.83 0.00 -4.87 4.39 0.23 -1.26 -5.13 115.26 109.45 1ug0 n ASN 66 Ca 0.44 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 54.23 1ug0 n ASN 66 Cb 0.58 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.26 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ug0 s SER 67 N 0.00 4.58 0.16 0.53 1.04 -1.24 -5.04 113.70 113.73 1ug0 s SER 67 Ca 0.00 -1.25 0.23 0.00 0.48 0.00 0.00 55.95 55.41 1ug0 s SER 67 Cb 0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ug0 s SER 67 CO 0.00 -1.00 1.07 -2.11 0.98 0.00 0.00 173.24 172.18 1ug0 n ARG 68 N -1.65 0.51 0.01 4.02 1.85 -1.26 -3.28 116.66 116.87 1ug0 n ARG 68 Ca -0.03 0.09 0.11 0.00 -1.00 0.00 0.00 57.85 57.01 1ug0 n ARG 68 Cb 0.64 -1.76 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 1ug0 n ARG 68 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1ug0 n GLU 69 N -2.47 0.21 0.03 2.89 0.28 -1.26 -3.57 120.64 116.75 1ug0 n GLU 69 Ca 0.01 -0.02 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 1ug0 n GLU 69 Cb 0.52 -1.55 -0.08 0.00 1.43 0.00 0.00 31.44 31.76 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ug0 n PHE 70 N -1.80 0.85 -0.06 -1.84 7.35 -1.25 -3.49 117.46 117.22 1ug0 n PHE 70 Ca 0.02 0.28 -0.09 0.00 -0.76 0.00 0.00 57.45 56.90 1ug0 n PHE 70 Cb 0.41 -1.02 -0.08 0.00 0.35 0.00 0.00 39.48 39.14 1ug0 n PHE 70 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ug0 h LEU 71 N 0.00 -0.00 -1.37 -2.13 3.38 -1.69 -3.31 115.31 110.18 1ug0 h LEU 71 Ca -0.15 -0.62 0.16 0.00 0.09 0.00 0.00 57.88 57.36 1ug0 h LEU 71 Cb 1.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.16 1ug0 h LEU 71 CO 0.03 0.80 0.56 0.22 0.09 0.00 0.00 178.44 180.15 1ug0 h TYR 72 N -1.00 0.72 -0.72 1.13 3.20 -1.75 -0.43 116.97 118.12 1ug0 h TYR 72 Ca -0.00 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1ug0 h TYR 72 Cb 0.63 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 1ug0 h TYR 72 CO 0.17 0.25 0.31 -0.92 -1.64 0.00 0.00 178.16 176.33 1ug0 h TYR 73 N 0.59 0.54 0.00 -3.82 3.20 -1.65 0.53 116.97 116.36 1ug0 h TYR 73 Ca 0.44 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1ug0 h TYR 73 Cb 0.82 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1ug0 h TYR 73 CO -0.00 0.13 0.00 0.54 -1.64 0.00 0.00 178.16 177.18 1ug0 n ARG 74 N -4.95 0.10 0.12 1.82 1.74 -0.23 -2.01 116.66 113.25 1ug0 n ARG 74 Ca 0.12 0.13 0.08 0.00 -0.77 0.00 0.00 57.85 57.41 1ug0 n ARG 74 Cb 0.35 -1.63 0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1ug0 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ug0 h ARG 75 N 0.00 0.00 0.11 5.56 2.47 0.54 -3.29 114.38 119.78 1ug0 h ARG 75 Ca 0.00 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.36 1ug0 h ARG 75 Cb 0.55 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1ug0 h ARG 75 CO 0.00 0.10 -2.02 1.63 0.56 0.00 0.00 179.97 180.24 1ug0 n LYS 76 N -2.85 0.75 -0.27 0.04 4.76 0.32 -3.94 118.16 116.96 1ug0 n LYS 76 Ca -0.01 0.26 0.07 0.00 -2.87 0.00 0.00 58.31 55.76 1ug0 n LYS 76 Cb 0.62 -1.69 0.21 0.00 -1.84 0.00 0.00 35.03 32.33 1ug0 n LYS 76 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1ug0 h VAL 77 N 0.04 0.63 -0.65 -0.18 -1.51 -1.54 0.30 116.25 113.34 1ug0 h VAL 77 Ca -0.44 -0.16 0.06 0.00 -1.23 0.00 0.00 66.70 64.94 1ug0 h VAL 77 Cb 2.00 0.13 -0.05 0.00 -2.13 0.00 0.00 31.29 31.24 1ug0 h VAL 77 CO 0.07 0.08 0.36 0.00 -1.23 0.00 0.00 177.57 176.84 1ug0 h ALA 78 N 1.58 0.87 0.76 5.19 0.00 -1.71 2.65 119.26 128.59 1ug0 h ALA 78 Ca 0.45 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1ug0 h ALA 78 Cb 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ug0 h ALA 78 CO -0.42 0.02 -0.46 1.49 0.00 0.00 0.00 179.25 179.88 1ug0 h GLU 79 N 0.66 -1.09 -0.67 0.00 4.57 -0.56 -2.60 114.58 114.88 1ug0 h GLU 79 Ca 0.29 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 1ug0 h GLU 79 Cb 0.19 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1ug0 h GLU 79 CO -0.19 -0.73 0.31 0.97 -1.18 0.00 0.00 179.01 178.20 1ug0 h ILE 80 N -1.14 1.23 -0.92 2.32 -0.00 -0.89 -2.80 117.51 115.32 1ug0 h ILE 80 Ca -0.10 -0.66 0.18 0.00 -0.00 0.00 0.00 64.86 64.27 1ug0 h ILE 80 Cb 0.91 0.42 -0.17 0.00 -0.00 0.00 0.00 36.82 37.98 1ug0 h ILE 80 CO 0.11 0.27 -0.25 0.54 -0.00 0.00 0.00 178.15 178.82 1ug0 n ARG 81 N -4.45 -0.10 -1.65 2.19 5.12 0.89 -4.42 116.66 114.24 1ug0 n ARG 81 Ca 0.05 1.43 -0.62 0.00 -1.93 0.00 0.00 57.85 56.78 1ug0 n ARG 81 Cb 0.14 -2.14 -0.09 0.00 -1.16 0.00 0.00 32.46 29.21 1ug0 n ARG 81 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1ug0 n LYS 82 N -5.48 0.21 0.01 5.56 -0.00 -1.00 -4.40 118.16 113.07 1ug0 n LYS 82 Ca 0.14 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1ug0 n LYS 82 Cb 0.45 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 1ug0 n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ug0 n SER 83 N 3.15 -0.14 0.00 -5.58 2.88 -1.26 -5.06 113.62 107.61 1ug0 n SER 83 Ca 0.26 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1ug0 n SER 83 Cb 0.03 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug0 n GLY 84 N -1.23 5.62 3.78 0.46 0.00 -1.26 -5.03 105.19 107.52 1ug0 n GLY 84 Ca 0.00 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 1.03 0.51 -0.29 1.61 0.04 -1.26 -5.01 135.00 131.63 1ug0 s PRO 85 Ca 0.00 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 60.93 1ug0 s PRO 85 Cb 0.00 -1.79 0.17 0.00 0.04 0.00 0.00 34.50 32.92 1ug0 s PRO 85 CO 0.00 -2.58 1.08 0.45 0.04 0.00 0.00 177.00 175.99 1ug0 s SER 86 N -4.20 -0.35 -0.30 6.66 0.15 -1.26 -5.08 113.70 109.32 1ug0 s SER 86 Ca 0.68 0.55 -0.19 0.00 0.70 0.00 0.00 55.95 57.68 1ug0 s SER 86 Cb -0.11 1.18 0.20 0.00 -1.71 0.00 0.00 66.02 65.58 1ug0 s SER 86 CO 0.54 -0.09 1.33 -0.55 1.20 0.00 0.00 173.24 175.67 1ug0 s SER 87 N 1.36 -0.06 0.00 5.45 0.15 -1.26 -5.27 113.70 114.07 1ug0 s SER 87 Ca -0.08 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1ug0 s SER 87 Cb -0.03 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1ug0 s SER 87 CO -0.13 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.90