#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 -6.41 -3.69 1.61 7.64 -1.26 -5.07 113.62 106.44 1ug0 n SER 2 Ca 0.00 1.11 -0.02 0.00 1.01 0.00 0.00 58.87 60.97 1ug0 n SER 2 Cb 0.00 -3.95 -0.01 0.00 -1.01 0.00 0.00 64.21 59.24 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug0 s SER 3 N -6.66 -0.16 -0.28 6.43 0.01 -1.26 -5.17 113.70 106.61 1ug0 s SER 3 Ca 0.00 -0.28 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 1ug0 s SER 3 Cb 0.00 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.69 1ug0 s SER 3 CO 0.00 -0.68 0.73 -0.83 0.41 0.00 0.00 173.24 172.86 1ug0 s GLY 4 N -2.89 -0.56 -0.91 3.44 0.00 -1.26 -5.08 107.32 100.06 1ug0 s GLY 4 Ca 0.12 2.50 -0.01 0.00 0.00 0.00 0.00 44.72 47.33 1ug0 s GLY 4 CO -0.01 2.40 1.05 1.44 0.00 0.00 0.00 173.10 177.98 1ug0 n SER 5 N 4.17 4.98 -4.13 1.64 7.64 -1.26 -4.97 113.62 121.69 1ug0 n SER 5 Ca -0.20 -3.32 -0.37 0.00 1.01 0.00 0.00 58.87 55.99 1ug0 n SER 5 Cb 0.59 -1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 62.64 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug0 s SER 6 N -1.32 5.36 -0.74 6.43 0.15 -1.26 -5.03 113.70 117.29 1ug0 s SER 6 Ca 0.33 -2.40 -0.32 0.00 0.70 0.00 0.00 55.95 54.26 1ug0 s SER 6 Cb 0.03 -1.88 -0.17 0.00 -1.71 0.00 0.00 66.02 62.30 1ug0 s SER 6 CO -0.01 -0.49 2.50 0.61 1.20 0.00 0.00 173.24 177.06 1ug0 n GLY 7 N 4.13 -0.16 3.45 9.45 0.00 -1.26 -4.88 105.19 115.92 1ug0 n GLY 7 Ca 0.02 1.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.82 1ug0 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ug0 s GLU 8 N 8.13 1.61 0.61 1.61 0.41 -1.26 -4.99 118.70 124.83 1ug0 s GLU 8 Ca 1.22 -1.83 0.26 0.00 -0.41 0.00 0.00 54.97 54.20 1ug0 s GLU 8 Cb -0.98 -1.23 1.18 0.00 -1.78 0.00 0.00 34.13 31.32 1ug0 s GLU 8 CO 0.45 0.03 1.62 0.93 -0.49 0.00 0.00 175.26 177.81 1ug0 h GLU 9 N 2.21 0.00 -0.91 1.61 5.08 -2.02 0.63 114.58 121.18 1ug0 h GLU 9 Ca -0.40 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.21 1ug0 h GLU 9 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1ug0 h GLU 9 CO 0.68 0.00 0.65 -0.44 -1.00 0.00 0.00 179.01 178.90 1ug0 h ASP 10 N 0.00 0.05 -1.13 1.42 5.19 -1.94 0.40 116.42 120.41 1ug0 h ASP 10 Ca 0.25 0.01 0.33 0.00 -0.62 0.00 0.00 57.03 56.99 1ug0 h ASP 10 Cb 1.74 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.21 1ug0 h ASP 10 CO -0.00 0.02 1.21 0.10 -3.12 0.00 0.00 179.24 177.44 1ug0 h TYR 11 N 0.05 0.00 0.00 4.55 -0.00 -0.02 1.73 116.97 123.28 1ug0 h TYR 11 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.99 1ug0 h TYR 11 Cb 1.67 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.37 1ug0 h TYR 11 CO -0.00 0.00 -1.84 -1.91 -0.00 0.00 0.00 178.16 174.41 1ug0 n GLU 12 N -3.36 1.45 0.06 0.10 2.13 0.12 -3.08 120.64 118.05 1ug0 n GLU 12 Ca 0.25 -0.04 0.06 0.00 0.66 0.00 0.00 57.16 58.09 1ug0 n GLU 12 Cb 1.55 -1.34 0.28 0.00 0.27 0.00 0.00 31.44 32.20 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ug0 n GLN 13 N -2.35 0.06 0.10 5.31 10.64 0.58 0.23 117.38 131.95 1ug0 n GLN 13 Ca -0.16 0.47 0.12 0.00 -1.83 0.00 0.00 57.00 55.59 1ug0 n GLN 13 Cb 0.78 -1.66 0.06 0.00 -0.86 0.00 0.00 30.24 28.56 1ug0 n GLN 13 CO 0.00 0.00 0.00 -1.49 -1.83 0.00 0.00 177.06 173.74 1ug0 h TRP 14 N 0.00 0.00 -0.01 2.61 4.06 -1.35 -3.28 115.95 117.98 1ug0 h TRP 14 Ca 0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1ug0 h TRP 14 Cb 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1ug0 h TRP 14 CO 0.00 0.00 -0.65 1.25 -3.56 0.00 0.00 178.44 175.48 1ug0 h LEU 15 N 0.00 0.03 -1.30 -4.49 5.85 -0.45 -2.99 115.31 111.95 1ug0 h LEU 15 Ca 0.00 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1ug0 h LEU 15 Cb 0.93 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1ug0 h LEU 15 CO 0.00 0.67 0.58 -0.33 -0.34 0.00 0.00 178.44 179.02 1ug0 h GLU 16 N 0.02 0.64 -3.96 1.25 5.08 -1.60 -3.27 114.58 112.74 1ug0 h GLU 16 Ca -0.01 -0.04 -0.77 0.00 -1.00 0.00 0.00 59.36 57.54 1ug0 h GLU 16 Cb 1.15 -0.14 -0.25 0.00 0.50 0.00 0.00 28.75 30.01 1ug0 h GLU 16 CO 0.09 0.42 -0.06 0.42 -1.00 0.00 0.00 179.01 178.87 1ug0 s ILE 17 N -5.66 5.37 0.76 3.13 1.09 -1.13 -5.05 121.20 119.71 1ug0 s ILE 17 Ca -0.10 -2.02 -0.13 0.00 -1.10 0.00 0.00 60.65 57.30 1ug0 s ILE 17 Cb 0.22 -4.38 0.05 0.00 -1.06 0.00 0.00 42.46 37.30 1ug0 s ILE 17 CO 0.79 -0.95 1.13 -0.75 -0.10 0.00 0.00 174.94 175.06 1ug0 s LYS 18 N 0.84 2.15 -0.32 2.79 2.47 -1.24 -4.96 119.74 121.47 1ug0 s LYS 18 Ca 0.11 1.42 -0.23 0.00 -1.56 0.00 0.00 55.97 55.71 1ug0 s LYS 18 Cb -0.20 -1.87 0.00 0.00 -1.46 0.00 0.00 37.83 34.31 1ug0 s LYS 18 CO -0.03 -1.76 0.77 0.08 0.16 0.00 0.00 175.35 174.57 1ug0 s VAL 19 N -2.52 4.79 0.53 4.02 1.01 -1.26 -5.04 120.40 121.93 1ug0 s VAL 19 Ca 0.66 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 63.52 1ug0 s VAL 19 Cb -0.21 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1ug0 s VAL 19 CO 0.50 -0.29 1.08 -0.94 0.00 0.00 0.00 175.10 175.45 1ug0 s SER 20 N 1.69 5.97 1.00 3.32 1.04 -1.26 -4.32 113.70 121.15 1ug0 s SER 20 Ca 0.31 2.02 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 1ug0 s SER 20 Cb -0.14 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.61 1ug0 s SER 20 CO 0.14 -1.04 1.18 -2.16 0.98 0.00 0.00 173.24 172.34 1ug0 s PRO 21 N -3.38 0.36 0.00 4.02 0.04 -1.26 -4.56 135.00 130.21 1ug0 s PRO 21 Ca 0.69 -0.01 0.13 0.00 0.04 0.00 0.00 61.00 61.86 1ug0 s PRO 21 Cb -0.20 -1.78 0.81 0.00 0.04 0.00 0.00 34.50 33.37 1ug0 s PRO 21 CO 0.25 -2.67 1.34 -0.35 0.04 0.00 0.00 177.00 175.62 1ug0 n PRO 22 N -4.03 0.75 0.12 0.56 -0.04 -1.26 -3.05 135.00 128.04 1ug0 n PRO 22 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1ug0 n PRO 22 Cb 0.59 -1.28 0.24 0.00 -0.04 0.00 0.00 33.50 33.02 1ug0 n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ug0 h GLU 23 N 0.00 0.15 0.00 0.54 4.81 -1.95 -2.45 114.58 115.68 1ug0 h GLU 23 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ug0 h GLU 23 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ug0 h GLU 23 CO 0.00 0.57 0.07 0.78 -0.73 0.00 0.00 179.01 179.70 1ug0 h GLY 24 N 1.29 0.00 -1.14 1.92 0.00 -1.81 -2.50 103.07 100.83 1ug0 h GLY 24 Ca 0.01 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.78 1ug0 h GLY 24 CO 0.06 0.00 0.86 0.00 0.00 0.00 0.00 176.54 177.47 1ug0 h ALA 25 N 1.81 2.76 0.04 3.60 0.00 -1.70 0.58 119.26 126.34 1ug0 h ALA 25 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ug0 h ALA 25 Cb 0.14 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ug0 h ALA 25 CO 0.00 -1.39 -0.02 1.49 0.00 0.00 0.00 179.25 179.33 1ug0 h GLU 26 N 0.08 -0.05 -0.86 0.00 4.57 -1.71 -3.29 114.58 113.32 1ug0 h GLU 26 Ca 0.83 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 59.26 1ug0 h GLU 26 Cb 2.61 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 31.17 1ug0 h GLU 26 CO -0.42 -0.03 0.95 1.15 -1.18 0.00 0.00 179.01 179.48 1ug0 h THR 27 N -0.78 0.13 -0.82 0.32 2.02 -1.21 0.47 112.91 113.05 1ug0 h THR 27 Ca -0.01 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.41 1ug0 h THR 27 Cb 0.04 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1ug0 h THR 27 CO 0.01 0.00 0.82 -0.09 0.37 0.00 0.00 175.52 176.63 1ug0 h ARG 28 N 0.00 0.00 -0.03 6.66 1.12 -0.00 1.82 114.38 123.95 1ug0 h ARG 28 Ca 0.41 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 59.07 1ug0 h ARG 28 Cb 2.31 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 32.26 1ug0 h ARG 28 CO -0.00 0.00 -0.86 0.00 -3.11 0.00 0.00 179.97 175.99 1ug0 h ARG 29 N 0.00 0.38 0.00 0.20 3.08 -0.27 -0.03 114.38 117.74 1ug0 h ARG 29 Ca 0.39 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1ug0 h ARG 29 Cb 2.03 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 32.17 1ug0 h ARG 29 CO -0.00 1.04 -0.81 -0.24 -1.07 0.00 0.00 179.97 178.89 1ug0 h VAL 30 N 0.23 0.17 0.06 2.04 3.04 0.22 -3.34 116.25 118.68 1ug0 h VAL 30 Ca -0.06 -1.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.33 1ug0 h VAL 30 Cb 1.48 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1ug0 h VAL 30 CO 0.15 0.10 -0.03 0.40 -1.01 0.00 0.00 177.57 177.17 1ug0 h ILE 31 N 0.00 0.74 -0.99 3.17 2.04 0.80 -3.23 117.51 120.04 1ug0 h ILE 31 Ca -0.03 -1.41 0.29 0.00 1.00 0.00 0.00 64.86 64.71 1ug0 h ILE 31 Cb 1.14 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1ug0 h ILE 31 CO 0.01 0.23 1.03 -0.33 0.00 0.00 0.00 178.15 179.10 1ug0 h GLU 32 N -0.98 0.00 -0.08 2.37 5.08 -1.14 1.25 114.58 121.08 1ug0 h GLU 32 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ug0 h GLU 32 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ug0 h GLU 32 CO 0.01 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 178.89 1ug0 h LYS 33 N 0.00 0.14 -0.11 2.33 1.79 -1.67 1.61 116.57 120.66 1ug0 h LYS 33 Ca 0.47 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.93 1ug0 h LYS 33 Cb 2.53 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 33.12 1ug0 h LYS 33 CO -0.00 0.44 -0.13 1.25 -1.08 0.00 0.00 179.45 179.92 1ug0 h LEU 34 N -0.17 -0.41 0.56 2.94 6.46 0.15 0.51 115.31 125.35 1ug0 h LEU 34 Ca 0.02 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1ug0 h LEU 34 Cb 0.38 0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1ug0 h LEU 34 CO 0.01 -0.18 -0.27 0.00 -0.62 0.00 0.00 178.44 177.38 1ug0 h ALA 35 N 0.88 -0.76 -0.83 1.25 0.00 -1.40 0.52 119.26 118.92 1ug0 h ALA 35 Ca 0.08 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.05 1ug0 h ALA 35 Cb 0.29 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ug0 h ALA 35 CO -0.21 -0.74 0.85 -0.09 0.00 0.00 0.00 179.25 179.06 1ug0 h ARG 36 N -1.13 0.00 0.00 0.00 2.43 0.25 1.69 114.38 117.61 1ug0 h ARG 36 Ca -0.08 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 1ug0 h ARG 36 Cb 0.62 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1ug0 h ARG 36 CO 0.13 0.00 -1.75 0.34 -1.51 0.00 0.00 179.97 177.18 1ug0 n PHE 37 N -3.60 0.62 0.00 2.20 7.35 0.18 -3.74 117.46 120.47 1ug0 n PHE 37 Ca 0.18 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1ug0 n PHE 37 Cb 1.12 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 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 -2.78 0.00 -0.51 -2.13 0.31 0.52 -3.23 118.33 110.50 1ug0 n VAL 38 Ca -0.15 0.25 0.44 0.00 -0.01 0.00 0.00 64.34 64.87 1ug0 n VAL 38 Cb 0.89 -0.96 0.71 0.00 -0.91 0.00 0.00 33.84 33.57 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 3.51 0.47 3.52 0.00 -0.00 1.44 119.26 126.19 1ug0 h ALA 39 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ug0 h ALA 39 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ug0 h ALA 39 CO 0.00 -2.11 -0.22 1.49 0.00 0.00 0.00 179.25 178.40 1ug0 h GLU 40 N 0.00 -0.60 0.00 0.00 4.81 -1.64 -3.39 114.58 113.76 1ug0 h GLU 40 Ca 0.76 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 60.02 1ug0 h GLU 40 Cb 3.33 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 32.85 1ug0 h GLU 40 CO -0.01 -0.30 -0.28 0.78 -0.73 0.00 0.00 179.01 178.47 1ug0 h GLY 41 N -0.97 0.00 0.00 1.92 0.00 0.70 -3.51 103.07 101.21 1ug0 h GLY 41 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 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 1.69 0.21 0.15 4.60 0.00 0.42 -4.89 105.19 107.36 1ug0 n GLY 42 Ca -0.05 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 0.28 -0.99 1.61 0.13 -1.97 -3.13 132.00 127.93 1ug0 h PRO 43 Ca 0.00 -0.27 0.27 0.00 -0.87 0.00 0.00 66.00 65.13 1ug0 h PRO 43 Cb 0.00 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.15 1ug0 h PRO 43 CO 0.00 0.96 0.69 0.93 -0.23 0.00 0.00 178.00 180.35 1ug0 h GLU 44 N 0.17 0.14 0.31 0.86 5.08 -1.94 -0.83 114.58 118.38 1ug0 h GLU 44 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1ug0 h GLU 44 Cb 1.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ug0 h GLU 44 CO 0.13 0.10 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.02 1ug0 h LEU 45 N 0.15 -0.35 -1.50 1.33 -0.00 -1.87 -1.85 115.31 111.21 1ug0 h LEU 45 Ca 0.50 -0.06 0.29 0.00 -0.00 0.00 0.00 57.88 58.61 1ug0 h LEU 45 Cb 1.70 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 42.41 1ug0 h LEU 45 CO -0.09 0.11 1.01 -0.08 -0.00 0.00 0.00 178.44 179.39 1ug0 h GLU 46 N -1.07 0.00 0.11 1.13 4.22 -1.25 1.76 114.58 119.48 1ug0 h GLU 46 Ca -0.04 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.20 1ug0 h GLU 46 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ug0 h GLU 46 CO 0.07 0.00 -0.92 0.87 -2.18 0.00 0.00 179.01 176.85 1ug0 h LYS 47 N 0.00 0.24 -0.43 1.92 1.57 -1.19 -2.99 116.57 115.69 1ug0 h LYS 47 Ca 0.48 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1ug0 h LYS 47 Cb 2.49 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.94 1ug0 h LYS 47 CO -0.01 1.20 -0.22 0.28 -0.57 0.00 0.00 179.45 180.13 1ug0 h VAL 48 N -0.45 1.27 -0.18 0.50 2.07 0.25 -2.98 116.25 116.73 1ug0 h VAL 48 Ca -0.18 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1ug0 h VAL 48 Cb 1.59 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1ug0 h VAL 48 CO 0.09 0.46 -0.01 0.00 0.02 0.00 0.00 177.57 178.13 1ug0 h ALA 49 N 1.01 0.15 -0.31 1.67 0.00 0.19 1.51 119.26 123.48 1ug0 h ALA 49 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1ug0 h ALA 49 Cb 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ug0 h ALA 49 CO 0.06 -0.44 0.51 0.52 0.00 0.00 0.00 179.25 179.89 1ug0 h MET 50 N 0.05 0.00 0.00 0.00 2.07 -1.36 0.24 114.93 115.93 1ug0 h MET 50 Ca 0.09 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.34 1ug0 h MET 50 Cb 0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.79 1ug0 h MET 50 CO -0.15 0.00 -2.19 0.39 1.07 0.00 0.00 176.91 176.03 1ug0 n GLU 51 N -3.34 0.58 -0.30 1.72 1.02 0.14 -3.49 120.64 116.97 1ug0 n GLU 51 Ca 0.05 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.55 1ug0 n GLU 51 Cb 0.65 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.00 -0.48 -0.89 1.62 1.82 0.27 1.44 116.42 119.21 1ug0 h ASP 52 Ca -0.56 0.24 -0.40 0.00 -0.39 0.00 0.00 57.03 55.92 1ug0 h ASP 52 Cb 1.48 0.43 -0.24 0.00 0.68 0.00 0.00 39.33 41.69 1ug0 h ASP 52 CO -0.34 -0.26 0.50 -1.22 -1.61 0.00 0.00 179.24 176.31 1ug0 n TYR 53 N -5.44 2.81 -0.33 0.28 4.01 0.01 -4.56 117.16 113.94 1ug0 n TYR 53 Ca 0.17 -1.60 0.22 0.00 -0.16 0.00 0.00 57.90 56.53 1ug0 n TYR 53 Cb 0.56 -0.84 0.48 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.65 0.42 -3.20 -0.72 1.63 0.20 -2.79 116.57 113.76 1ug0 h LYS 54 Ca 0.49 -0.03 -0.65 0.00 -0.85 0.00 0.00 60.65 59.61 1ug0 h LYS 54 Cb 2.65 -0.10 -0.39 0.00 -0.60 0.00 0.00 32.23 33.79 1ug0 h LYS 54 CO 0.96 0.28 -0.40 -0.51 -3.45 0.00 0.00 179.45 176.33 1ug0 s ASP 55 N -5.27 5.24 -0.08 4.20 1.01 -1.26 -5.02 116.67 115.49 1ug0 s ASP 55 Ca -0.09 -3.73 -0.01 0.00 0.71 0.00 0.00 52.55 49.43 1ug0 s ASP 55 Cb 0.25 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.47 1ug0 s ASP 55 CO 0.80 -0.14 -0.00 0.21 0.21 0.00 0.00 175.17 176.25 1ug0 s ASN 56 N -0.85 1.71 0.38 0.27 3.84 -1.05 -5.00 114.94 114.25 1ug0 s ASN 56 Ca 0.25 -0.15 0.27 0.00 0.21 0.00 0.00 52.86 53.44 1ug0 s ASN 56 Cb -0.07 -0.48 0.88 0.00 -0.55 0.00 0.00 41.25 41.03 1ug0 s ASN 56 CO -0.14 -0.20 1.78 1.55 -2.79 0.00 0.00 177.10 177.30 1ug0 h PRO 57 N 8.31 0.00 0.02 0.43 0.13 -1.95 -2.91 132.00 136.03 1ug0 h PRO 57 Ca -0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.54 1ug0 h PRO 57 Cb 1.12 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 1ug0 h PRO 57 CO 0.28 0.00 -2.24 0.00 -0.23 0.00 0.00 178.00 175.81 1ug0 n ALA 58 N -1.96 1.15 -0.35 -0.56 0.00 -1.26 -4.32 120.51 113.22 1ug0 n ALA 58 Ca 0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1ug0 n ALA 58 Cb 0.38 -0.16 0.03 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.89 0.88 0.52 0.00 3.01 -1.23 -4.25 117.46 112.50 1ug0 n PHE 59 Ca -0.45 -1.33 0.10 0.00 1.01 0.00 0.00 57.45 56.77 1ug0 n PHE 59 Cb 0.90 -0.66 0.41 0.00 -0.01 0.00 0.00 39.48 40.12 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 0.56 0.82 0.23 4.37 -2.24 -1.10 -2.25 114.28 114.68 1ug0 n THR 60 Ca 0.17 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 1ug0 n THR 60 Cb 0.64 -0.98 0.49 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.00 4.78 -0.00 -1.89 -3.31 116.94 116.51 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 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 1ug0 h PHE 61 CO 0.00 0.18 0.00 1.28 -0.00 0.00 0.00 178.31 179.77 1ug0 n LEU 62 N -3.33 0.00 -0.07 2.10 4.32 -0.95 -2.06 117.00 117.00 1ug0 n LEU 62 Ca 0.00 0.94 -0.13 0.00 -0.02 0.00 0.00 56.01 56.80 1ug0 n LEU 62 Cb 0.41 -0.44 -0.09 0.00 -1.62 0.00 0.00 43.42 41.68 1ug0 n LEU 62 CO 0.32 -0.44 0.50 0.45 -1.22 0.00 0.00 177.39 177.01 1ug0 h HIS 63 N 0.00 -1.53 -3.59 -1.77 3.86 -1.81 -3.41 115.15 106.90 1ug0 h HIS 63 Ca 0.00 0.07 -0.54 0.00 -1.16 0.00 0.00 60.37 58.74 1ug0 h HIS 63 Cb 0.00 0.70 0.20 0.00 1.06 0.00 0.00 27.41 29.37 1ug0 h HIS 63 CO -0.62 -0.47 -0.27 -0.25 0.86 0.00 0.00 177.93 177.18 1ug0 n ASP 64 N -5.16 -0.97 -2.96 2.45 9.92 -0.88 -4.97 116.55 113.98 1ug0 n ASP 64 Ca -0.04 0.47 -0.14 0.00 -0.53 0.00 0.00 54.79 54.54 1ug0 n ASP 64 Cb 0.33 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ug0 n LYS 65 N -1.96 1.04 -1.48 -1.24 5.02 -1.26 -4.83 118.16 113.45 1ug0 n LYS 65 Ca 0.10 -3.25 -0.01 0.00 -2.02 0.00 0.00 58.31 53.12 1ug0 n LYS 65 Cb 0.52 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.13 -0.38 -4.56 4.39 2.85 -1.26 -5.06 115.26 111.37 1ug0 n ASN 66 Ca 0.18 -1.12 -0.24 0.00 -0.11 0.00 0.00 54.58 53.28 1ug0 n ASN 66 Cb 0.73 0.17 -0.09 0.00 1.24 0.00 0.00 39.78 41.83 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1ug0 s SER 67 N -0.31 4.09 0.34 1.20 0.15 -1.26 -5.00 113.70 112.91 1ug0 s SER 67 Ca 0.02 -0.79 0.26 0.00 0.70 0.00 0.00 55.95 56.13 1ug0 s SER 67 Cb 0.09 -0.60 1.19 0.00 -1.71 0.00 0.00 66.02 65.00 1ug0 s SER 67 CO -0.03 0.04 1.77 0.08 1.20 0.00 0.00 173.24 176.30 1ug0 h ARG 68 N 2.23 0.00 0.07 5.44 -0.00 -1.95 0.42 114.38 120.60 1ug0 h ARG 68 Ca -0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.29 1ug0 h ARG 68 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.20 1ug0 h ARG 68 CO 0.59 0.00 -1.38 1.49 -0.00 0.00 0.00 179.97 180.66 1ug0 h GLU 69 N 0.00 0.15 0.00 0.08 4.81 -1.94 -2.70 114.58 114.97 1ug0 h GLU 69 Ca 0.00 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1ug0 h GLU 69 Cb 0.23 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ug0 h GLU 69 CO 0.00 1.12 -0.09 0.35 -0.73 0.00 0.00 179.01 179.66 1ug0 h PHE 70 N -0.52 0.00 0.00 0.92 3.57 -1.75 -2.24 116.94 116.92 1ug0 h PHE 70 Ca -0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1ug0 h PHE 70 Cb 1.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ug0 h PHE 70 CO 0.12 0.09 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.11 1ug0 h LEU 71 N 0.00 0.00 -1.89 0.59 3.38 -1.06 -3.32 115.31 113.01 1ug0 h LEU 71 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.21 1ug0 h LEU 71 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1ug0 h LEU 71 CO 0.01 0.42 0.71 0.22 0.09 0.00 0.00 178.44 179.89 1ug0 h TYR 72 N -0.72 0.00 0.37 1.13 3.20 -1.55 0.11 116.97 119.52 1ug0 h TYR 72 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1ug0 h TYR 72 Cb 0.11 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1ug0 h TYR 72 CO -0.05 0.00 -0.23 -0.92 -1.64 0.00 0.00 178.16 175.32 1ug0 h TYR 73 N 0.00 -0.60 -0.11 -3.82 3.20 -1.52 0.60 116.97 114.72 1ug0 h TYR 73 Ca 0.40 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 1ug0 h TYR 73 Cb 1.81 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 40.28 1ug0 h TYR 73 CO 0.00 -0.36 -0.37 0.00 -1.64 0.00 0.00 178.16 175.80 1ug0 h ARG 74 N -0.58 0.23 -0.53 1.82 3.08 -1.11 0.91 114.38 118.20 1ug0 h ARG 74 Ca -0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ug0 h ARG 74 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1ug0 h ARG 74 CO 0.04 0.58 0.31 0.00 -1.07 0.00 0.00 179.97 179.82 1ug0 h ARG 75 N 0.20 0.73 0.02 0.04 2.47 -0.87 -2.42 114.38 114.55 1ug0 h ARG 75 Ca 0.02 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.46 1ug0 h ARG 75 Cb 0.75 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1ug0 h ARG 75 CO 0.06 0.55 -0.94 0.87 0.56 0.00 0.00 179.97 181.07 1ug0 h LYS 76 N 0.71 0.14 -1.01 0.04 1.79 -0.68 -3.19 116.57 114.38 1ug0 h LYS 76 Ca 0.19 -0.18 0.27 0.00 -2.18 0.00 0.00 60.65 58.75 1ug0 h LYS 76 Cb 0.02 0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 30.60 1ug0 h LYS 76 CO -0.03 0.97 0.60 0.28 -1.08 0.00 0.00 179.45 180.19 1ug0 h VAL 77 N 0.07 0.48 -0.25 0.50 2.07 -0.33 1.63 116.25 120.41 1ug0 h VAL 77 Ca -0.04 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1ug0 h VAL 77 Cb 1.60 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ug0 h VAL 77 CO 0.14 0.09 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 1ug0 h ALA 78 N 1.75 1.23 0.37 1.67 0.00 -1.48 1.09 119.26 123.87 1ug0 h ALA 78 Ca 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1ug0 h ALA 78 Cb 1.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ug0 h ALA 78 CO -0.49 0.50 -0.18 1.49 0.00 0.00 0.00 179.25 180.58 1ug0 h GLU 79 N 0.40 -0.48 -0.71 0.00 4.57 0.23 -2.97 114.58 115.63 1ug0 h GLU 79 Ca 0.07 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1ug0 h GLU 79 Cb 0.55 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 1ug0 h GLU 79 CO 0.04 -0.17 0.17 0.97 -1.18 0.00 0.00 179.01 178.84 1ug0 h ILE 80 N -0.96 1.26 -0.67 2.32 -0.00 -0.58 -3.07 117.51 115.82 1ug0 h ILE 80 Ca -0.05 -0.98 0.08 0.00 -0.00 0.00 0.00 64.86 63.91 1ug0 h ILE 80 Cb 0.53 0.53 -0.11 0.00 -0.00 0.00 0.00 36.82 37.77 1ug0 h ILE 80 CO 0.08 0.38 -0.52 0.03 -0.00 0.00 0.00 178.15 178.12 1ug0 h ARG 81 N 1.08 -0.20 0.00 2.19 2.47 0.12 -2.51 114.38 117.53 1ug0 h ARG 81 Ca 0.22 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1ug0 h ARG 81 Cb 0.37 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1ug0 h ARG 81 CO 0.00 -0.13 0.00 1.17 0.56 0.00 0.00 179.97 181.57 1ug0 n LYS 82 N -5.36 0.00 0.00 0.04 0.00 -1.12 -4.76 118.16 106.97 1ug0 n LYS 82 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 58.31 59.00 1ug0 n LYS 82 Cb 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.76 0.00 -2.30 3.14 2.88 -0.96 -5.11 113.62 109.52 1ug0 n SER 83 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ug0 n SER 83 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 2.83 -0.92 0.00 0.46 0.00 -1.14 -4.90 105.19 101.51 1ug0 n GLY 84 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.93 0.00 0.00 1.61 -0.04 -1.26 -5.04 135.00 129.34 1ug0 n PRO 85 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1ug0 n PRO 85 Cb 0.38 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 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 -0.12 0.00 -1.30 3.54 2.88 -1.26 -5.12 113.62 112.24 1ug0 n SER 86 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ug0 n SER 86 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ug0 n SER 87 N 0.00 -5.77 0.00 -3.46 2.88 -1.26 -5.35 113.62 100.66 1ug0 n SER 87 Ca 0.00 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1ug0 n SER 87 Cb 0.00 -3.07 0.00 0.00 -0.75 0.00 0.00 64.21 60.39 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42