#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 1.56 0.50 1.61 1.04 -1.26 -5.17 113.70 111.99 1ug0 s SER 2 Ca 0.00 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1ug0 s SER 2 Cb 0.00 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1ug0 s SER 2 CO 0.00 -0.55 0.69 -0.55 0.98 0.00 0.00 173.24 173.80 1ug0 s SER 3 N -3.26 5.39 0.00 7.02 0.15 -1.26 -5.12 113.70 116.61 1ug0 s SER 3 Ca 0.28 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1ug0 s SER 3 Cb 0.06 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 1ug0 s SER 3 CO 0.08 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1ug0 n GLY 4 N -2.12 -0.68 0.00 9.45 0.00 -1.26 -5.12 105.19 105.46 1ug0 n GLY 4 Ca 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 0.00 -4.77 1.61 2.88 -1.26 -5.15 113.62 106.93 1ug0 n SER 5 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1ug0 n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ug0 s SER 6 N 0.00 6.38 0.39 -3.46 0.15 -1.26 -4.78 113.70 111.12 1ug0 s SER 6 Ca 0.00 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1ug0 s SER 6 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1ug0 s SER 6 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ug0 n GLY 7 N 0.55 -3.69 2.39 9.45 0.00 -1.26 -4.96 105.19 107.67 1ug0 n GLY 7 Ca 0.05 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 1ug0 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug0 n GLU 8 N -2.11 0.85 -0.63 1.61 1.02 -1.26 -4.96 120.64 115.17 1ug0 n GLU 8 Ca 0.00 -2.76 0.49 0.00 -0.02 0.00 0.00 57.16 54.86 1ug0 n GLU 8 Cb 0.29 -1.38 0.75 0.00 -0.02 0.00 0.00 31.44 31.08 1ug0 n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ug0 n GLU 9 N 0.94 0.00 -0.36 3.49 1.02 -1.26 -0.02 120.64 124.46 1ug0 n GLU 9 Ca 0.17 1.03 -0.04 0.00 -0.02 0.00 0.00 57.16 58.31 1ug0 n GLU 9 Cb 0.62 -2.41 0.01 0.00 -0.02 0.00 0.00 31.44 29.63 1ug0 n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ug0 h ASP 10 N 0.00 -1.55 -1.80 1.62 5.19 -1.93 1.85 116.42 119.80 1ug0 h ASP 10 Ca 0.85 0.30 0.52 0.00 -0.62 0.00 0.00 57.03 58.09 1ug0 h ASP 10 Cb 3.55 0.77 -0.07 0.00 0.18 0.00 0.00 39.33 43.75 1ug0 h ASP 10 CO -0.01 -0.28 1.30 0.00 -3.12 0.00 0.00 179.24 177.13 1ug0 n TYR 11 N -5.43 0.00 -0.02 4.55 0.18 0.98 0.22 117.16 117.64 1ug0 n TYR 11 Ca 0.07 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.87 1ug0 n TYR 11 Cb 0.37 -0.45 -0.09 0.00 -0.38 0.00 0.00 39.34 38.79 1ug0 n TYR 11 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1ug0 n GLU 12 N -3.74 1.04 0.13 -3.48 0.28 0.53 -3.22 120.64 112.17 1ug0 n GLU 12 Ca 0.41 -0.07 0.13 0.00 -0.16 0.00 0.00 57.16 57.46 1ug0 n GLU 12 Cb 1.84 -1.28 0.46 0.00 1.43 0.00 0.00 31.44 33.89 1ug0 n GLU 12 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1ug0 h GLN 13 N 0.00 0.00 0.00 3.44 3.07 1.23 -2.34 115.11 120.52 1ug0 h GLN 13 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.52 1ug0 h GLN 13 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.49 1ug0 h GLN 13 CO 0.01 0.00 -0.87 -1.49 0.09 0.00 0.00 178.83 176.57 1ug0 h TRP 14 N 0.00 0.00 0.00 0.06 4.06 0.35 -3.22 115.95 117.20 1ug0 h TRP 14 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1ug0 h TRP 14 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1ug0 h TRP 14 CO 0.00 0.43 -0.29 1.25 -3.56 0.00 0.00 178.44 176.28 1ug0 h LEU 15 N 0.00 0.00 -1.69 -4.49 5.85 -1.62 -2.18 115.31 111.17 1ug0 h LEU 15 Ca -0.06 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1ug0 h LEU 15 Cb 1.39 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 1ug0 h LEU 15 CO 0.05 0.29 0.42 -0.33 -0.34 0.00 0.00 178.44 178.52 1ug0 h GLU 16 N 0.00 0.32 -3.97 1.25 5.08 -1.59 -3.28 114.58 112.39 1ug0 h GLU 16 Ca -0.00 -0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 57.59 1ug0 h GLU 16 Cb 0.54 -0.07 -0.29 0.00 0.50 0.00 0.00 28.75 29.43 1ug0 h GLU 16 CO 0.04 0.21 -0.20 0.42 -1.00 0.00 0.00 179.01 178.48 1ug0 s ILE 17 N -5.32 4.72 1.04 3.13 1.09 -0.82 -5.06 121.20 119.98 1ug0 s ILE 17 Ca -0.07 -2.21 -0.13 0.00 -1.10 0.00 0.00 60.65 57.14 1ug0 s ILE 17 Cb 0.20 -4.02 0.21 0.00 -1.06 0.00 0.00 42.46 37.80 1ug0 s ILE 17 CO 0.75 -0.89 1.09 -0.75 -0.10 0.00 0.00 174.94 175.03 1ug0 s LYS 18 N 0.71 0.06 -0.28 2.79 2.47 -1.24 -4.98 119.74 119.28 1ug0 s LYS 18 Ca 0.12 0.47 -0.10 0.00 -1.56 0.00 0.00 55.97 54.89 1ug0 s LYS 18 Cb -0.20 -1.70 -0.04 0.00 -1.46 0.00 0.00 37.83 34.43 1ug0 s LYS 18 CO -0.03 -2.97 0.16 0.08 0.16 0.00 0.00 175.35 172.75 1ug0 s VAL 19 N -2.92 4.96 0.54 4.02 1.01 -1.26 -5.07 120.40 121.67 1ug0 s VAL 19 Ca 0.66 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1ug0 s VAL 19 Cb -0.19 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1ug0 s VAL 19 CO 0.58 0.23 1.10 -0.94 0.00 0.00 0.00 175.10 176.06 1ug0 s SER 20 N 1.70 5.87 1.00 3.32 1.04 -1.26 -4.32 113.70 121.05 1ug0 s SER 20 Ca 0.06 2.08 -0.15 0.00 0.48 0.00 0.00 55.95 58.42 1ug0 s SER 20 Cb -0.16 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.58 1ug0 s SER 20 CO 0.08 -1.11 1.18 -2.16 0.98 0.00 0.00 173.24 172.22 1ug0 s PRO 21 N -3.36 0.36 0.00 4.02 0.04 -1.26 -4.97 135.00 129.83 1ug0 s PRO 21 Ca 0.70 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.87 1ug0 s PRO 21 Cb -0.21 -1.78 0.82 0.00 0.04 0.00 0.00 34.50 33.37 1ug0 s PRO 21 CO 0.26 -2.67 1.35 -0.35 0.04 0.00 0.00 177.00 175.63 1ug0 n PRO 22 N -4.03 0.75 0.23 0.56 -0.04 -1.26 -2.83 135.00 128.38 1ug0 n PRO 22 Ca 0.11 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 1ug0 n PRO 22 Cb 0.59 -1.28 0.48 0.00 -0.04 0.00 0.00 33.50 33.25 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 -2.97 114.58 115.27 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 0.11 0.78 -1.00 0.00 0.00 179.01 178.90 1ug0 h GLY 24 N 2.88 0.00 -0.55 -3.84 0.00 -1.79 -1.70 103.07 98.07 1ug0 h GLY 24 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 47.33 47.70 1ug0 h GLY 24 CO 0.00 0.00 0.92 0.00 0.00 0.00 0.00 176.54 177.46 1ug0 h ALA 25 N 1.75 3.20 0.00 3.60 0.00 -1.81 1.01 119.26 127.00 1ug0 h ALA 25 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ug0 h ALA 25 Cb 0.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ug0 h ALA 25 CO 0.00 -1.56 -0.20 1.49 0.00 0.00 0.00 179.25 178.98 1ug0 h GLU 26 N 0.01 0.00 -0.36 0.00 4.81 -1.59 -3.35 114.58 114.10 1ug0 h GLU 26 Ca 0.61 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.94 1ug0 h GLU 26 Cb 2.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.79 1ug0 h GLU 26 CO -0.01 0.00 0.61 1.15 -0.73 0.00 0.00 179.01 180.03 1ug0 h THR 27 N -0.69 0.16 -0.82 0.32 2.02 -1.48 0.14 112.91 112.55 1ug0 h THR 27 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1ug0 h THR 27 Cb 0.20 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1ug0 h THR 27 CO 0.00 0.00 0.83 -0.09 0.37 0.00 0.00 175.52 176.63 1ug0 h ARG 28 N 0.00 0.00 -0.19 6.66 1.12 0.90 1.51 114.38 124.38 1ug0 h ARG 28 Ca 0.17 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.87 1ug0 h ARG 28 Cb 1.39 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.35 1ug0 h ARG 28 CO -0.00 0.00 -0.59 0.00 -3.11 0.00 0.00 179.97 176.27 1ug0 h ARG 29 N 0.00 0.63 0.00 0.20 3.08 -0.96 1.02 114.38 118.34 1ug0 h ARG 29 Ca 0.39 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ug0 h ARG 29 Cb 2.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.14 1ug0 h ARG 29 CO -0.00 1.03 -0.19 1.55 -1.07 0.00 0.00 179.97 181.29 1ug0 n VAL 30 N -3.95 0.43 -0.11 2.04 3.14 0.49 -3.17 118.33 117.20 1ug0 n VAL 30 Ca -0.04 -0.23 -0.20 0.00 -2.96 0.00 0.00 64.34 60.91 1ug0 n VAL 30 Cb 0.63 -0.41 -0.09 0.00 -1.06 0.00 0.00 33.84 32.92 1ug0 n VAL 30 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1ug0 n ILE 31 N -2.09 1.51 -0.32 1.55 5.41 0.24 -3.79 119.36 121.88 1ug0 n ILE 31 Ca 0.05 -0.06 0.25 0.00 1.00 0.00 0.00 62.75 63.99 1ug0 n ILE 31 Cb 0.42 -2.09 0.55 0.00 -0.71 0.00 0.00 39.64 37.80 1ug0 n ILE 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1ug0 h GLU 32 N -1.00 0.31 -0.30 0.38 5.08 0.96 0.59 114.58 120.60 1ug0 h GLU 32 Ca -0.35 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1ug0 h GLU 32 Cb 1.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1ug0 h GLU 32 CO -0.21 0.21 0.05 0.87 -1.00 0.00 0.00 179.01 178.92 1ug0 h LYS 33 N 0.32 0.51 -0.21 2.33 1.79 -1.72 1.57 116.57 121.16 1ug0 h LYS 33 Ca 0.59 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 1ug0 h LYS 33 Cb 1.63 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 1ug0 h LYS 33 CO -0.25 0.61 0.06 1.25 -1.08 0.00 0.00 179.45 180.03 1ug0 h LEU 34 N 0.33 0.31 -0.16 2.94 6.46 -0.13 0.16 115.31 125.22 1ug0 h LEU 34 Ca 0.09 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1ug0 h LEU 34 Cb 0.35 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1ug0 h LEU 34 CO 0.01 0.44 0.02 0.00 -0.62 0.00 0.00 178.44 178.29 1ug0 h ALA 35 N 0.88 0.21 -0.80 1.25 0.00 -0.28 0.33 119.26 120.85 1ug0 h ALA 35 Ca 0.07 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ug0 h ALA 35 Cb 0.25 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1ug0 h ALA 35 CO -0.00 -0.12 0.45 -0.09 0.00 0.00 0.00 179.25 179.50 1ug0 h ARG 36 N 0.04 0.74 -0.05 0.00 1.12 0.24 0.57 114.38 117.04 1ug0 h ARG 36 Ca 0.05 -0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 1ug0 h ARG 36 Cb 0.32 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1ug0 h ARG 36 CO 0.00 0.49 -0.69 0.35 -3.11 0.00 0.00 179.97 177.01 1ug0 h PHE 37 N 0.77 0.33 0.00 2.20 3.57 -0.46 -2.27 116.94 121.07 1ug0 h PHE 37 Ca 0.38 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1ug0 h PHE 37 Cb 0.34 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1ug0 h PHE 37 CO -0.07 0.86 0.00 0.28 -2.23 0.00 0.00 178.31 177.15 1ug0 n VAL 38 N -3.81 0.00 -0.48 1.41 0.31 0.11 -2.73 118.33 113.15 1ug0 n VAL 38 Ca -0.03 0.54 0.42 0.00 -0.01 0.00 0.00 64.34 65.26 1ug0 n VAL 38 Cb 0.68 -1.14 0.71 0.00 -0.91 0.00 0.00 33.84 33.18 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 3.44 0.79 3.52 0.00 -0.09 1.68 119.26 126.61 1ug0 h ALA 39 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ug0 h ALA 39 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ug0 h ALA 39 CO 0.00 -2.03 -0.39 1.49 0.00 0.00 0.00 179.25 178.33 1ug0 h GLU 40 N 0.00 -1.03 0.00 0.00 4.57 -1.44 -3.36 114.58 113.32 1ug0 h GLU 40 Ca 0.73 0.07 -0.26 0.00 -1.18 0.00 0.00 59.36 58.72 1ug0 h GLU 40 Cb 3.19 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 31.98 1ug0 h GLU 40 CO -0.01 -0.69 -1.43 0.41 -1.18 0.00 0.00 179.01 176.11 1ug0 n GLY 41 N -1.55 -0.79 0.00 1.92 0.00 0.21 -5.09 105.19 99.89 1ug0 n GLY 41 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ug0 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug0 n GLY 42 N 1.41 0.63 0.17 -0.02 0.00 0.51 -4.84 105.19 103.06 1ug0 n GLY 42 Ca -0.35 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.54 1.61 0.13 -1.96 -3.08 132.00 128.16 1ug0 h PRO 43 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 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 0.43 0.37 1.49 -0.23 0.00 0.00 178.00 180.06 1ug0 h GLU 44 N 0.00 0.29 -0.01 0.86 4.22 -1.93 -0.66 114.58 117.35 1ug0 h GLU 44 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1ug0 h GLU 44 Cb 1.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1ug0 h GLU 44 CO 0.06 0.19 -0.12 -0.07 -2.18 0.00 0.00 179.01 176.88 1ug0 h LEU 45 N 0.30 0.13 -0.37 1.64 -0.00 -1.86 -1.89 115.31 113.25 1ug0 h LEU 45 Ca 0.25 -0.73 0.08 0.00 -0.00 0.00 0.00 57.88 57.48 1ug0 h LEU 45 Cb 0.59 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 41.13 1ug0 h LEU 45 CO -0.06 0.84 -0.25 -0.08 -0.00 0.00 0.00 178.44 178.90 1ug0 h GLU 46 N -0.58 -0.19 0.62 1.13 4.81 -1.33 1.48 114.58 120.52 1ug0 h GLU 46 Ca -0.01 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1ug0 h GLU 46 Cb 0.85 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1ug0 h GLU 46 CO 0.02 -0.12 -0.31 0.87 -0.73 0.00 0.00 179.01 178.75 1ug0 h LYS 47 N -0.19 -0.81 -0.75 1.92 1.57 -1.25 -2.49 116.57 114.57 1ug0 h LYS 47 Ca 0.18 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.17 1ug0 h LYS 47 Cb 0.48 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.87 1ug0 h LYS 47 CO -0.49 -0.54 0.27 0.28 -0.57 0.00 0.00 179.45 178.40 1ug0 h VAL 48 N -0.84 0.61 -0.59 0.50 2.07 -0.60 -0.92 116.25 116.47 1ug0 h VAL 48 Ca -0.08 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1ug0 h VAL 48 Cb 0.65 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1ug0 h VAL 48 CO 0.13 0.07 -0.49 0.00 0.02 0.00 0.00 177.57 177.30 1ug0 h ALA 49 N 1.57 -0.48 -0.53 1.67 0.00 0.25 1.85 119.26 123.59 1ug0 h ALA 49 Ca 0.42 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.56 1ug0 h ALA 49 Cb 0.67 1.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1ug0 h ALA 49 CO -0.44 -0.91 0.80 0.52 0.00 0.00 0.00 179.25 179.23 1ug0 h MET 50 N -0.25 0.00 0.00 0.00 2.07 -0.84 0.62 114.93 116.54 1ug0 h MET 50 Ca 0.15 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.55 1ug0 h MET 50 Cb 0.56 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1ug0 h MET 50 CO -0.70 0.00 -1.66 0.39 1.07 0.00 0.00 176.91 176.01 1ug0 n GLU 51 N -3.24 0.55 -0.35 1.72 1.02 0.50 -3.35 120.64 117.51 1ug0 n GLU 51 Ca 0.11 0.31 0.17 0.00 -0.02 0.00 0.00 57.16 57.72 1ug0 n GLU 51 Cb 0.99 -1.52 0.37 0.00 -0.02 0.00 0.00 31.44 31.26 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 -1.00 0.69 -0.77 1.62 3.32 0.35 0.84 116.42 121.46 1ug0 h ASP 52 Ca -0.35 0.13 -0.36 0.00 0.02 0.00 0.00 57.03 56.48 1ug0 h ASP 52 Cb 1.26 0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.62 1ug0 h ASP 52 CO -0.21 0.13 0.39 -1.22 -1.72 0.00 0.00 179.24 176.60 1ug0 n TYR 53 N -4.87 2.44 -0.26 4.55 4.01 0.20 -4.68 117.16 118.55 1ug0 n TYR 53 Ca 0.26 -1.61 0.25 0.00 -0.16 0.00 0.00 57.90 56.65 1ug0 n TYR 53 Cb 0.72 -0.77 0.47 0.00 -0.31 0.00 0.00 39.34 39.45 1ug0 n TYR 53 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ug0 n LYS 54 N -0.88 -0.05 -3.41 -0.72 3.00 0.29 -0.73 118.16 115.66 1ug0 n LYS 54 Ca 0.48 1.13 -0.39 0.00 -0.00 0.00 0.00 58.31 59.54 1ug0 n LYS 54 Cb 1.45 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 34.42 1ug0 n LYS 54 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ug0 n ASP 55 N -4.87 4.97 -4.49 3.14 2.03 -1.26 -5.02 116.55 111.06 1ug0 n ASP 55 Ca 0.30 -3.19 -0.37 0.00 0.52 0.00 0.00 54.79 52.05 1ug0 n ASP 55 Cb 1.03 -1.15 -0.12 0.00 -0.72 0.00 0.00 41.12 40.16 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ug0 s ASN 56 N -0.30 5.44 -0.06 1.67 4.22 0.09 -4.99 114.94 121.00 1ug0 s ASN 56 Ca 0.30 -0.17 -0.12 0.00 -2.14 0.00 0.00 52.86 50.74 1ug0 s ASN 56 Cb -0.03 -1.99 -0.07 0.00 1.28 0.00 0.00 41.25 40.43 1ug0 s ASN 56 CO -0.06 -0.05 0.47 1.55 -2.04 0.00 0.00 177.10 176.97 1ug0 h PRO 57 N 8.29 -0.29 0.00 3.55 0.13 -1.95 -3.34 132.00 138.39 1ug0 h PRO 57 Ca -0.37 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ug0 h PRO 57 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ug0 h PRO 57 CO 0.57 -0.10 -1.44 0.00 -0.23 0.00 0.00 178.00 176.80 1ug0 n ALA 58 N -2.72 3.80 0.12 -0.56 0.00 -1.26 -4.21 120.51 115.68 1ug0 n ALA 58 Ca -0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 1ug0 n ALA 58 Cb 0.16 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.87 1.21 0.43 0.00 3.72 -1.26 -4.06 117.46 115.63 1ug0 n PHE 59 Ca 0.00 -1.01 0.13 0.00 -0.05 0.00 0.00 57.45 56.52 1ug0 n PHE 59 Cb 0.44 -0.52 0.38 0.00 -0.94 0.00 0.00 39.48 38.84 1ug0 n PHE 59 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1ug0 h THR 60 N 0.43 0.00 -0.07 4.37 1.35 -1.73 -3.13 112.91 114.12 1ug0 h THR 60 Ca 0.25 -0.60 0.02 0.00 -0.55 0.00 0.00 66.41 65.52 1ug0 h THR 60 Cb 1.73 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1ug0 h THR 60 CO 0.43 0.00 0.15 2.19 -0.25 0.00 0.00 175.52 178.04 1ug0 h PHE 61 N 0.00 0.00 0.25 4.73 -0.00 -1.83 -2.63 116.94 117.46 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 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.68 1ug0 h PHE 61 CO 0.00 0.00 -0.24 -0.07 -0.00 0.00 0.00 178.31 178.00 1ug0 h LEU 62 N 0.00 -0.65 0.00 2.10 3.38 -1.90 -3.28 115.31 114.96 1ug0 h LEU 62 Ca 0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ug0 h LEU 62 Cb 0.33 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ug0 h LEU 62 CO -0.00 -0.32 0.00 1.41 0.09 0.00 0.00 178.44 179.62 1ug0 n HIS 63 N -3.79 0.00 -1.59 1.13 8.25 -1.00 -4.29 115.22 113.92 1ug0 n HIS 63 Ca -0.06 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.97 1ug0 n HIS 63 Cb 0.22 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 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 3.21 0.10 0.41 8.00 -1.16 -4.86 116.55 120.00 1ug0 n ASP 64 Ca 0.00 0.24 -0.04 0.00 0.71 0.00 0.00 54.79 55.70 1ug0 n ASP 64 Cb 0.00 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 39.55 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1ug0 h LYS 65 N 14.74 -0.26 -4.23 -1.24 6.56 -1.75 -3.32 116.57 127.08 1ug0 h LYS 65 Ca -0.40 0.02 -0.57 0.00 -1.06 0.00 0.00 60.65 58.64 1ug0 h LYS 65 Cb 1.25 0.06 0.04 0.00 -0.57 0.00 0.00 32.23 33.01 1ug0 h LYS 65 CO 0.96 -0.17 2.32 0.09 -2.06 0.00 0.00 179.45 180.59 1ug0 n ASN 66 N -3.08 2.98 0.00 0.86 4.13 -1.26 -4.36 115.26 114.54 1ug0 n ASN 66 Ca -0.03 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.65 1ug0 n ASN 66 Cb 0.11 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1ug0 n SER 67 N 6.67 0.00 0.00 6.41 2.88 -1.25 -5.08 113.62 123.25 1ug0 n SER 67 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ug0 n SER 67 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.50 0.00 0.02 -1.46 0.00 -1.26 -4.94 116.66 108.52 1ug0 n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1ug0 n ARG 68 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 32.46 32.60 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ug0 n GLU 69 N 0.00 0.14 0.06 2.89 1.02 -1.26 -3.79 120.64 119.70 1ug0 n GLU 69 Ca 0.00 0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1ug0 n GLU 69 Cb 0.00 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ug0 n PHE 70 N -1.75 0.83 0.02 -0.32 -0.00 -1.26 -3.06 117.46 111.92 1ug0 n PHE 70 Ca 0.04 0.26 -0.11 0.00 -0.00 0.00 0.00 57.45 57.64 1ug0 n PHE 70 Cb 0.38 -0.95 -0.08 0.00 -0.00 0.00 0.00 39.48 38.83 1ug0 n PHE 70 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1ug0 h LEU 71 N 0.00 -0.11 -1.07 -2.13 4.07 -1.80 -3.11 115.31 111.15 1ug0 h LEU 71 Ca -0.07 -0.47 -0.05 0.00 0.08 0.00 0.00 57.88 57.37 1ug0 h LEU 71 Cb 1.23 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 1ug0 h LEU 71 CO 0.02 0.51 0.11 0.22 -1.08 0.00 0.00 178.44 178.21 1ug0 h TYR 72 N -0.84 0.80 0.08 1.13 3.20 -1.74 -2.82 116.97 116.77 1ug0 h TYR 72 Ca -0.01 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.79 1ug0 h TYR 72 Cb 0.57 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1ug0 h TYR 72 CO 0.12 0.68 -0.41 -0.92 -1.64 0.00 0.00 178.16 175.99 1ug0 h TYR 73 N 0.75 -1.19 -0.97 -3.82 3.20 -1.60 0.31 116.97 113.64 1ug0 h TYR 73 Ca 0.16 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.22 1ug0 h TYR 73 Cb 0.29 0.51 -0.10 0.00 1.54 0.00 0.00 36.73 38.98 1ug0 h TYR 73 CO 0.02 -0.46 0.58 0.00 -1.64 0.00 0.00 178.16 176.66 1ug0 h ARG 74 N -0.57 0.79 0.69 1.82 2.47 -1.50 1.01 114.38 119.09 1ug0 h ARG 74 Ca -0.00 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1ug0 h ARG 74 Cb 0.58 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1ug0 h ARG 74 CO -0.23 0.52 -0.40 0.00 0.56 0.00 0.00 179.97 180.42 1ug0 h ARG 75 N 0.81 -0.98 -0.76 0.04 2.47 -1.00 -2.13 114.38 112.84 1ug0 h ARG 75 Ca 0.53 0.07 0.02 0.00 -1.26 0.00 0.00 59.98 59.33 1ug0 h ARG 75 Cb 0.71 0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 29.21 1ug0 h ARG 75 CO -0.34 -0.65 0.50 0.87 0.56 0.00 0.00 179.97 180.91 1ug0 h LYS 76 N -1.02 0.95 -1.02 0.04 1.79 0.15 -0.89 116.57 116.58 1ug0 h LYS 76 Ca -0.09 -0.06 0.25 0.00 -2.18 0.00 0.00 60.65 58.57 1ug0 h LYS 76 Cb 0.81 -0.21 -0.12 0.00 -1.58 0.00 0.00 32.23 31.13 1ug0 h LYS 76 CO 0.11 0.63 0.62 0.28 -1.08 0.00 0.00 179.45 180.00 1ug0 h VAL 77 N 0.98 0.54 -0.10 0.50 2.07 0.14 1.56 116.25 121.94 1ug0 h VAL 77 Ca 0.29 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 1ug0 h VAL 77 Cb -0.04 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 1ug0 h VAL 77 CO -0.07 0.10 -0.37 0.00 0.02 0.00 0.00 177.57 177.25 1ug0 h ALA 78 N 1.70 1.20 0.40 1.67 0.00 -0.49 0.34 119.26 124.08 1ug0 h ALA 78 Ca 0.63 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ug0 h ALA 78 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ug0 h ALA 78 CO -0.42 0.54 -0.19 1.49 0.00 0.00 0.00 179.25 180.67 1ug0 h GLU 79 N 0.17 -0.52 -0.99 0.00 4.57 0.22 -3.09 114.58 114.93 1ug0 h GLU 79 Ca 0.02 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1ug0 h GLU 79 Cb 0.73 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 1ug0 h GLU 79 CO 0.06 -0.26 0.66 0.97 -1.18 0.00 0.00 179.01 179.25 1ug0 h ILE 80 N -1.08 1.24 -0.60 2.32 -0.00 -0.57 -2.88 117.51 115.94 1ug0 h ILE 80 Ca -0.05 -0.46 0.06 0.00 -0.00 0.00 0.00 64.86 64.41 1ug0 h ILE 80 Cb 0.49 -0.21 -0.09 0.00 -0.00 0.00 0.00 36.82 37.02 1ug0 h ILE 80 CO 0.09 0.24 -0.49 0.03 -0.00 0.00 0.00 178.15 178.02 1ug0 h ARG 81 N 1.33 -0.17 -6.53 2.19 2.47 -0.37 -3.37 114.38 109.93 1ug0 h ARG 81 Ca 0.37 0.01 -0.53 0.00 -1.26 0.00 0.00 59.98 58.57 1ug0 h ARG 81 Cb -0.12 0.04 0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1ug0 h ARG 81 CO -0.09 -0.11 0.78 0.15 0.56 0.00 0.00 179.97 181.26 1ug0 s LYS 82 N -5.20 4.29 0.00 0.04 3.01 -1.09 -4.92 119.74 115.88 1ug0 s LYS 82 Ca -0.11 2.13 0.00 0.00 -1.01 0.00 0.00 55.97 56.98 1ug0 s LYS 82 Cb 0.08 -3.29 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 1ug0 s LYS 82 CO 0.53 -0.50 0.00 0.45 0.51 0.00 0.00 175.35 176.33 1ug0 n SER 83 N 4.23 0.00 -3.64 2.83 2.88 -1.26 -4.93 113.62 113.73 1ug0 n SER 83 Ca 0.12 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 1ug0 n SER 83 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 -1.07 3.81 0.46 0.00 -1.26 -4.90 105.19 102.22 1ug0 n GLY 84 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.48 2.35 0.00 1.61 0.04 -1.26 -5.05 135.00 128.21 1ug0 s PRO 85 Ca 0.03 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1ug0 s PRO 85 Cb -0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ug0 s PRO 85 CO 0.80 -1.46 0.00 0.45 0.04 0.00 0.00 177.00 176.83 1ug0 n SER 86 N -3.34 0.00 -3.19 6.66 2.88 -1.26 -5.06 113.62 110.31 1ug0 n SER 86 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1ug0 n SER 86 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -6.56 0.00 -3.46 3.41 -1.26 -5.29 113.62 100.45 1ug0 n SER 87 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1ug0 n SER 87 Cb 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.38 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49