#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 -2.92 -4.87 1.61 2.88 -1.26 -5.13 113.62 103.94 1ug0 n SER 2 Ca 0.00 0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 57.90 1ug0 n SER 2 Cb 0.00 2.85 -0.05 0.00 -0.75 0.00 0.00 64.21 66.25 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug0 s SER 3 N -2.00 6.66 0.00 -3.46 0.01 -1.26 -4.82 113.70 108.83 1ug0 s SER 3 Ca 0.00 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1ug0 s SER 3 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1ug0 s SER 3 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ug0 n GLY 4 N 0.66 0.94 3.33 3.44 0.00 -1.26 -5.10 105.19 107.20 1ug0 n GLY 4 Ca -0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1ug0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug0 n SER 5 N 0.00 -2.29 -4.68 1.61 7.64 -1.26 -4.84 113.62 109.80 1ug0 n SER 5 Ca 0.00 -0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 1ug0 n SER 5 Cb 0.00 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 1ug0 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug0 s SER 6 N -2.05 6.71 0.35 6.43 0.01 -1.26 -4.70 113.70 119.18 1ug0 s SER 6 Ca 0.60 2.30 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1ug0 s SER 6 Cb -0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1ug0 s SER 6 CO 0.65 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1ug0 n GLY 7 N 3.88 -1.36 3.98 3.44 0.00 -1.26 -5.01 105.19 108.85 1ug0 n GLY 7 Ca 0.15 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.30 -1.33 -0.24 1.61 2.13 -1.26 -4.66 120.64 113.60 1ug0 n GLU 8 Ca 0.00 0.10 0.31 0.00 0.66 0.00 0.00 57.16 58.23 1ug0 n GLU 8 Cb 0.00 -4.64 0.60 0.00 0.27 0.00 0.00 31.44 27.67 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 -0.63 0.00 -0.45 5.31 3.07 -1.95 0.93 114.58 120.86 1ug0 h GLU 9 Ca -0.43 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.56 1ug0 h GLU 9 Cb 1.28 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1ug0 h GLU 9 CO 0.65 0.00 0.66 -0.44 -1.40 0.00 0.00 179.01 178.48 1ug0 h ASP 10 N 0.00 0.00 -0.34 1.42 5.19 -2.00 0.38 116.42 121.07 1ug0 h ASP 10 Ca 0.51 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 57.01 1ug0 h ASP 10 Cb 2.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 42.09 1ug0 h ASP 10 CO -0.01 0.00 0.55 0.10 -3.12 0.00 0.00 179.24 176.77 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 0.58 1.43 116.97 123.53 1ug0 h TYR 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 1ug0 h TYR 11 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.25 1ug0 h TYR 11 CO 0.00 0.00 -1.50 -0.85 -0.00 0.00 0.00 178.16 175.81 1ug0 n GLU 12 N -3.32 0.59 0.08 0.10 0.28 0.13 -3.91 120.64 114.60 1ug0 n GLU 12 Ca 0.06 -0.05 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1ug0 n GLU 12 Cb 0.70 -1.65 0.34 0.00 1.43 0.00 0.00 31.44 32.26 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 -2.38 0.08 0.03 3.44 -0.00 0.49 0.18 117.38 119.22 1ug0 n GLN 13 Ca -0.02 0.48 0.13 0.00 -0.00 0.00 0.00 57.00 57.60 1ug0 n GLN 13 Cb 0.55 -1.72 0.48 0.00 -0.00 0.00 0.00 30.24 29.54 1ug0 n GLN 13 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1ug0 n TRP 14 N -1.89 0.24 0.08 2.61 7.02 -1.17 -3.10 117.44 121.22 1ug0 n TRP 14 Ca 0.01 0.07 -0.08 0.00 -1.02 0.00 0.00 57.50 56.47 1ug0 n TRP 14 Cb 0.09 -0.56 0.01 0.00 -2.42 0.00 0.00 31.31 28.43 1ug0 n TRP 14 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1ug0 h LEU 15 N 0.00 0.28 -1.57 -0.99 3.38 -0.52 -3.08 115.31 112.81 1ug0 h LEU 15 Ca 0.00 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1ug0 h LEU 15 Cb 0.57 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1ug0 h LEU 15 CO 0.00 0.99 0.45 -0.33 0.09 0.00 0.00 178.44 179.64 1ug0 h GLU 16 N 0.13 0.45 -4.24 1.13 5.08 -1.64 -3.29 114.58 112.20 1ug0 h GLU 16 Ca -0.04 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.60 1ug0 h GLU 16 Cb 1.43 -0.10 -0.35 0.00 0.50 0.00 0.00 28.75 30.23 1ug0 h GLU 16 CO 0.13 0.30 -0.51 0.96 -1.00 0.00 0.00 179.01 178.88 1ug0 s ILE 17 N -5.44 3.32 0.66 3.13 -5.25 -1.16 -5.09 121.20 111.37 1ug0 s ILE 17 Ca -0.08 -2.33 -0.11 0.00 -0.99 0.00 0.00 60.65 57.13 1ug0 s ILE 17 Cb 0.20 -3.26 -0.01 0.00 2.95 0.00 0.00 42.46 42.34 1ug0 s ILE 17 CO 0.76 -0.74 1.05 -0.54 -1.79 0.00 0.00 174.94 173.68 1ug0 s LYS 18 N 0.79 3.24 -0.20 0.37 3.01 -1.24 -4.91 119.74 120.79 1ug0 s LYS 18 Ca 0.11 0.80 -0.23 0.00 -1.01 0.00 0.00 55.97 55.65 1ug0 s LYS 18 Cb -0.22 -2.04 -0.02 0.00 -1.01 0.00 0.00 37.83 34.54 1ug0 s LYS 18 CO -0.04 -0.85 0.71 0.08 0.51 0.00 0.00 175.35 175.77 1ug0 s VAL 19 N -3.14 4.96 0.69 3.17 1.01 -1.26 -5.05 120.40 120.77 1ug0 s VAL 19 Ca 0.57 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1ug0 s VAL 19 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ug0 s VAL 19 CO 0.54 0.06 1.06 -0.44 0.00 0.00 0.00 175.10 176.32 1ug0 s SER 20 N 1.22 5.54 1.00 3.32 0.01 -1.26 -4.53 113.70 118.99 1ug0 s SER 20 Ca 0.32 1.44 -0.15 0.00 1.31 0.00 0.00 55.95 58.87 1ug0 s SER 20 Cb -0.16 -2.34 0.19 0.00 0.21 0.00 0.00 66.02 63.92 1ug0 s SER 20 CO 0.11 -1.32 1.18 -2.16 0.41 0.00 0.00 173.24 171.46 1ug0 s PRO 21 N -5.15 0.40 0.00 12.44 0.04 -1.26 -4.88 135.00 136.59 1ug0 s PRO 21 Ca 0.57 0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.77 1ug0 s PRO 21 Cb -0.13 -1.78 0.86 0.00 0.04 0.00 0.00 34.50 33.49 1ug0 s PRO 21 CO 0.54 -2.64 1.38 -0.35 0.04 0.00 0.00 177.00 175.96 1ug0 n PRO 22 N -4.02 0.75 0.24 0.56 -0.04 -1.26 -2.97 135.00 128.25 1ug0 n PRO 22 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1ug0 n PRO 22 Cb 0.59 -1.30 0.54 0.00 -0.04 0.00 0.00 33.50 33.29 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 0.00 0.00 0.54 4.81 -1.95 -2.55 114.58 115.43 1ug0 h GLU 23 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 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 0.19 0.02 0.41 -0.73 0.00 0.00 179.01 178.90 1ug0 n GLY 24 N -0.04 -0.83 0.49 1.92 0.00 -1.16 -2.22 105.19 103.36 1ug0 n GLY 24 Ca -0.00 0.19 0.36 0.00 0.00 0.00 0.00 46.02 46.56 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 1.94 2.81 0.00 4.61 0.00 -1.74 1.50 119.26 128.38 1ug0 h ALA 25 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ug0 h ALA 25 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ug0 h ALA 25 CO 0.00 -1.35 -0.22 1.49 0.00 0.00 0.00 179.25 179.16 1ug0 h GLU 26 N 0.13 0.00 -0.17 0.00 4.81 -1.72 -3.34 114.58 114.29 1ug0 h GLU 26 Ca 0.76 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 60.03 1ug0 h GLU 26 Cb 2.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.83 1ug0 h GLU 26 CO -0.30 0.00 0.54 1.15 -0.73 0.00 0.00 179.01 179.67 1ug0 h THR 27 N -0.87 0.08 -0.41 0.32 2.02 -1.41 0.17 112.91 112.80 1ug0 h THR 27 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1ug0 h THR 27 Cb 0.22 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1ug0 h THR 27 CO 0.00 0.00 0.60 -0.09 0.37 0.00 0.00 175.52 176.40 1ug0 h ARG 28 N 0.00 0.00 0.00 6.66 1.12 0.19 1.74 114.38 124.09 1ug0 h ARG 28 Ca 0.08 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.82 1ug0 h ARG 28 Cb 1.16 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.10 1ug0 h ARG 28 CO -0.00 0.00 -0.62 0.00 -3.11 0.00 0.00 179.97 176.24 1ug0 h ARG 29 N 0.00 0.00 0.00 0.20 3.08 -0.89 -0.18 114.38 116.59 1ug0 h ARG 29 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.03 1ug0 h ARG 29 Cb 1.39 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.40 1ug0 h ARG 29 CO -0.00 0.62 -1.88 1.55 -1.07 0.00 0.00 179.97 179.19 1ug0 n VAL 30 N -3.60 1.07 0.06 2.04 3.14 0.53 -4.08 118.33 117.50 1ug0 n VAL 30 Ca -0.00 -0.72 -0.03 0.00 -2.96 0.00 0.00 64.34 60.62 1ug0 n VAL 30 Cb 0.66 -0.53 -0.02 0.00 -1.06 0.00 0.00 33.84 32.89 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 0.00 -1.20 1.55 2.04 0.28 -3.26 117.51 116.92 1ug0 h ILE 31 Ca -0.27 -0.41 0.43 0.00 1.00 0.00 0.00 64.86 65.61 1ug0 h ILE 31 Cb 1.74 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.68 1ug0 h ILE 31 CO 0.03 0.00 0.75 -0.62 0.00 0.00 0.00 178.15 178.31 1ug0 n GLU 32 N -3.69 -0.04 -0.10 2.37 -0.58 -0.08 0.16 120.64 118.68 1ug0 n GLU 32 Ca -0.03 1.17 -0.07 0.00 -0.42 0.00 0.00 57.16 57.82 1ug0 n GLU 32 Cb 0.08 -2.27 -0.00 0.00 -0.57 0.00 0.00 31.44 28.68 1ug0 n GLU 32 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1ug0 h LYS 33 N 0.00 -0.18 -0.57 3.49 1.79 -1.70 1.52 116.57 120.91 1ug0 h LYS 33 Ca 0.80 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.28 1ug0 h LYS 33 Cb 2.50 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 33.16 1ug0 h LYS 33 CO -0.48 -0.12 0.36 1.25 -1.08 0.00 0.00 179.45 179.38 1ug0 h LEU 34 N -0.19 0.67 -0.95 2.94 5.85 0.15 1.72 115.31 125.51 1ug0 h LEU 34 Ca 0.18 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1ug0 h LEU 34 Cb 0.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ug0 h LEU 34 CO -0.47 0.51 -0.45 0.00 -0.34 0.00 0.00 178.44 177.69 1ug0 h ALA 35 N 1.61 1.05 0.00 1.25 0.00 0.00 0.52 119.26 123.68 1ug0 h ALA 35 Ca 0.21 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1ug0 h ALA 35 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ug0 h ALA 35 CO -0.04 0.57 -1.36 -0.09 0.00 0.00 0.00 179.25 178.32 1ug0 h ARG 36 N 0.00 0.00 0.10 0.00 9.65 0.42 -3.05 114.38 121.50 1ug0 h ARG 36 Ca -0.00 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 1ug0 h ARG 36 Cb 0.92 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1ug0 h ARG 36 CO 0.06 0.35 -0.98 0.35 2.80 0.00 0.00 179.97 182.54 1ug0 h PHE 37 N 0.00 0.39 0.00 2.20 3.57 0.27 -3.12 116.94 120.25 1ug0 h PHE 37 Ca -0.16 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1ug0 h PHE 37 Cb 1.62 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ug0 h PHE 37 CO 0.00 1.38 0.00 0.28 -2.23 0.00 0.00 178.31 177.74 1ug0 n VAL 38 N -4.13 0.00 -0.62 1.41 0.31 0.18 -2.75 118.33 112.72 1ug0 n VAL 38 Ca -0.19 0.97 0.49 0.00 -0.01 0.00 0.00 64.34 65.60 1ug0 n VAL 38 Cb 0.80 -1.87 0.77 0.00 -0.91 0.00 0.00 33.84 32.63 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 3.48 0.28 3.52 0.00 -1.69 0.88 119.26 123.73 1ug0 h ALA 39 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ug0 h ALA 39 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ug0 h ALA 39 CO 0.00 -2.10 -0.26 0.93 0.00 0.00 0.00 179.25 177.81 1ug0 h GLU 40 N 0.00 -0.52 0.00 0.00 4.39 -1.47 -3.37 114.58 113.62 1ug0 h GLU 40 Ca 0.92 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.63 1ug0 h GLU 40 Cb 3.43 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 32.19 1ug0 h GLU 40 CO -0.19 -0.34 -0.34 0.78 -1.16 0.00 0.00 179.01 177.76 1ug0 h GLY 41 N -0.54 0.00 0.00 -3.84 0.00 -0.19 -3.51 103.07 94.99 1ug0 h GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ug0 h GLY 41 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1ug0 n GLY 42 N 1.66 0.17 0.16 4.60 0.00 0.27 -4.87 105.19 107.19 1ug0 n GLY 42 Ca -0.07 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.33 1.61 0.13 -1.96 -3.06 132.00 128.38 1ug0 h PRO 43 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1ug0 h PRO 43 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1ug0 h PRO 43 CO 0.00 0.47 0.23 1.49 -0.23 0.00 0.00 178.00 179.95 1ug0 h GLU 44 N 0.00 0.18 -0.01 0.86 4.81 -1.93 0.80 114.58 119.28 1ug0 h GLU 44 Ca -0.00 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 1ug0 h GLU 44 Cb 1.10 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1ug0 h GLU 44 CO 0.06 0.12 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.47 1ug0 h LEU 45 N 0.19 0.54 -0.95 1.64 -0.00 -1.86 -0.94 115.31 113.93 1ug0 h LEU 45 Ca 0.15 -0.42 -0.09 0.00 -0.00 0.00 0.00 57.88 57.51 1ug0 h LEU 45 Cb 0.35 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1ug0 h LEU 45 CO -0.02 1.22 -0.25 -0.08 -0.00 0.00 0.00 178.44 179.30 1ug0 h GLU 46 N 0.24 0.47 0.05 1.13 4.81 -1.00 1.53 114.58 121.81 1ug0 h GLU 46 Ca -0.07 -0.18 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 1ug0 h GLU 46 Cb 1.55 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.90 1ug0 h GLU 46 CO 0.16 0.69 -1.05 0.87 -0.73 0.00 0.00 179.01 178.95 1ug0 h LYS 47 N 0.41 0.25 0.00 1.92 1.57 -0.90 -2.92 116.57 116.91 1ug0 h LYS 47 Ca 0.06 -0.34 -0.19 0.00 -1.87 0.00 0.00 60.65 58.31 1ug0 h LYS 47 Cb 0.66 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1ug0 h LYS 47 CO 0.05 1.10 -0.92 0.28 -0.57 0.00 0.00 179.45 179.38 1ug0 h VAL 48 N 0.11 1.50 -0.34 0.50 2.07 -0.83 -3.27 116.25 115.99 1ug0 h VAL 48 Ca -0.08 -3.14 -0.01 0.00 0.82 0.00 0.00 66.70 64.28 1ug0 h VAL 48 Cb 1.73 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 34.23 1ug0 h VAL 48 CO 0.17 0.86 0.17 0.00 0.02 0.00 0.00 177.57 178.78 1ug0 h ALA 49 N 1.11 0.44 0.00 1.67 0.00 0.22 0.37 119.26 123.06 1ug0 h ALA 49 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ug0 h ALA 49 Cb 1.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ug0 h ALA 49 CO 0.11 -0.01 0.20 0.52 0.00 0.00 0.00 179.25 180.08 1ug0 h MET 50 N 0.41 0.00 0.03 0.00 2.07 -1.56 0.25 114.93 116.13 1ug0 h MET 50 Ca 0.12 0.00 -0.38 0.00 -2.07 0.00 0.00 59.70 57.36 1ug0 h MET 50 Cb 0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.78 1ug0 h MET 50 CO -0.02 0.00 -2.36 0.39 1.07 0.00 0.00 176.91 175.99 1ug0 n GLU 51 N -2.87 0.68 -0.22 1.72 1.02 -0.46 -2.69 120.64 117.81 1ug0 n GLU 51 Ca -0.02 0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1ug0 n GLU 51 Cb 0.25 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.01 0.77 -0.52 1.62 1.82 0.12 -2.58 116.42 117.65 1ug0 h ASP 52 Ca -0.54 -0.08 -0.27 0.00 -0.39 0.00 0.00 57.03 55.74 1ug0 h ASP 52 Cb 1.93 -0.20 -0.16 0.00 0.68 0.00 0.00 39.33 41.58 1ug0 h ASP 52 CO -0.05 0.63 0.11 -1.22 -1.61 0.00 0.00 179.24 177.10 1ug0 n TYR 53 N -4.57 1.62 0.02 0.28 4.01 0.72 -4.66 117.16 114.58 1ug0 n TYR 53 Ca 0.04 -1.68 0.22 0.00 -0.16 0.00 0.00 57.90 56.32 1ug0 n TYR 53 Cb 0.08 -0.62 0.67 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.00 0.00 -2.78 -0.72 3.64 -1.24 -2.87 116.57 113.60 1ug0 h LYS 54 Ca 0.34 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 59.11 1ug0 h LYS 54 Cb 1.98 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.41 1ug0 h LYS 54 CO 0.58 0.00 -0.79 -0.51 -2.27 0.00 0.00 179.45 176.47 1ug0 s ASP 55 N -4.75 3.17 -0.08 4.20 1.11 -1.26 -5.03 116.67 114.02 1ug0 s ASP 55 Ca -0.04 -2.97 -0.01 0.00 0.18 0.00 0.00 52.55 49.71 1ug0 s ASP 55 Cb 0.15 -0.92 0.03 0.00 1.07 0.00 0.00 42.92 43.25 1ug0 s ASP 55 CO 0.51 -0.20 -0.00 0.21 1.18 0.00 0.00 175.17 176.87 1ug0 s ASN 56 N -0.04 1.73 0.32 0.27 3.84 -1.09 -5.00 114.94 114.97 1ug0 s ASN 56 Ca 0.24 -0.16 0.26 0.00 0.21 0.00 0.00 52.86 53.41 1ug0 s ASN 56 Cb -0.12 -0.48 0.89 0.00 -0.55 0.00 0.00 41.25 41.00 1ug0 s ASN 56 CO -0.09 -0.20 1.76 1.55 -2.79 0.00 0.00 177.10 177.33 1ug0 h PRO 57 N 8.31 0.00 0.00 0.43 0.13 -1.97 -2.80 132.00 136.10 1ug0 h PRO 57 Ca -0.20 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.51 1ug0 h PRO 57 Cb 1.12 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1ug0 h PRO 57 CO 0.28 0.00 -2.50 0.00 -0.23 0.00 0.00 178.00 175.55 1ug0 n ALA 58 N -1.88 1.34 -0.22 -0.56 0.00 -1.26 -4.36 120.51 113.56 1ug0 n ALA 58 Ca 0.03 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 1ug0 n ALA 58 Cb 0.36 -0.02 0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.62 1.09 0.43 0.00 3.01 -1.22 -4.26 117.46 112.88 1ug0 n PHE 59 Ca -0.49 -1.30 0.09 0.00 1.01 0.00 0.00 57.45 56.76 1ug0 n PHE 59 Cb 0.95 -0.64 0.37 0.00 -0.01 0.00 0.00 39.48 40.15 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 0.26 0.97 0.35 4.37 -2.24 -1.06 -1.89 114.28 115.04 1ug0 n THR 60 Ca 0.21 0.26 0.14 0.00 -2.27 0.00 0.00 64.05 62.40 1ug0 n THR 60 Cb 0.75 -1.10 0.52 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.81 -3.23 116.94 116.68 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 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.23 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 -2.75 0.00 0.12 2.10 7.94 -0.79 -3.46 117.00 120.16 1ug0 n LEU 62 Ca 0.02 0.93 -0.07 0.00 -1.11 0.00 0.00 56.01 55.78 1ug0 n LEU 62 Cb 0.33 -0.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.81 1ug0 n LEU 62 CO 0.26 -0.43 0.51 0.45 -1.11 0.00 0.00 177.39 177.07 1ug0 h HIS 63 N 0.00 -0.56 -0.74 1.96 3.86 -1.80 -3.34 115.15 114.54 1ug0 h HIS 63 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1ug0 h HIS 63 Cb 0.00 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1ug0 h HIS 63 CO -0.24 -0.27 0.56 -0.51 0.86 0.00 0.00 177.93 178.33 1ug0 s ASP 64 N -3.07 4.56 0.07 2.45 1.11 -1.22 -4.79 116.67 115.79 1ug0 s ASP 64 Ca -0.07 -0.15 -0.35 0.00 0.18 0.00 0.00 52.55 52.16 1ug0 s ASP 64 Cb 0.02 -2.55 -0.19 0.00 1.07 0.00 0.00 42.92 41.27 1ug0 s ASP 64 CO 0.24 -3.21 1.59 0.11 1.18 0.00 0.00 175.17 175.08 1ug0 h LYS 65 N 12.85 -1.06 -3.65 8.23 6.56 -1.69 -3.08 116.57 134.73 1ug0 h LYS 65 Ca 0.00 0.07 -0.53 0.00 -1.06 0.00 0.00 60.65 59.13 1ug0 h LYS 65 Cb 1.04 0.24 0.02 0.00 -0.57 0.00 0.00 32.23 32.96 1ug0 h LYS 65 CO 1.12 -0.71 2.84 0.09 -2.06 0.00 0.00 179.45 180.73 1ug0 n ASN 66 N -5.58 5.00 0.00 0.86 3.02 -1.26 -4.30 115.26 113.00 1ug0 n ASN 66 Ca -0.14 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1ug0 n ASN 66 Cb 0.46 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ug0 n SER 67 N 5.04 0.00 0.00 6.41 2.88 -1.16 -5.08 113.62 121.70 1ug0 n SER 67 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1ug0 n SER 67 Cb 0.24 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.32 0.00 0.00 -1.46 0.00 -1.26 -4.98 116.66 107.64 1ug0 n ARG 68 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 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 0.25 -0.77 2.89 5.08 -1.91 -3.23 114.58 116.89 1ug0 h GLU 69 Ca 0.00 -0.42 0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1ug0 h GLU 69 Cb 0.00 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 1ug0 h GLU 69 CO 0.00 1.20 0.35 0.35 -1.00 0.00 0.00 179.01 179.91 1ug0 h PHE 70 N -0.19 0.62 0.80 4.33 3.57 -1.78 0.23 116.94 124.52 1ug0 h PHE 70 Ca -0.36 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 1ug0 h PHE 70 Cb 1.86 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 40.45 1ug0 h PHE 70 CO 0.10 0.14 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.87 1ug0 h LEU 71 N 0.54 -0.91 -1.81 0.59 -0.00 -1.76 0.24 115.31 112.19 1ug0 h LEU 71 Ca 0.41 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.47 1ug0 h LEU 71 Cb 0.56 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 1ug0 h LEU 71 CO -0.35 -0.55 0.59 0.22 -0.00 0.00 0.00 178.44 178.34 1ug0 h TYR 72 N -1.27 0.00 0.04 1.13 3.20 -1.46 0.31 116.97 118.91 1ug0 h TYR 72 Ca -0.11 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.67 1ug0 h TYR 72 Cb 0.82 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1ug0 h TYR 72 CO 0.00 0.00 -0.43 -0.92 -1.64 0.00 0.00 178.16 175.18 1ug0 h TYR 73 N 0.00 0.14 0.00 -3.82 3.20 -0.14 -3.27 116.97 113.08 1ug0 h TYR 73 Ca 0.25 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ug0 h TYR 73 Cb 1.42 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.68 1ug0 h TYR 73 CO 0.00 1.16 0.00 0.00 -1.64 0.00 0.00 178.16 177.68 1ug0 h ARG 74 N -0.83 0.00 0.00 1.82 2.47 0.17 -1.61 114.38 116.40 1ug0 h ARG 74 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1ug0 h ARG 74 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1ug0 h ARG 74 CO 0.01 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.08 1ug0 n ARG 75 N -2.92 0.00 0.13 0.04 5.12 0.87 -3.40 116.66 116.49 1ug0 n ARG 75 Ca -0.01 0.16 0.19 0.00 -1.93 0.00 0.00 57.85 56.27 1ug0 n ARG 75 Cb 0.19 -0.97 0.76 0.00 -1.16 0.00 0.00 32.46 31.28 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 0.00 -1.06 5.56 1.79 -1.61 0.14 116.57 121.39 1ug0 h LYS 76 Ca 0.00 0.00 0.28 0.00 -2.18 0.00 0.00 60.65 58.75 1ug0 h LYS 76 Cb 0.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 1ug0 h LYS 76 CO 0.00 0.00 0.68 0.28 -1.08 0.00 0.00 179.45 179.33 1ug0 h VAL 77 N 0.00 0.48 -0.01 0.50 2.07 -1.30 1.80 116.25 119.79 1ug0 h VAL 77 Ca 0.16 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 1ug0 h VAL 77 Cb 0.96 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ug0 h VAL 77 CO -0.00 0.07 -0.74 0.00 0.02 0.00 0.00 177.57 176.92 1ug0 h ALA 78 N 1.63 0.75 0.07 1.67 0.00 -0.76 0.22 119.26 122.84 1ug0 h ALA 78 Ca 0.62 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ug0 h ALA 78 Cb 1.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ug0 h ALA 78 CO -0.33 0.88 -0.03 1.49 0.00 0.00 0.00 179.25 181.26 1ug0 h GLU 79 N 0.05 -0.09 -0.45 0.00 4.57 0.24 -3.21 114.58 115.69 1ug0 h GLU 79 Ca -0.01 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 1ug0 h GLU 79 Cb 1.30 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1ug0 h GLU 79 CO 0.10 0.41 -0.23 0.97 -1.18 0.00 0.00 179.01 179.08 1ug0 h ILE 80 N -0.65 1.27 -0.95 2.32 -0.00 -0.01 -3.21 117.51 116.29 1ug0 h ILE 80 Ca -0.01 -1.39 0.09 0.00 -0.00 0.00 0.00 64.86 63.56 1ug0 h ILE 80 Cb 0.54 1.17 -0.12 0.00 -0.00 0.00 0.00 36.82 38.41 1ug0 h ILE 80 CO 0.02 0.48 -0.53 0.54 -0.00 0.00 0.00 178.15 178.65 1ug0 n ARG 81 N -4.10 -0.39 0.00 2.19 5.12 0.76 -1.37 116.66 118.87 1ug0 n ARG 81 Ca -0.00 1.44 0.00 0.00 -1.93 0.00 0.00 57.85 57.36 1ug0 n ARG 81 Cb 0.46 -2.12 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 1ug0 n ARG 81 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ug0 n LYS 82 N -5.22 0.00 0.00 5.56 0.00 -1.21 -4.77 118.16 112.52 1ug0 n LYS 82 Ca 0.03 0.87 0.00 0.00 0.00 0.00 0.00 58.31 59.21 1ug0 n LYS 82 Cb 0.27 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.88 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 -2.58 0.00 0.00 3.14 2.88 -0.47 -4.72 113.62 111.87 1ug0 n SER 83 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 0.00 1.97 3.81 0.46 0.00 -1.26 -5.03 105.19 105.14 1ug0 n GLY 84 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 2.23 -0.21 1.61 0.04 -1.26 -5.08 135.00 132.33 1ug0 s PRO 85 Ca 0.00 0.69 -0.35 0.00 0.04 0.00 0.00 61.00 61.38 1ug0 s PRO 85 Cb 0.00 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1ug0 s PRO 85 CO 0.00 -1.53 1.23 0.45 0.04 0.00 0.00 177.00 177.19 1ug0 s SER 86 N -3.89 -0.13 -0.04 6.66 0.15 -1.26 -5.13 113.70 110.06 1ug0 s SER 86 Ca 0.60 0.02 0.04 0.00 0.70 0.00 0.00 55.95 57.32 1ug0 s SER 86 Cb -0.14 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1ug0 s SER 86 CO 0.54 -0.20 -0.15 -0.94 1.20 0.00 0.00 173.24 173.69 1ug0 s SER 87 N -1.99 3.94 0.00 5.45 1.04 -1.26 -5.29 113.70 115.58 1ug0 s SER 87 Ca 0.09 -0.22 0.31 0.00 0.48 0.00 0.00 55.95 56.60 1ug0 s SER 87 Cb -0.01 -0.80 1.67 0.00 0.10 0.00 0.00 66.02 66.99 1ug0 s SER 87 CO -0.04 0.34 2.10 0.61 0.98 0.00 0.00 173.24 177.22