#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 -5.90 -1.36 1.61 7.64 -1.26 -4.89 113.62 109.47 1ug0 n SER 2 Ca 0.00 1.60 0.00 0.00 1.01 0.00 0.00 58.87 61.48 1ug0 n SER 2 Cb 0.00 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ug0 n SER 3 N 1.88 -7.45 0.09 6.43 2.88 -1.26 -5.05 113.62 111.14 1ug0 n SER 3 Ca -0.12 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1ug0 n SER 3 Cb 0.19 -3.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 1ug0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug0 n GLY 4 N -0.03 -0.17 3.20 0.46 0.00 -1.26 -5.10 105.19 102.29 1ug0 n GLY 4 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ug0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 s SER 5 N -5.39 -0.75 0.40 1.61 0.01 -1.26 -5.15 113.70 103.17 1ug0 s SER 5 Ca 0.00 0.56 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 1ug0 s SER 5 Cb 0.00 1.66 -0.09 0.00 0.21 0.00 0.00 66.02 67.81 1ug0 s SER 5 CO 0.00 -0.14 1.10 -0.44 0.41 0.00 0.00 173.24 174.17 1ug0 s SER 6 N 2.85 6.65 0.00 2.44 0.01 -1.26 -5.03 113.70 119.36 1ug0 s SER 6 Ca 0.05 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1ug0 s SER 6 Cb -0.11 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ug0 s SER 6 CO -0.15 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1ug0 n GLY 7 N 0.49 5.24 1.48 3.44 0.00 -1.26 -5.12 105.19 109.46 1ug0 n GLY 7 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.00 -0.47 1.61 1.02 -1.26 -4.77 120.64 116.78 1ug0 n GLU 8 Ca 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 57.16 57.55 1ug0 n GLU 8 Cb 0.00 -0.15 0.68 0.00 -0.02 0.00 0.00 31.44 31.95 1ug0 n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug0 h GLU 9 N 0.00 0.00 -1.00 3.49 3.07 -2.01 0.87 114.58 119.01 1ug0 h GLU 9 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.15 1ug0 h GLU 9 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1ug0 h GLU 9 CO 0.00 0.00 0.96 -0.44 -1.40 0.00 0.00 179.01 178.13 1ug0 h ASP 10 N 0.00 0.00 0.00 1.42 5.19 -1.99 0.78 116.42 121.82 1ug0 h ASP 10 Ca 0.72 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 1ug0 h ASP 10 Cb 3.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.73 1ug0 h ASP 10 CO -0.01 0.00 0.47 0.10 -3.12 0.00 0.00 179.24 176.68 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 0.48 1.01 116.97 123.01 1ug0 h TYR 11 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.16 1ug0 h TYR 11 Cb 2.39 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 39.11 1ug0 h TYR 11 CO 0.00 0.00 -1.81 -0.85 -0.00 0.00 0.00 178.16 175.50 1ug0 n GLU 12 N -2.73 0.66 0.05 0.10 0.28 0.27 -3.61 120.64 115.66 1ug0 n GLU 12 Ca -0.01 -0.13 0.06 0.00 -0.16 0.00 0.00 57.16 56.92 1ug0 n GLU 12 Cb 0.50 -1.40 0.29 0.00 1.43 0.00 0.00 31.44 32.27 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 -2.16 0.06 0.01 3.44 10.64 0.35 -0.64 117.38 129.07 1ug0 n GLN 13 Ca -0.07 0.42 -0.02 0.00 -1.83 0.00 0.00 57.00 55.50 1ug0 n GLN 13 Cb 0.53 -1.64 -0.10 0.00 -0.86 0.00 0.00 30.24 28.16 1ug0 n GLN 13 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1ug0 n TRP 14 N -1.75 0.90 -0.16 2.61 7.02 -1.05 -3.99 117.44 121.02 1ug0 n TRP 14 Ca 0.01 0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.70 1ug0 n TRP 14 Cb 0.11 -1.09 -0.00 0.00 -2.42 0.00 0.00 31.31 27.91 1ug0 n TRP 14 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1ug0 h LEU 15 N 0.00 0.79 -1.29 -0.99 5.85 -1.09 -2.64 115.31 115.94 1ug0 h LEU 15 Ca -0.21 -0.30 0.36 0.00 0.84 0.00 0.00 57.88 58.57 1ug0 h LEU 15 Cb 1.71 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 42.41 1ug0 h LEU 15 CO 0.05 0.89 0.73 -0.33 -0.34 0.00 0.00 178.44 179.44 1ug0 h GLU 16 N 0.66 0.22 -3.99 1.25 5.08 -1.64 -3.06 114.58 113.10 1ug0 h GLU 16 Ca 0.13 -0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.79 1ug0 h GLU 16 Cb 0.48 -0.05 -0.36 0.00 0.50 0.00 0.00 28.75 29.33 1ug0 h GLU 16 CO 0.02 0.15 -0.48 0.96 -1.00 0.00 0.00 179.01 178.65 1ug0 s ILE 17 N -5.44 3.36 0.21 3.13 -5.25 -0.99 -5.08 121.20 111.13 1ug0 s ILE 17 Ca -0.08 -2.60 -0.03 0.00 -0.99 0.00 0.00 60.65 56.94 1ug0 s ILE 17 Cb 0.29 -3.26 0.05 0.00 2.95 0.00 0.00 42.46 42.48 1ug0 s ILE 17 CO 0.81 -0.78 0.27 0.29 -1.79 0.00 0.00 174.94 173.74 1ug0 n LYS 18 N 3.94 -0.33 -2.58 0.37 4.76 -1.16 -4.90 118.16 118.26 1ug0 n LYS 18 Ca 0.03 -0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 54.81 1ug0 n LYS 18 Cb 0.39 -0.29 0.03 0.00 -1.84 0.00 0.00 35.03 33.33 1ug0 n LYS 18 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ug0 s VAL 19 N -1.59 3.24 0.04 -0.18 -7.23 -1.26 -5.06 120.40 108.35 1ug0 s VAL 19 Ca 0.16 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 60.04 1ug0 s VAL 19 Cb -0.00 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.64 1ug0 s VAL 19 CO 0.11 -0.23 -0.19 -0.94 -0.31 0.00 0.00 175.10 173.54 1ug0 s SER 20 N -4.35 3.73 1.01 4.85 1.04 -1.26 -3.76 113.70 114.95 1ug0 s SER 20 Ca 0.54 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 1ug0 s SER 20 Cb -0.10 -0.58 0.20 0.00 0.10 0.00 0.00 66.02 65.63 1ug0 s SER 20 CO 0.41 0.26 1.18 -2.16 0.98 0.00 0.00 173.24 173.92 1ug0 s PRO 21 N -1.37 0.35 0.00 4.02 0.04 -1.26 -4.90 135.00 131.88 1ug0 s PRO 21 Ca 0.14 -0.01 0.15 0.00 0.04 0.00 0.00 61.00 61.32 1ug0 s PRO 21 Cb -0.10 -1.77 0.88 0.00 0.04 0.00 0.00 34.50 33.55 1ug0 s PRO 21 CO 0.05 -2.67 1.40 -0.35 0.04 0.00 0.00 177.00 175.46 1ug0 n PRO 22 N -4.04 0.75 0.22 0.56 -0.04 -1.25 -3.02 135.00 128.19 1ug0 n PRO 22 Ca 0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1ug0 n PRO 22 Cb 0.59 -1.31 0.50 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 -2.63 114.58 115.61 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 0.25 0.34 0.78 -1.00 0.00 0.00 179.01 179.39 1ug0 h GLY 24 N 1.47 0.00 0.76 -3.84 0.00 -1.87 0.28 103.07 99.88 1ug0 h GLY 24 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1ug0 h GLY 24 CO 0.03 0.00 0.54 0.00 0.00 0.00 0.00 176.54 177.11 1ug0 h ALA 25 N 1.28 1.89 0.05 3.60 0.00 -1.76 0.39 119.26 124.71 1ug0 h ALA 25 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ug0 h ALA 25 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ug0 h ALA 25 CO 0.00 -0.68 -0.02 0.93 0.00 0.00 0.00 179.25 179.47 1ug0 h GLU 26 N 0.00 -0.06 0.00 0.00 5.08 -1.20 -3.26 114.58 115.14 1ug0 h GLU 26 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ug0 h GLU 26 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ug0 h GLU 26 CO -0.00 0.36 0.00 2.41 -1.00 0.00 0.00 179.01 180.78 1ug0 n THR 27 N -4.76 0.97 -0.25 1.13 -1.04 0.17 -2.84 114.28 107.67 1ug0 n THR 27 Ca -0.05 0.50 0.02 0.00 -2.04 0.00 0.00 64.05 62.48 1ug0 n THR 27 Cb 0.22 -1.47 0.09 0.00 -1.82 0.00 0.00 70.33 67.35 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 0.02 -0.18 -2.82 1.12 -0.39 1.93 114.38 114.05 1ug0 h ARG 28 Ca 0.00 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.92 1ug0 h ARG 28 Cb 0.16 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1ug0 h ARG 28 CO 0.00 0.01 0.22 0.00 -3.11 0.00 0.00 179.97 177.09 1ug0 h ARG 29 N 0.02 0.00 0.00 0.20 3.08 -1.73 1.05 114.38 117.00 1ug0 h ARG 29 Ca 0.35 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.25 1ug0 h ARG 29 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1ug0 h ARG 29 CO -0.72 0.00 -1.79 0.28 -1.07 0.00 0.00 179.97 176.67 1ug0 n VAL 30 N -3.72 0.85 -0.03 2.04 0.31 0.54 -4.04 118.33 114.28 1ug0 n VAL 30 Ca 0.02 -0.67 -0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1ug0 n VAL 30 Cb 0.34 -0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.00 0.00 -0.88 2.52 2.04 0.57 -3.33 117.51 118.42 1ug0 h ILE 31 Ca -0.20 -0.51 0.36 0.00 1.00 0.00 0.00 64.86 65.52 1ug0 h ILE 31 Cb 1.53 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.46 1ug0 h ILE 31 CO 0.02 0.00 0.49 -0.62 0.00 0.00 0.00 178.15 178.04 1ug0 n GLU 32 N -3.42 -0.05 -0.17 2.37 1.02 0.33 0.14 120.64 120.86 1ug0 n GLU 32 Ca -0.00 1.18 -0.07 0.00 -0.02 0.00 0.00 57.16 58.25 1ug0 n GLU 32 Cb 0.00 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.28 1ug0 n GLU 32 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1ug0 h LYS 33 N 0.00 -0.21 -0.44 3.49 1.79 -1.70 1.65 116.57 121.15 1ug0 h LYS 33 Ca 0.73 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 59.29 1ug0 h LYS 33 Cb 1.97 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 32.61 1ug0 h LYS 33 CO -0.64 -0.14 0.05 1.25 -1.08 0.00 0.00 179.45 178.89 1ug0 h LEU 34 N -0.22 -0.07 1.01 2.94 6.46 0.11 0.13 115.31 125.66 1ug0 h LEU 34 Ca 0.19 0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1ug0 h LEU 34 Cb 0.55 0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1ug0 h LEU 34 CO -0.62 -0.00 -0.49 0.00 -0.62 0.00 0.00 178.44 176.71 1ug0 h ALA 35 N 1.36 -1.36 -1.31 1.25 0.00 -0.45 0.58 119.26 119.33 1ug0 h ALA 35 Ca 0.22 -0.30 0.39 0.00 0.00 0.00 0.00 54.91 55.22 1ug0 h ALA 35 Cb 0.30 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1ug0 h ALA 35 CO -0.32 -1.26 0.89 -0.09 0.00 0.00 0.00 179.25 178.47 1ug0 h ARG 36 N -1.37 0.13 0.01 0.00 9.65 0.27 1.03 114.38 124.10 1ug0 h ARG 36 Ca -0.14 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 1ug0 h ARG 36 Cb 1.04 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1ug0 h ARG 36 CO 0.23 0.08 -0.09 0.35 2.80 0.00 0.00 179.97 183.34 1ug0 h PHE 37 N 0.13 0.07 0.06 2.20 3.57 -0.06 -2.92 116.94 119.98 1ug0 h PHE 37 Ca 0.71 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 62.16 1ug0 h PHE 37 Cb 2.39 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.13 1ug0 h PHE 37 CO -0.00 0.96 -0.03 0.28 -2.23 0.00 0.00 178.31 177.29 1ug0 h VAL 38 N -0.84 0.00 -1.58 1.41 2.07 0.36 -2.67 116.25 115.00 1ug0 h VAL 38 Ca -0.01 -0.03 0.51 0.00 0.82 0.00 0.00 66.70 67.98 1ug0 h VAL 38 Cb 1.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.65 1ug0 h VAL 38 CO 0.02 0.00 1.07 0.00 0.02 0.00 0.00 177.57 178.68 1ug0 h ALA 39 N -1.93 3.19 0.18 1.67 0.00 0.70 0.54 119.26 123.60 1ug0 h ALA 39 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ug0 h ALA 39 Cb 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ug0 h ALA 39 CO 0.01 -1.83 -0.11 0.93 0.00 0.00 0.00 179.25 178.25 1ug0 h GLU 40 N 0.01 -0.26 0.04 0.00 4.39 -1.36 -3.38 114.58 114.02 1ug0 h GLU 40 Ca 0.90 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.61 1ug0 h GLU 40 Cb 3.14 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.85 1ug0 h GLU 40 CO -0.30 -0.18 -0.02 0.78 -1.16 0.00 0.00 179.01 178.13 1ug0 h GLY 41 N -0.27 -0.06 0.00 -3.84 0.00 -0.32 -3.51 103.07 95.07 1ug0 h GLY 41 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ug0 h GLY 41 CO 0.02 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ug0 n GLY 42 N 1.46 -0.36 0.15 4.60 0.00 0.16 -4.93 105.19 106.26 1ug0 n GLY 42 Ca -0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.70 1.61 0.13 -1.97 -3.10 132.00 128.26 1ug0 h PRO 43 Ca 0.00 -0.27 0.20 0.00 -0.87 0.00 0.00 66.00 65.06 1ug0 h PRO 43 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1ug0 h PRO 43 CO 0.00 0.96 0.52 1.49 -0.23 0.00 0.00 178.00 180.74 1ug0 h GLU 44 N 0.17 0.00 0.32 0.86 4.81 -1.94 -1.41 114.58 117.39 1ug0 h GLU 44 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ug0 h GLU 44 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1ug0 h GLU 44 CO 0.13 0.00 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.19 1ug0 h LEU 45 N 0.00 -0.37 -1.19 1.64 -0.00 -1.87 -1.27 115.31 112.26 1ug0 h LEU 45 Ca 0.33 -0.02 0.40 0.00 -0.00 0.00 0.00 57.88 58.59 1ug0 h LEU 45 Cb 1.37 0.09 -0.15 0.00 -0.00 0.00 0.00 40.66 41.98 1ug0 h LEU 45 CO -0.00 0.09 0.69 -0.08 -0.00 0.00 0.00 178.44 179.14 1ug0 h GLU 46 N -1.10 0.13 0.28 1.13 4.22 -1.35 1.53 114.58 119.43 1ug0 h GLU 46 Ca -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1ug0 h GLU 46 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ug0 h GLU 46 CO 0.07 0.09 -0.13 0.87 -2.18 0.00 0.00 179.01 177.72 1ug0 h LYS 47 N 0.13 -0.36 -0.64 1.92 1.57 -1.32 -2.87 116.57 115.00 1ug0 h LYS 47 Ca 0.80 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.74 1ug0 h LYS 47 Cb 2.23 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 34.51 1ug0 h LYS 47 CO -0.56 -0.24 -0.04 0.28 -0.57 0.00 0.00 179.45 178.32 1ug0 h VAL 48 N -0.78 0.44 -0.57 0.50 2.07 0.29 -0.69 116.25 117.51 1ug0 h VAL 48 Ca -0.04 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1ug0 h VAL 48 Cb 0.29 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1ug0 h VAL 48 CO 0.06 0.02 -0.56 0.00 0.02 0.00 0.00 177.57 177.11 1ug0 h ALA 49 N 1.60 -0.71 -0.54 1.67 0.00 0.20 1.83 119.26 123.32 1ug0 h ALA 49 Ca 0.33 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.43 1ug0 h ALA 49 Cb 0.54 1.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1ug0 h ALA 49 CO -0.58 -1.02 0.80 0.52 0.00 0.00 0.00 179.25 178.96 1ug0 h MET 50 N -0.29 0.00 0.00 0.00 2.07 -0.89 0.77 114.93 116.59 1ug0 h MET 50 Ca 0.10 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.48 1ug0 h MET 50 Cb 0.55 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.24 1ug0 h MET 50 CO -0.69 0.00 -1.56 -1.91 1.07 0.00 0.00 176.91 173.82 1ug0 n GLU 51 N -3.26 0.55 0.31 1.72 4.07 0.49 -3.05 120.64 121.48 1ug0 n GLU 51 Ca 0.11 0.41 0.18 0.00 -0.06 0.00 0.00 57.16 57.80 1ug0 n GLU 51 Cb 0.98 -1.61 0.94 0.00 -0.06 0.00 0.00 31.44 31.69 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 -1.00 0.00 -0.17 4.31 1.82 0.39 0.66 116.42 122.44 1ug0 h ASP 52 Ca -0.37 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.25 1ug0 h ASP 52 Cb 1.25 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.25 1ug0 h ASP 52 CO -0.23 0.00 -0.02 -1.22 -1.61 0.00 0.00 179.24 176.17 1ug0 n TYR 53 N -3.09 0.60 -0.57 0.28 4.01 0.25 -4.72 117.16 113.93 1ug0 n TYR 53 Ca -0.01 -0.99 0.44 0.00 -0.16 0.00 0.00 57.90 57.18 1ug0 n TYR 53 Cb 0.29 -0.27 0.71 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.90 -0.02 -3.77 -0.72 4.81 0.23 -1.22 118.16 116.58 1ug0 n LYS 54 Ca 0.20 1.09 -0.32 0.00 -0.87 0.00 0.00 58.31 58.41 1ug0 n LYS 54 Cb 0.81 -2.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.44 1ug0 n LYS 54 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ug0 s ASP 55 N -4.06 5.38 -0.24 3.14 1.11 -1.26 -5.05 116.67 115.70 1ug0 s ASP 55 Ca -0.06 -3.74 -0.07 0.00 0.18 0.00 0.00 52.55 48.87 1ug0 s ASP 55 Cb 0.27 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.46 1ug0 s ASP 55 CO 0.81 -0.14 0.05 0.54 1.18 0.00 0.00 175.17 177.61 1ug0 s ASN 56 N -0.73 5.08 -0.05 0.27 2.20 -0.36 -5.01 114.94 116.34 1ug0 s ASN 56 Ca 0.26 -0.20 -0.08 0.00 -0.94 0.00 0.00 52.86 51.90 1ug0 s ASN 56 Cb -0.07 -1.90 -0.04 0.00 -2.00 0.00 0.00 41.25 37.24 1ug0 s ASN 56 CO -0.14 -0.01 0.36 1.55 -2.94 0.00 0.00 177.10 175.93 1ug0 h PRO 57 N 8.03 -0.27 0.00 3.55 0.13 -1.96 -3.33 132.00 138.14 1ug0 h PRO 57 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ug0 h PRO 57 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ug0 h PRO 57 CO 0.59 -0.18 -1.34 0.00 -0.23 0.00 0.00 178.00 176.84 1ug0 n ALA 58 N -2.61 3.16 -0.06 -0.56 0.00 -1.26 -4.11 120.51 115.06 1ug0 n ALA 58 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1ug0 n ALA 58 Cb 0.11 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.15 1.28 0.67 0.00 3.01 -1.26 -4.14 117.46 114.87 1ug0 n PHE 59 Ca -0.00 -1.18 0.12 0.00 1.01 0.00 0.00 57.45 57.40 1ug0 n PHE 59 Cb 0.49 -0.59 0.47 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.08 0.54 0.23 4.37 -2.24 -1.25 -2.91 114.28 112.95 1ug0 n THR 60 Ca 0.25 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 1ug0 n THR 60 Cb 0.92 -0.75 0.43 0.00 -2.10 0.00 0.00 70.33 68.83 1ug0 n THR 60 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1ug0 n PHE 61 N -1.88 0.55 -0.13 4.78 -1.74 -1.26 -1.89 117.46 115.89 1ug0 n PHE 61 Ca 0.05 0.26 -0.10 0.00 -0.56 0.00 0.00 57.45 57.10 1ug0 n PHE 61 Cb 0.31 -0.91 -0.02 0.00 1.52 0.00 0.00 39.48 40.38 1ug0 n PHE 61 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1ug0 h LEU 62 N 0.00 0.59 -3.36 5.98 3.38 -1.89 -2.39 115.31 117.61 1ug0 h LEU 62 Ca 0.00 -0.25 -0.34 0.00 0.09 0.00 0.00 57.88 57.38 1ug0 h LEU 62 Cb 0.13 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 40.56 1ug0 h LEU 62 CO 0.00 0.69 0.44 0.00 0.09 0.00 0.00 178.44 179.65 1ug0 n HIS 63 N -4.56 1.76 -3.39 1.13 1.44 -0.79 -4.59 115.22 106.21 1ug0 n HIS 63 Ca -0.01 -1.75 -0.19 0.00 -2.01 0.00 0.00 57.72 53.76 1ug0 n HIS 63 Cb 0.22 -0.86 -0.09 0.00 0.12 0.00 0.00 29.99 29.38 1ug0 n HIS 63 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ug0 s ASP 64 N -0.19 1.58 0.00 4.39 -1.08 -0.90 -5.07 116.67 115.40 1ug0 s ASP 64 Ca 0.34 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 1ug0 s ASP 64 Cb 0.28 0.41 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1ug0 s ASP 64 CO 0.02 -0.31 0.21 0.29 0.52 0.00 0.00 175.17 175.90 1ug0 n LYS 65 N 4.54 0.00 -1.24 4.34 4.76 -1.26 -3.72 118.16 125.58 1ug0 n LYS 65 Ca 0.07 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 1ug0 n LYS 65 Cb 0.44 -0.70 -0.06 0.00 -1.84 0.00 0.00 35.03 32.88 1ug0 n LYS 65 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1ug0 n ASN 66 N -0.21 2.61 0.00 4.39 0.23 -1.26 -4.34 115.26 116.68 1ug0 n ASN 66 Ca 0.00 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.36 1ug0 n ASN 66 Cb 0.00 -1.18 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1ug0 n SER 67 N 7.96 0.00 0.00 0.53 2.88 -1.24 -5.09 113.62 118.66 1ug0 n SER 67 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ug0 n SER 67 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.73 0.00 -0.04 -1.46 0.00 -1.26 -4.96 116.66 108.21 1ug0 n ARG 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 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 -1.91 0.00 0.00 0.00 177.63 175.72 1ug0 n GLU 69 N 0.00 0.67 0.07 2.89 2.13 -1.26 -3.60 120.64 121.54 1ug0 n GLU 69 Ca 0.00 0.22 -0.02 0.00 0.66 0.00 0.00 57.16 58.02 1ug0 n GLU 69 Cb 0.00 -1.71 0.23 0.00 0.27 0.00 0.00 31.44 30.23 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1ug0 h PHE 70 N 0.02 0.37 0.10 4.31 3.57 -1.75 -1.42 116.94 122.13 1ug0 h PHE 70 Ca -0.38 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1ug0 h PHE 70 Cb 2.05 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.71 1ug0 h PHE 70 CO 0.02 0.63 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.61 1ug0 h LEU 71 N 0.28 -0.12 -1.11 0.59 -0.00 -1.76 -3.12 115.31 110.08 1ug0 h LEU 71 Ca 0.03 -0.38 0.08 0.00 -0.00 0.00 0.00 57.88 57.61 1ug0 h LEU 71 Cb 0.74 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.36 1ug0 h LEU 71 CO 0.06 0.35 0.60 0.22 -0.00 0.00 0.00 178.44 179.67 1ug0 h TYR 72 N -0.62 1.06 -0.21 1.13 3.20 -1.60 0.10 116.97 120.05 1ug0 h TYR 72 Ca -0.01 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1ug0 h TYR 72 Cb 0.49 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1ug0 h TYR 72 CO 0.07 0.51 0.20 -0.92 -1.64 0.00 0.00 178.16 176.38 1ug0 h TYR 73 N 1.01 0.00 0.06 -3.82 3.20 -1.21 -0.35 116.97 115.85 1ug0 h TYR 73 Ca 0.42 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.97 1ug0 h TYR 73 Cb 0.31 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1ug0 h TYR 73 CO -0.00 0.00 -1.80 0.00 -1.64 0.00 0.00 178.16 174.72 1ug0 h ARG 74 N 0.00 0.13 -0.24 1.82 3.08 -0.80 -2.67 114.38 115.69 1ug0 h ARG 74 Ca 0.10 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1ug0 h ARG 74 Cb 0.49 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1ug0 h ARG 74 CO -0.00 0.83 0.07 0.00 -1.07 0.00 0.00 179.97 179.81 1ug0 h ARG 75 N 0.03 0.34 0.09 0.04 2.47 0.29 -2.22 114.38 115.42 1ug0 h ARG 75 Ca -0.33 -0.04 -0.31 0.00 -1.26 0.00 0.00 59.98 58.03 1ug0 h ARG 75 Cb 2.02 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 30.25 1ug0 h ARG 75 CO 0.09 0.30 -1.66 0.87 0.56 0.00 0.00 179.97 180.13 1ug0 h LYS 76 N 0.34 0.19 -0.81 0.04 1.79 -1.32 -3.31 116.57 113.48 1ug0 h LYS 76 Ca 0.08 -0.32 0.20 0.00 -2.18 0.00 0.00 60.65 58.43 1ug0 h LYS 76 Cb 0.11 0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 30.75 1ug0 h LYS 76 CO -0.01 0.99 0.19 0.28 -1.08 0.00 0.00 179.45 179.82 1ug0 h VAL 77 N 0.05 0.40 -0.05 0.50 2.07 -1.04 1.73 116.25 119.91 1ug0 h VAL 77 Ca -0.29 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1ug0 h VAL 77 Cb 2.01 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1ug0 h VAL 77 CO 0.13 0.04 -0.29 0.00 0.02 0.00 0.00 177.57 177.47 1ug0 h ALA 78 N 1.71 1.43 0.24 1.67 0.00 -1.60 0.92 119.26 123.63 1ug0 h ALA 78 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ug0 h ALA 78 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ug0 h ALA 78 CO -0.60 0.42 -0.11 1.49 0.00 0.00 0.00 179.25 180.44 1ug0 h GLU 79 N 0.08 -0.31 -0.76 0.00 4.57 0.21 -2.91 114.58 115.46 1ug0 h GLU 79 Ca 0.01 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1ug0 h GLU 79 Cb 0.56 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1ug0 h GLU 79 CO 0.04 0.01 0.25 0.97 -1.18 0.00 0.00 179.01 179.11 1ug0 h ILE 80 N -0.97 1.26 -0.17 2.32 -0.00 0.89 -3.13 117.51 117.71 1ug0 h ILE 80 Ca -0.03 -0.89 0.02 0.00 -0.00 0.00 0.00 64.86 63.97 1ug0 h ILE 80 Cb 0.46 0.41 -0.05 0.00 -0.00 0.00 0.00 36.82 37.65 1ug0 h ILE 80 CO 0.05 0.35 -0.34 0.03 -0.00 0.00 0.00 178.15 178.24 1ug0 h ARG 81 N 1.12 -0.29 -7.11 2.19 2.47 0.81 -3.40 114.38 110.16 1ug0 h ARG 81 Ca 0.25 0.02 -0.51 0.00 -1.26 0.00 0.00 59.98 58.48 1ug0 h ARG 81 Cb 0.28 0.07 0.09 0.00 -1.65 0.00 0.00 29.97 28.76 1ug0 h ARG 81 CO -0.01 -0.20 0.43 0.15 0.56 0.00 0.00 179.97 180.90 1ug0 s LYS 82 N -4.66 3.14 -0.49 0.04 -0.14 -1.10 -5.01 119.74 111.53 1ug0 s LYS 82 Ca -0.09 1.64 0.06 0.00 -1.36 0.00 0.00 55.97 56.22 1ug0 s LYS 82 Cb 0.05 -1.97 0.21 0.00 -1.68 0.00 0.00 37.83 34.44 1ug0 s LYS 82 CO 0.38 -1.02 0.74 0.43 -0.76 0.00 0.00 175.35 175.12 1ug0 n SER 83 N -1.58 -2.65 0.00 2.83 7.64 -1.26 -4.88 113.62 113.72 1ug0 n SER 83 Ca 0.12 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1ug0 n SER 83 Cb 0.51 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug0 n GLY 84 N 2.26 3.64 2.93 0.23 0.00 -1.26 -4.62 105.19 108.38 1ug0 n GLY 84 Ca 0.16 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 13.57 -1.85 -3.15 1.61 -0.04 -1.26 -5.09 135.00 138.78 1ug0 n PRO 85 Ca 0.00 -1.52 0.06 0.00 -0.04 0.00 0.00 63.50 62.00 1ug0 n PRO 85 Cb 0.00 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 s SER 86 N -4.37 -0.14 -0.46 3.54 0.15 -1.26 -5.12 113.70 106.03 1ug0 s SER 86 Ca 0.58 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 57.09 1ug0 s SER 86 Cb -0.03 1.11 0.03 0.00 -1.71 0.00 0.00 66.02 65.42 1ug0 s SER 86 CO 0.43 -0.03 0.67 -0.44 1.20 0.00 0.00 173.24 175.07 1ug0 s SER 87 N 2.99 6.31 0.00 5.45 0.01 -1.26 -5.22 113.70 121.98 1ug0 s SER 87 Ca 0.01 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1ug0 s SER 87 Cb -0.07 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1ug0 s SER 87 CO -0.11 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.31