#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 6.92 -0.74 1.61 0.01 -1.26 -5.01 113.70 115.23 1ug0 s SER 2 Ca 0.00 1.29 -0.23 0.00 1.31 0.00 0.00 55.95 58.32 1ug0 s SER 2 Cb 0.00 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.93 1ug0 s SER 2 CO 0.00 -0.02 1.06 -0.94 0.41 0.00 0.00 173.24 173.75 1ug0 s SER 3 N -1.86 6.27 0.00 2.44 1.04 -1.26 -4.32 113.70 116.00 1ug0 s SER 3 Ca 0.45 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1ug0 s SER 3 Cb -0.14 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1ug0 s SER 3 CO 0.20 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.59 1ug0 n GLY 4 N 5.46 -0.32 3.03 7.32 0.00 -1.26 -5.12 105.19 114.30 1ug0 n GLY 4 Ca 0.04 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 4.80 -0.61 1.61 0.01 -1.26 -5.05 113.70 113.20 1ug0 s SER 5 Ca 0.00 -2.47 -0.27 0.00 1.31 0.00 0.00 55.95 54.52 1ug0 s SER 5 Cb 0.00 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.51 1ug0 s SER 5 CO 0.00 -0.37 1.86 -0.94 0.41 0.00 0.00 173.24 174.20 1ug0 s SER 6 N 0.71 5.29 0.00 2.44 1.04 -1.26 -4.71 113.70 117.21 1ug0 s SER 6 Ca 0.13 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1ug0 s SER 6 Cb -0.22 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1ug0 s SER 6 CO -0.04 -2.36 0.00 0.61 0.98 0.00 0.00 173.24 172.42 1ug0 n GLY 7 N 5.69 -1.23 2.65 7.32 0.00 -1.26 -4.94 105.19 113.41 1ug0 n GLY 7 Ca 0.20 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.36 0.60 1.61 0.41 -1.26 -4.98 118.70 115.44 1ug0 s GLU 8 Ca 0.00 -0.54 0.28 0.00 -0.41 0.00 0.00 54.97 54.29 1ug0 s GLU 8 Cb 0.00 -0.92 1.19 0.00 -1.78 0.00 0.00 34.13 32.62 1ug0 s GLU 8 CO 0.00 -1.08 1.59 0.93 -0.49 0.00 0.00 175.26 176.21 1ug0 h GLU 9 N 7.95 0.00 -1.54 1.61 5.08 -1.97 0.24 114.58 125.95 1ug0 h GLU 9 Ca -0.10 0.00 0.47 0.00 -1.00 0.00 0.00 59.36 58.73 1ug0 h GLU 9 Cb 1.04 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.19 1ug0 h GLU 9 CO 0.34 0.00 1.06 -0.44 -1.00 0.00 0.00 179.01 178.97 1ug0 h ASP 10 N 0.00 0.12 -0.41 1.42 5.19 -1.99 1.23 116.42 121.98 1ug0 h ASP 10 Ca 0.35 0.06 0.12 0.00 -0.62 0.00 0.00 57.03 56.94 1ug0 h ASP 10 Cb 2.07 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 41.62 1ug0 h ASP 10 CO -0.00 -0.08 0.72 0.10 -3.12 0.00 0.00 179.24 176.86 1ug0 h TYR 11 N 0.05 0.00 0.00 4.55 -0.00 -0.85 1.52 116.97 122.24 1ug0 h TYR 11 Ca 0.82 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 59.32 1ug0 h TYR 11 Cb 2.94 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 39.63 1ug0 h TYR 11 CO -0.00 0.00 -2.01 -1.91 -0.00 0.00 0.00 178.16 174.24 1ug0 n GLU 12 N -3.18 0.66 0.07 0.10 4.07 0.42 -3.85 120.64 118.93 1ug0 n GLU 12 Ca 0.08 0.02 0.06 0.00 -0.06 0.00 0.00 57.16 57.26 1ug0 n GLU 12 Cb 0.87 -1.61 0.30 0.00 -0.06 0.00 0.00 31.44 30.94 1ug0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ug0 n GLN 13 N -2.68 0.07 0.11 5.31 10.64 0.52 0.21 117.38 131.56 1ug0 n GLN 13 Ca -0.19 0.49 0.10 0.00 -1.83 0.00 0.00 57.00 55.56 1ug0 n GLN 13 Cb 0.92 -1.69 0.01 0.00 -0.86 0.00 0.00 30.24 28.63 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 0.00 2.61 4.06 -1.61 -3.26 115.95 117.75 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 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1ug0 h TRP 14 CO 0.00 0.09 -0.30 -0.07 -3.56 0.00 0.00 178.44 174.60 1ug0 h LEU 15 N 0.00 0.00 -1.07 -4.49 3.38 -0.44 -2.63 115.31 110.06 1ug0 h LEU 15 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ug0 h LEU 15 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1ug0 h LEU 15 CO 0.01 0.30 0.06 -0.33 0.09 0.00 0.00 178.44 178.57 1ug0 h GLU 16 N 0.00 0.72 -3.96 1.13 5.08 -1.59 -3.35 114.58 112.62 1ug0 h GLU 16 Ca -0.00 -0.16 -0.77 0.00 -1.00 0.00 0.00 59.36 57.43 1ug0 h GLU 16 Cb 0.73 -0.10 -0.26 0.00 0.50 0.00 0.00 28.75 29.61 1ug0 h GLU 16 CO 0.04 0.69 -0.10 0.42 -1.00 0.00 0.00 179.01 179.06 1ug0 s ILE 17 N -5.09 5.17 0.52 3.13 1.09 -0.99 -5.05 121.20 119.98 1ug0 s ILE 17 Ca -0.09 -2.09 -0.09 0.00 -1.10 0.00 0.00 60.65 57.27 1ug0 s ILE 17 Cb 0.15 -4.27 -0.05 0.00 -1.06 0.00 0.00 42.46 37.24 1ug0 s ILE 17 CO 0.79 -0.93 0.89 -0.54 -0.10 0.00 0.00 174.94 175.05 1ug0 s LYS 18 N 0.78 3.64 0.40 2.79 -0.14 -1.26 -4.94 119.74 121.01 1ug0 s LYS 18 Ca 0.11 0.52 -0.07 0.00 -1.36 0.00 0.00 55.97 55.17 1ug0 s LYS 18 Cb -0.20 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 1ug0 s LYS 18 CO -0.03 -0.32 0.71 0.14 -0.76 0.00 0.00 175.35 175.09 1ug0 s VAL 19 N -2.83 4.90 0.16 3.17 -7.23 -1.26 -5.07 120.40 112.24 1ug0 s VAL 19 Ca 0.52 0.28 0.04 0.00 -1.81 0.00 0.00 61.98 61.01 1ug0 s VAL 19 Cb -0.11 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 1ug0 s VAL 19 CO 0.45 -0.58 0.21 -0.44 -0.31 0.00 0.00 175.10 174.42 1ug0 s SER 20 N -3.52 5.90 1.01 4.85 0.01 -1.26 -4.20 113.70 116.49 1ug0 s SER 20 Ca 0.48 0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.59 1ug0 s SER 20 Cb -0.10 -1.66 0.20 0.00 0.21 0.00 0.00 66.02 64.67 1ug0 s SER 20 CO 0.36 0.06 1.18 -2.16 0.41 0.00 0.00 173.24 173.09 1ug0 s PRO 21 N -3.17 0.33 0.00 12.44 0.04 -1.26 -4.67 135.00 138.70 1ug0 s PRO 21 Ca 0.33 -0.02 0.14 0.00 0.04 0.00 0.00 61.00 61.49 1ug0 s PRO 21 Cb -0.10 -1.77 0.86 0.00 0.04 0.00 0.00 34.50 33.52 1ug0 s PRO 21 CO 0.26 -2.69 1.38 -0.35 0.04 0.00 0.00 177.00 175.64 1ug0 n PRO 22 N -4.05 0.75 0.20 0.56 -0.04 -1.26 -2.99 135.00 128.17 1ug0 n PRO 22 Ca 0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1ug0 n PRO 22 Cb 0.59 -1.30 0.41 0.00 -0.04 0.00 0.00 33.50 33.17 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 -2.59 114.58 115.65 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 0.33 0.17 0.78 -1.00 0.00 0.00 179.01 179.29 1ug0 h GLY 24 N 1.59 0.00 -0.20 -3.84 0.00 -1.86 -1.57 103.07 97.19 1ug0 h GLY 24 Ca -0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 1ug0 h GLY 24 CO 0.04 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.21 1ug0 h ALA 25 N 1.61 1.97 0.07 3.60 0.00 -1.74 0.93 119.26 125.70 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 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ug0 h ALA 25 CO 0.00 -0.44 -0.04 0.93 0.00 0.00 0.00 179.25 179.71 1ug0 h GLU 26 N 0.49 -0.10 0.00 0.00 5.08 -1.54 -3.19 114.58 115.33 1ug0 h GLU 26 Ca 0.64 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1ug0 h GLU 26 Cb 1.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1ug0 h GLU 26 CO -0.43 0.43 0.18 1.15 -1.00 0.00 0.00 179.01 179.33 1ug0 h THR 27 N -0.92 0.00 -1.17 1.13 2.02 -1.31 -2.10 112.91 110.57 1ug0 h THR 27 Ca -0.01 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.51 1ug0 h THR 27 Cb 0.57 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1ug0 h THR 27 CO 0.02 0.00 1.12 -0.09 0.37 0.00 0.00 175.52 176.94 1ug0 h ARG 28 N 0.00 0.00 -0.01 6.66 1.12 0.84 1.31 114.38 124.30 1ug0 h ARG 28 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ug0 h ARG 28 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1ug0 h ARG 28 CO 0.00 0.00 -0.01 0.00 -3.11 0.00 0.00 179.97 176.85 1ug0 h ARG 29 N 0.00 0.02 0.00 0.20 3.08 -1.62 0.84 114.38 116.91 1ug0 h ARG 29 Ca 0.55 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.42 1ug0 h ARG 29 Cb 2.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.82 1ug0 h ARG 29 CO -0.01 0.50 -0.82 -0.24 -1.07 0.00 0.00 179.97 178.33 1ug0 h VAL 30 N -0.45 1.56 0.15 2.04 3.04 0.10 -1.63 116.25 121.06 1ug0 h VAL 30 Ca 0.00 -2.72 -0.01 0.00 -1.01 0.00 0.00 66.70 62.97 1ug0 h VAL 30 Cb 0.49 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1ug0 h VAL 30 CO 0.00 0.78 -0.07 0.40 -1.01 0.00 0.00 177.57 177.67 1ug0 h ILE 31 N 0.02 0.97 0.00 3.17 2.04 0.68 -2.66 117.51 121.74 1ug0 h ILE 31 Ca -0.02 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1ug0 h ILE 31 Cb 1.44 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1ug0 h ILE 31 CO 0.11 0.12 -0.18 -0.33 0.00 0.00 0.00 178.15 177.87 1ug0 h GLU 32 N -0.45 0.00 -0.57 2.37 4.39 -0.86 -2.26 114.58 117.20 1ug0 h GLU 32 Ca -0.02 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1ug0 h GLU 32 Cb 0.35 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1ug0 h GLU 32 CO 0.03 0.18 0.38 -0.22 -1.16 0.00 0.00 179.01 178.22 1ug0 h LYS 33 N 0.00 0.66 0.14 2.33 1.63 -0.94 0.44 116.57 120.83 1ug0 h LYS 33 Ca -0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ug0 h LYS 33 Cb 0.52 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1ug0 h LYS 33 CO 0.02 0.44 -0.07 1.25 -3.45 0.00 0.00 179.45 177.64 1ug0 h LEU 34 N 0.68 -0.16 -0.64 5.20 6.46 -1.23 -2.95 115.31 122.66 1ug0 h LEU 34 Ca 0.23 -0.12 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1ug0 h LEU 34 Cb 0.06 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 39.91 1ug0 h LEU 34 CO -0.06 0.36 -0.16 0.00 -0.62 0.00 0.00 178.44 177.96 1ug0 h ALA 35 N -0.87 0.42 -0.17 1.25 0.00 -1.31 2.09 119.26 120.66 1ug0 h ALA 35 Ca -0.02 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1ug0 h ALA 35 Cb 0.27 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ug0 h ALA 35 CO 0.03 -0.43 0.19 -0.09 0.00 0.00 0.00 179.25 178.96 1ug0 h ARG 36 N -0.00 0.00 0.00 0.00 9.65 -0.23 0.43 114.38 124.23 1ug0 h ARG 36 Ca 0.31 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.87 1ug0 h ARG 36 Cb 0.47 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.00 1ug0 h ARG 36 CO -0.66 0.00 -1.95 0.34 2.80 0.00 0.00 179.97 180.49 1ug0 n PHE 37 N -3.76 0.64 0.00 2.20 7.35 0.52 -3.74 117.46 120.66 1ug0 n PHE 37 Ca 0.01 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 1ug0 n PHE 37 Cb 0.31 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.02 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 -2.94 0.00 -0.71 -2.13 0.31 0.58 -2.81 118.33 110.64 1ug0 n VAL 38 Ca -0.23 0.21 0.53 0.00 -0.01 0.00 0.00 64.34 64.84 1ug0 n VAL 38 Cb 1.09 -0.65 0.82 0.00 -0.91 0.00 0.00 33.84 34.20 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 3.85 0.46 3.52 0.00 -0.46 1.16 119.26 125.80 1ug0 h ALA 39 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ug0 h ALA 39 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ug0 h ALA 39 CO 0.00 -2.42 -0.22 1.49 0.00 0.00 0.00 179.25 178.10 1ug0 h GLU 40 N 0.00 -0.60 0.07 0.00 4.81 -1.64 -3.38 114.58 113.84 1ug0 h GLU 40 Ca 0.94 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 60.21 1ug0 h GLU 40 Cb 3.76 0.14 0.00 0.00 0.63 0.00 0.00 28.75 33.28 1ug0 h GLU 40 CO -0.03 -0.40 -0.03 0.78 -0.73 0.00 0.00 179.01 178.60 1ug0 h GLY 41 N -0.73 -0.10 0.00 1.92 0.00 -0.06 -3.51 103.07 100.59 1ug0 h GLY 41 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ug0 h GLY 41 CO 0.10 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1ug0 n GLY 42 N 1.49 0.31 0.17 4.60 0.00 0.36 -4.88 105.19 107.23 1ug0 n GLY 42 Ca -0.02 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.48 -1.12 1.61 0.13 -1.97 -3.14 132.00 127.99 1ug0 h PRO 43 Ca 0.00 -0.46 0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1ug0 h PRO 43 Cb 0.00 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.19 1ug0 h PRO 43 CO 0.00 1.11 0.79 1.49 -0.23 0.00 0.00 178.00 181.16 1ug0 h GLU 44 N 0.29 0.08 0.28 0.86 4.81 -1.95 -0.93 114.58 118.02 1ug0 h GLU 44 Ca -0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1ug0 h GLU 44 Cb 1.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1ug0 h GLU 44 CO 0.16 0.05 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.29 1ug0 h LEU 45 N 0.09 -0.32 -1.95 1.64 -0.00 -1.88 -1.04 115.31 111.85 1ug0 h LEU 45 Ca 0.56 0.01 0.56 0.00 -0.00 0.00 0.00 57.88 59.01 1ug0 h LEU 45 Cb 2.04 0.08 -0.08 0.00 -0.00 0.00 0.00 40.66 42.70 1ug0 h LEU 45 CO -0.07 -0.00 1.41 1.21 -0.00 0.00 0.00 178.44 180.98 1ug0 n GLU 46 N -4.25 0.00 -0.06 1.13 0.00 -0.44 0.19 120.64 117.20 1ug0 n GLU 46 Ca -0.05 1.07 -0.03 0.00 0.00 0.00 0.00 57.16 58.15 1ug0 n GLU 46 Cb 0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 31.44 29.09 1ug0 n GLU 46 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1ug0 h LYS 47 N 0.00 0.00 -0.93 5.31 1.57 -1.28 -3.11 116.57 118.13 1ug0 h LYS 47 Ca 0.93 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.83 1ug0 h LYS 47 Cb 3.73 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 35.97 1ug0 h LYS 47 CO -0.01 0.20 0.59 0.28 -0.57 0.00 0.00 179.45 179.95 1ug0 h VAL 48 N -1.00 0.90 -0.01 0.50 2.07 0.16 -1.21 116.25 117.66 1ug0 h VAL 48 Ca -0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1ug0 h VAL 48 Cb 0.23 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 1ug0 h VAL 48 CO -0.00 0.15 -0.28 0.00 0.02 0.00 0.00 177.57 177.47 1ug0 h ALA 49 N 1.57 -0.38 0.00 1.67 0.00 0.19 1.57 119.26 123.88 1ug0 h ALA 49 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ug0 h ALA 49 Cb 0.56 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ug0 h ALA 49 CO -0.22 -0.78 0.21 0.52 0.00 0.00 0.00 179.25 178.98 1ug0 h MET 50 N -0.42 0.00 0.02 0.00 2.07 -1.15 0.11 114.93 115.55 1ug0 h MET 50 Ca 0.06 0.00 -0.38 0.00 -2.07 0.00 0.00 59.70 57.32 1ug0 h MET 50 Cb 0.51 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.17 1ug0 h MET 50 CO -0.25 0.00 -2.35 -1.91 1.07 0.00 0.00 176.91 173.47 1ug0 n GLU 51 N -2.56 0.67 0.26 1.72 4.07 0.11 -2.55 120.64 122.36 1ug0 n GLU 51 Ca -0.02 0.13 0.12 0.00 -0.06 0.00 0.00 57.16 57.33 1ug0 n GLU 51 Cb 0.25 -1.56 0.70 0.00 -0.06 0.00 0.00 31.44 30.76 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 0.01 0.00 0.00 4.31 1.82 0.44 -2.55 116.42 120.45 1ug0 h ASP 52 Ca -0.54 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.06 1ug0 h ASP 52 Cb 2.01 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.92 1ug0 h ASP 52 CO -0.03 0.13 -0.63 -1.22 -1.61 0.00 0.00 179.24 175.88 1ug0 n TYR 53 N -3.72 0.00 -0.24 0.28 4.01 0.01 -4.79 117.16 112.72 1ug0 n TYR 53 Ca -0.02 -1.20 0.32 0.00 -0.16 0.00 0.00 57.90 56.84 1ug0 n TYR 53 Cb 0.24 -0.22 0.72 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.96 0.00 -2.47 -0.72 3.64 -1.17 -2.33 116.57 114.48 1ug0 h LYS 54 Ca -0.06 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.72 1ug0 h LYS 54 Cb 1.25 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.67 1ug0 h LYS 54 CO 0.03 0.00 -0.82 -0.25 -2.27 0.00 0.00 179.45 176.14 1ug0 n ASP 55 N -3.97 1.42 -3.78 4.20 8.00 -1.26 -5.04 116.55 116.12 1ug0 n ASP 55 Ca 0.22 -2.87 -0.23 0.00 0.71 0.00 0.00 54.79 52.62 1ug0 n ASP 55 Cb 1.18 -0.65 -0.18 0.00 -0.02 0.00 0.00 41.12 41.45 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ug0 s ASN 56 N -1.08 1.58 0.00 -2.24 3.84 -0.88 -4.99 114.94 111.16 1ug0 s ASN 56 Ca 0.32 -0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.53 1ug0 s ASN 56 Cb 0.06 -0.45 1.01 0.00 -0.55 0.00 0.00 41.25 41.33 1ug0 s ASN 56 CO -0.14 -0.19 1.72 -0.81 -2.79 0.00 0.00 177.10 174.89 1ug0 n PRO 57 N 5.12 0.12 -0.13 0.43 -0.04 -1.26 -2.76 135.00 136.47 1ug0 n PRO 57 Ca -0.08 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1ug0 n PRO 57 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.42 1.33 -0.25 0.55 0.00 -1.26 -4.36 120.51 115.09 1ug0 n ALA 58 Ca 0.07 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 1ug0 n ALA 58 Cb 0.23 -0.04 0.06 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 -3.64 1.29 0.54 0.00 3.01 -1.19 -4.23 117.46 113.25 1ug0 n PHE 59 Ca -0.49 -1.34 0.11 0.00 1.01 0.00 0.00 57.45 56.74 1ug0 n PHE 59 Cb 0.95 -0.67 0.44 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 0.07 0.74 0.06 4.37 -2.24 -1.11 -2.63 114.28 113.54 1ug0 n THR 60 Ca 0.25 0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 62.12 1ug0 n THR 60 Cb 0.83 -0.94 0.16 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.42 -0.09 4.78 -0.00 -1.90 -3.29 116.94 116.86 1ug0 h PHE 61 Ca 0.00 -0.12 0.01 0.00 -0.00 0.00 0.00 57.97 57.86 1ug0 h PHE 61 Cb 0.40 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.25 1ug0 h PHE 61 CO 0.00 0.74 -0.09 -0.07 -0.00 0.00 0.00 178.31 178.89 1ug0 h LEU 62 N 0.29 -0.30 -6.37 2.10 3.38 -1.86 -2.36 115.31 110.19 1ug0 h LEU 62 Ca 0.02 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.44 1ug0 h LEU 62 Cb 0.90 0.13 0.05 0.00 0.09 0.00 0.00 40.66 41.83 1ug0 h LEU 62 CO 0.07 -0.05 2.21 1.41 0.09 0.00 0.00 178.44 182.18 1ug0 n HIS 63 N -3.19 1.55 0.00 1.13 -0.00 -1.24 -4.49 115.22 108.98 1ug0 n HIS 63 Ca -0.00 -1.66 0.00 0.00 -0.00 0.00 0.00 57.72 56.06 1ug0 n HIS 63 Cb 0.05 -1.57 0.00 0.00 -0.00 0.00 0.00 29.99 28.47 1ug0 n HIS 63 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1ug0 n ASP 64 N 7.09 0.00 0.00 0.41 -0.08 -0.89 -5.07 116.55 118.01 1ug0 n ASP 64 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1ug0 n ASP 64 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1ug0 n ASP 64 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ug0 n LYS 65 N 0.00 0.00 -1.92 -0.67 4.01 -1.26 -4.37 118.16 113.95 1ug0 n LYS 65 Ca 0.00 0.27 -0.41 0.00 -0.51 0.00 0.00 58.31 57.65 1ug0 n LYS 65 Cb 0.00 -0.79 -0.01 0.00 -0.51 0.00 0.00 35.03 33.72 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 -1.30 3.91 0.00 4.39 0.23 -1.26 -4.25 115.26 116.99 1ug0 n ASN 66 Ca 0.00 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.22 1ug0 n ASN 66 Cb 0.00 -1.61 0.00 0.00 -2.08 0.00 0.00 39.78 36.09 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 7.63 0.00 0.00 0.53 2.88 -1.26 -5.08 113.62 118.32 1ug0 n SER 67 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1ug0 n SER 67 Cb 0.42 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.59 0.00 -0.05 -1.46 1.85 -1.26 -4.93 116.66 109.21 1ug0 n ARG 68 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 1ug0 n ARG 68 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ug0 n GLU 69 N 0.00 0.71 0.21 2.89 1.02 -1.26 -3.56 120.64 120.66 1ug0 n GLU 69 Ca 0.00 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.50 1ug0 n GLU 69 Cb 0.00 -1.64 0.70 0.00 -0.02 0.00 0.00 31.44 30.49 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ug0 h PHE 70 N 0.04 0.00 0.00 -0.32 3.04 -1.79 -1.18 116.94 116.73 1ug0 h PHE 70 Ca -0.48 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.47 1ug0 h PHE 70 Cb 1.99 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.50 1ug0 h PHE 70 CO 0.06 0.00 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.16 1ug0 h LEU 71 N 0.00 0.00 -1.85 0.59 3.38 -1.74 -3.19 115.31 112.50 1ug0 h LEU 71 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ug0 h LEU 71 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ug0 h LEU 71 CO 0.00 0.28 0.46 0.22 0.09 0.00 0.00 178.44 179.49 1ug0 h TYR 72 N -0.44 0.00 0.00 1.13 3.20 -1.60 0.73 116.97 120.00 1ug0 h TYR 72 Ca 0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 1ug0 h TYR 72 Cb 0.12 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1ug0 h TYR 72 CO -0.05 0.00 -0.87 -0.92 -1.64 0.00 0.00 178.16 174.68 1ug0 h TYR 73 N 0.00 0.24 0.00 -3.82 3.20 -1.35 -2.87 116.97 112.38 1ug0 h TYR 73 Ca 0.12 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ug0 h TYR 73 Cb 1.04 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1ug0 h TYR 73 CO 0.00 0.95 -0.72 0.00 -1.64 0.00 0.00 178.16 176.74 1ug0 h ARG 74 N 0.09 0.00 -0.03 1.82 2.47 0.38 -2.10 114.38 117.01 1ug0 h ARG 74 Ca -0.04 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.51 1ug0 h ARG 74 Cb 1.49 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.80 1ug0 h ARG 74 CO 0.13 0.03 -0.75 0.00 0.56 0.00 0.00 179.97 179.94 1ug0 h ARG 75 N 0.00 0.22 0.00 0.04 2.47 -0.88 -3.15 114.38 113.08 1ug0 h ARG 75 Ca -0.01 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.45 1ug0 h ARG 75 Cb 1.04 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1ug0 h ARG 75 CO 0.00 0.87 -1.47 1.63 0.56 0.00 0.00 179.97 181.56 1ug0 n LYS 76 N -3.76 0.63 -0.31 0.04 4.76 -1.09 -4.03 118.16 114.41 1ug0 n LYS 76 Ca -0.03 0.06 0.28 0.00 -2.87 0.00 0.00 58.31 55.75 1ug0 n LYS 76 Cb 0.72 -1.72 0.62 0.00 -1.84 0.00 0.00 35.03 32.81 1ug0 n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ug0 h VAL 77 N 0.00 0.48 0.00 -0.18 2.07 -1.33 1.77 116.25 119.06 1ug0 h VAL 77 Ca -0.08 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 1ug0 h VAL 77 Cb 1.24 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ug0 h VAL 77 CO 0.01 0.04 -0.84 0.00 0.02 0.00 0.00 177.57 176.81 1ug0 h ALA 78 N 1.54 0.60 -0.03 1.67 0.00 -1.70 0.23 119.26 121.57 1ug0 h ALA 78 Ca 0.57 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ug0 h ALA 78 Cb 1.81 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1ug0 h ALA 78 CO -0.17 0.96 -0.04 1.49 0.00 0.00 0.00 179.25 181.50 1ug0 h GLU 79 N 0.05 0.09 -0.12 0.00 4.22 0.24 -2.92 114.58 116.14 1ug0 h GLU 79 Ca -0.02 -0.05 -0.17 0.00 0.08 0.00 0.00 59.36 59.20 1ug0 h GLU 79 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1ug0 h GLU 79 CO 0.12 0.57 -0.64 0.97 -2.18 0.00 0.00 179.01 177.85 1ug0 h ILE 80 N -0.39 1.35 -0.35 2.32 -0.00 -0.50 -3.23 117.51 116.71 1ug0 h ILE 80 Ca 0.00 -1.97 0.07 0.00 -0.00 0.00 0.00 64.86 62.96 1ug0 h ILE 80 Cb 0.56 1.95 -0.09 0.00 -0.00 0.00 0.00 36.82 39.25 1ug0 h ILE 80 CO 0.01 0.60 -0.38 0.03 -0.00 0.00 0.00 178.15 178.41 1ug0 h ARG 81 N 0.34 -0.31 -0.32 2.19 2.47 -0.54 -2.15 114.38 116.05 1ug0 h ARG 81 Ca -0.01 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1ug0 h ARG 81 Cb 1.20 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.55 1ug0 h ARG 81 CO 0.11 -0.21 -0.20 -0.22 0.56 0.00 0.00 179.97 180.02 1ug0 h LYS 82 N -0.32 -0.01 -4.05 0.04 1.63 -1.53 -3.35 116.57 108.97 1ug0 h LYS 82 Ca 0.14 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.36 1ug0 h LYS 82 Cb 0.57 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.81 1ug0 h LYS 82 CO -0.52 -0.01 -0.77 0.45 -3.45 0.00 0.00 179.45 175.15 1ug0 s SER 83 N -3.82 3.62 -0.41 4.20 0.15 -0.86 -5.03 113.70 111.55 1ug0 s SER 83 Ca -0.04 -1.15 0.07 0.00 0.70 0.00 0.00 55.95 55.52 1ug0 s SER 83 Cb 0.04 -0.99 0.22 0.00 -1.71 0.00 0.00 66.02 63.58 1ug0 s SER 83 CO 0.21 -0.28 0.49 0.61 1.20 0.00 0.00 173.24 175.48 1ug0 n GLY 84 N 4.78 2.34 0.21 9.45 0.00 -0.88 -4.68 105.19 116.42 1ug0 n GLY 84 Ca -0.10 -1.31 0.10 0.00 0.00 0.00 0.00 46.02 44.71 1ug0 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 h PRO 85 N 4.54 0.00 -1.56 1.61 0.13 -1.95 -3.44 132.00 131.32 1ug0 h PRO 85 Ca 0.12 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.41 1ug0 h PRO 85 Cb 0.91 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.96 1ug0 h PRO 85 CO 0.41 0.21 -0.50 0.43 -0.23 0.00 0.00 178.00 178.31 1ug0 n SER 86 N -3.25 -3.73 -4.77 1.44 7.64 -1.26 -4.85 113.62 104.84 1ug0 n SER 86 Ca 0.01 0.57 -0.39 0.00 1.01 0.00 0.00 58.87 60.08 1ug0 n SER 86 Cb 0.50 -2.19 -0.04 0.00 -1.01 0.00 0.00 64.21 61.47 1ug0 n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug0 s SER 87 N -5.73 7.13 0.00 6.43 0.15 -1.26 -5.26 113.70 115.15 1ug0 s SER 87 Ca 0.00 2.16 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1ug0 s SER 87 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1ug0 s SER 87 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82