#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 5.13 -0.57 1.61 0.01 -1.26 -4.99 113.70 113.63 1ug0 s SER 2 Ca 0.00 2.17 -0.11 0.00 1.31 0.00 0.00 55.95 59.32 1ug0 s SER 2 Cb 0.00 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.80 1ug0 s SER 2 CO 0.00 -1.62 0.47 -0.44 0.41 0.00 0.00 173.24 172.06 1ug0 s SER 3 N -2.10 5.99 0.00 2.44 0.01 -1.26 -4.97 113.70 113.81 1ug0 s SER 3 Ca 0.72 -2.10 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1ug0 s SER 3 Cb -0.25 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1ug0 s SER 3 CO 0.37 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1ug0 n GLY 4 N 4.71 -0.57 2.85 3.44 0.00 -1.26 -4.93 105.19 109.43 1ug0 n GLY 4 Ca -0.04 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1ug0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug0 s SER 5 N -2.48 3.71 -0.10 1.61 0.15 -1.26 -5.11 113.70 110.21 1ug0 s SER 5 Ca 0.00 -1.25 -0.01 0.00 0.70 0.00 0.00 55.95 55.39 1ug0 s SER 5 Cb 0.00 -0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 1ug0 s SER 5 CO 0.00 -0.30 -0.06 -0.55 1.20 0.00 0.00 173.24 173.53 1ug0 s SER 6 N 1.53 4.68 0.00 5.45 0.15 -1.26 -4.98 113.70 119.26 1ug0 s SER 6 Ca -0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1ug0 s SER 6 Cb -0.18 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1ug0 s SER 6 CO -0.11 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1ug0 n GLY 7 N 2.71 0.22 2.67 9.45 0.00 -1.26 -4.58 105.19 114.40 1ug0 n GLY 7 Ca -0.18 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 3.41 -0.63 1.61 1.02 -1.26 -4.87 120.64 119.91 1ug0 n GLU 8 Ca 0.00 -4.65 0.49 0.00 -0.02 0.00 0.00 57.16 52.98 1ug0 n GLU 8 Cb 0.00 -2.35 0.78 0.00 -0.02 0.00 0.00 31.44 29.84 1ug0 n GLU 8 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ug0 n GLU 9 N 0.86 -0.01 -0.28 3.49 2.13 -1.26 0.18 120.64 125.75 1ug0 n GLU 9 Ca 0.30 1.14 0.34 0.00 0.66 0.00 0.00 57.16 59.60 1ug0 n GLU 9 Cb 0.37 -2.50 0.67 0.00 0.27 0.00 0.00 31.44 30.26 1ug0 n GLU 9 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1ug0 h ASP 10 N 0.00 0.00 -0.43 4.31 3.32 -1.99 0.63 116.42 122.27 1ug0 h ASP 10 Ca 0.92 0.00 0.12 0.00 0.02 0.00 0.00 57.03 58.10 1ug0 h ASP 10 Cb 3.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 43.01 1ug0 h ASP 10 CO -0.17 0.00 0.71 0.10 -1.72 0.00 0.00 179.24 178.17 1ug0 h TYR 11 N 0.00 0.00 0.00 4.55 -0.00 0.16 1.54 116.97 123.22 1ug0 h TYR 11 Ca 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.09 1ug0 h TYR 11 Cb 2.52 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 39.21 1ug0 h TYR 11 CO 0.00 0.00 -1.96 -0.85 -0.00 0.00 0.00 178.16 175.35 1ug0 n GLU 12 N -3.22 0.66 0.13 0.10 0.28 0.22 -4.05 120.64 114.76 1ug0 n GLU 12 Ca 0.08 -0.01 0.09 0.00 -0.16 0.00 0.00 57.16 57.17 1ug0 n GLU 12 Cb 0.87 -1.60 0.47 0.00 1.43 0.00 0.00 31.44 32.61 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 -2.62 0.12 0.07 3.44 -0.00 0.52 -0.47 117.38 118.45 1ug0 n GLN 13 Ca -0.16 0.58 -0.18 0.00 -0.00 0.00 0.00 57.00 57.23 1ug0 n GLN 13 Cb 0.86 -1.86 -0.14 0.00 -0.00 0.00 0.00 30.24 29.09 1ug0 n GLN 13 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1ug0 h TRP 14 N 0.00 0.55 -0.92 2.61 4.06 -1.63 -3.28 115.95 117.33 1ug0 h TRP 14 Ca 0.00 -0.40 0.18 0.00 2.06 0.00 0.00 58.89 60.73 1ug0 h TRP 14 Cb 0.05 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.11 1ug0 h TRP 14 CO 0.00 1.44 0.59 -0.07 -3.56 0.00 0.00 178.44 176.85 1ug0 h LEU 15 N 0.08 0.59 -2.74 -4.49 4.07 -0.97 0.96 115.31 112.81 1ug0 h LEU 15 Ca -0.25 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1ug0 h LEU 15 Cb 2.04 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.72 1ug0 h LEU 15 CO 0.18 0.26 0.04 -0.08 -1.08 0.00 0.00 178.44 177.75 1ug0 h GLU 16 N 0.60 0.00 -3.91 1.13 4.81 -1.60 -3.29 114.58 112.32 1ug0 h GLU 16 Ca 0.49 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 59.02 1ug0 h GLU 16 Cb 0.93 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.96 1ug0 h GLU 16 CO -0.23 0.00 -0.45 0.42 -0.73 0.00 0.00 179.01 178.02 1ug0 s ILE 17 N -4.09 3.49 0.55 2.32 1.01 0.33 -5.08 121.20 119.73 1ug0 s ILE 17 Ca -0.05 -2.66 -0.15 0.00 0.00 0.00 0.00 60.65 57.80 1ug0 s ILE 17 Cb 0.12 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1ug0 s ILE 17 CO 0.38 -0.80 1.00 -0.54 0.00 0.00 0.00 174.94 174.97 1ug0 s LYS 18 N 0.36 3.78 0.40 2.79 3.01 -1.24 -4.94 119.74 123.90 1ug0 s LYS 18 Ca 0.14 0.92 -0.06 0.00 -1.01 0.00 0.00 55.97 55.96 1ug0 s LYS 18 Cb -0.21 -2.11 -0.05 0.00 -1.01 0.00 0.00 37.83 34.45 1ug0 s LYS 18 CO -0.04 -0.41 0.71 0.14 0.51 0.00 0.00 175.35 176.27 1ug0 s VAL 19 N -2.76 4.91 0.12 3.17 -7.23 -1.26 -5.06 120.40 112.28 1ug0 s VAL 19 Ca 0.58 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 1ug0 s VAL 19 Cb -0.11 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1ug0 s VAL 19 CO 0.38 -0.61 0.22 -0.94 -0.31 0.00 0.00 175.10 173.84 1ug0 s SER 20 N -3.59 6.16 1.00 4.85 1.04 -1.26 -4.13 113.70 117.78 1ug0 s SER 20 Ca 0.47 0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.90 1ug0 s SER 20 Cb -0.10 -1.82 0.19 0.00 0.10 0.00 0.00 66.02 64.39 1ug0 s SER 20 CO 0.36 0.10 1.18 -2.16 0.98 0.00 0.00 173.24 173.71 1ug0 s PRO 21 N -2.90 0.38 0.00 4.02 0.04 -1.26 -4.71 135.00 130.57 1ug0 s PRO 21 Ca 0.34 -0.01 0.13 0.00 0.04 0.00 0.00 61.00 61.50 1ug0 s PRO 21 Cb -0.12 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 33.42 1ug0 s PRO 21 CO 0.27 -2.66 1.32 -0.35 0.04 0.00 0.00 177.00 175.62 1ug0 n PRO 22 N -4.03 0.75 0.18 0.56 -0.04 -1.26 -2.80 135.00 128.36 1ug0 n PRO 22 Ca 0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1ug0 n PRO 22 Cb 0.59 -1.27 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 0.00 0.00 0.54 4.81 -1.95 -2.89 114.58 115.09 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 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 1ug0 n GLY 24 N 0.64 -0.96 0.00 1.92 0.00 -1.12 -3.58 105.19 102.09 1ug0 n GLY 24 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 n ALA 25 N -1.67 -0.07 -0.30 4.61 0.00 -1.09 -0.89 120.51 121.11 1ug0 n ALA 25 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1ug0 n ALA 25 Cb 0.12 0.28 0.29 0.00 0.00 0.00 0.00 19.45 20.14 1ug0 n ALA 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ug0 h GLU 26 N 0.00 0.29 -0.38 0.00 4.81 -1.83 1.29 114.58 118.76 1ug0 h GLU 26 Ca 0.00 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1ug0 h GLU 26 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1ug0 h GLU 26 CO 0.00 0.19 0.51 1.15 -0.73 0.00 0.00 179.01 180.13 1ug0 h THR 27 N 0.30 0.26 -0.88 0.32 2.02 -1.31 -0.15 112.91 113.46 1ug0 h THR 27 Ca 0.54 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.98 1ug0 h THR 27 Cb 1.05 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1ug0 h THR 27 CO -0.58 0.00 0.97 0.08 0.37 0.00 0.00 175.52 176.36 1ug0 h ARG 28 N 0.00 0.00 -0.44 6.66 -0.00 0.36 1.56 114.38 122.53 1ug0 h ARG 28 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.08 1ug0 h ARG 28 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.15 1ug0 h ARG 28 CO -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 179.97 179.90 1ug0 h ARG 29 N 0.00 0.81 0.05 0.08 3.08 -1.20 0.47 114.38 117.68 1ug0 h ARG 29 Ca 0.42 -0.29 -0.26 0.00 0.07 0.00 0.00 59.98 59.92 1ug0 h ARG 29 Cb 2.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 32.34 1ug0 h ARG 29 CO -0.00 0.91 -1.27 -0.24 -1.07 0.00 0.00 179.97 178.29 1ug0 h VAL 30 N 0.65 1.42 0.53 2.04 3.04 0.18 -3.25 116.25 120.85 1ug0 h VAL 30 Ca 0.12 -3.11 -0.03 0.00 -1.01 0.00 0.00 66.70 62.67 1ug0 h VAL 30 Cb 0.58 2.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.65 1ug0 h VAL 30 CO 0.03 0.85 -0.26 0.40 -1.01 0.00 0.00 177.57 177.59 1ug0 h ILE 31 N 0.03 0.24 -1.22 3.17 2.04 -0.38 -2.98 117.51 118.41 1ug0 h ILE 31 Ca -0.13 -0.45 0.39 0.00 1.00 0.00 0.00 64.86 65.67 1ug0 h ILE 31 Cb 1.90 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 38.20 1ug0 h ILE 31 CO 0.14 0.04 0.78 -0.33 0.00 0.00 0.00 178.15 178.78 1ug0 h GLU 32 N -1.08 0.16 -0.29 2.37 5.08 -0.19 0.54 114.58 121.17 1ug0 h GLU 32 Ca -0.07 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1ug0 h GLU 32 Cb 0.61 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1ug0 h GLU 32 CO 0.12 0.11 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.76 1ug0 h LYS 33 N 0.16 -0.22 -0.35 2.33 1.63 -1.56 0.78 116.57 119.35 1ug0 h LYS 33 Ca 0.76 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.57 1ug0 h LYS 33 Cb 2.27 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 33.93 1ug0 h LYS 33 CO -0.42 -0.15 0.18 1.25 -3.45 0.00 0.00 179.45 176.87 1ug0 h LEU 34 N -0.23 0.44 -0.30 5.20 6.46 0.02 -1.12 115.31 125.77 1ug0 h LEU 34 Ca 0.15 -0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1ug0 h LEU 34 Cb 0.47 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1ug0 h LEU 34 CO -0.43 0.42 -0.15 0.00 -0.62 0.00 0.00 178.44 177.67 1ug0 h ALA 35 N 1.04 0.09 0.00 1.25 0.00 -0.39 1.33 119.26 122.59 1ug0 h ALA 35 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ug0 h ALA 35 Cb 0.09 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ug0 h ALA 35 CO -0.02 -0.54 0.00 -0.09 0.00 0.00 0.00 179.25 178.60 1ug0 h ARG 36 N -0.10 0.00 0.00 0.00 1.12 0.85 0.58 114.38 116.83 1ug0 h ARG 36 Ca 0.16 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.89 1ug0 h ARG 36 Cb 0.34 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 1ug0 h ARG 36 CO -0.37 0.00 -1.73 0.34 -3.11 0.00 0.00 179.97 175.10 1ug0 n PHE 37 N -2.43 0.49 0.00 2.20 7.35 0.22 -3.81 117.46 121.48 1ug0 n PHE 37 Ca -0.00 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 1ug0 n PHE 37 Cb 0.14 -0.88 0.00 0.00 0.35 0.00 0.00 39.48 39.09 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 -2.64 0.00 -0.57 -2.13 0.31 0.39 -3.47 118.33 110.22 1ug0 n VAL 38 Ca -0.11 0.17 0.47 0.00 -0.01 0.00 0.00 64.34 64.85 1ug0 n VAL 38 Cb 0.78 -0.89 0.74 0.00 -0.91 0.00 0.00 33.84 33.56 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 3.62 0.59 3.52 0.00 -1.17 1.48 119.26 125.30 1ug0 h ALA 39 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ug0 h ALA 39 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ug0 h ALA 39 CO 0.00 -2.22 -0.28 1.49 0.00 0.00 0.00 179.25 178.23 1ug0 h GLU 40 N 0.00 -0.76 0.00 0.00 4.81 -1.66 -3.40 114.58 113.57 1ug0 h GLU 40 Ca 0.81 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 60.07 1ug0 h GLU 40 Cb 3.49 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 33.04 1ug0 h GLU 40 CO -0.01 -0.51 -0.37 0.78 -0.73 0.00 0.00 179.01 178.18 1ug0 h GLY 41 N -1.00 0.00 0.00 1.92 0.00 -0.04 -3.51 103.07 100.44 1ug0 h GLY 41 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ug0 h GLY 41 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1ug0 n GLY 42 N 1.66 0.17 0.15 4.60 0.00 0.45 -4.89 105.19 107.33 1ug0 n GLY 42 Ca -0.07 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 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 0.27 -1.06 1.61 0.13 -1.96 -3.16 132.00 127.82 1ug0 h PRO 43 Ca 0.00 -0.27 0.28 0.00 -0.87 0.00 0.00 66.00 65.14 1ug0 h PRO 43 Cb 0.00 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.11 1ug0 h PRO 43 CO 0.00 0.96 0.69 1.49 -0.23 0.00 0.00 178.00 180.90 1ug0 h GLU 44 N 0.16 0.34 0.42 0.86 4.81 -1.94 -0.76 114.58 118.46 1ug0 h GLU 44 Ca -0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ug0 h GLU 44 Cb 1.43 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1ug0 h GLU 44 CO 0.13 0.22 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.37 1ug0 h LEU 45 N 0.35 -0.47 -1.96 1.64 -0.00 -1.84 -0.51 115.31 112.52 1ug0 h LEU 45 Ca 0.60 -0.02 0.56 0.00 -0.00 0.00 0.00 57.88 59.02 1ug0 h LEU 45 Cb 1.61 0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 42.31 1ug0 h LEU 45 CO -0.28 -0.04 1.42 -0.08 -0.00 0.00 0.00 178.44 179.45 1ug0 h GLU 46 N -1.12 0.00 0.00 1.13 4.81 -1.22 1.66 114.58 119.83 1ug0 h GLU 46 Ca -0.06 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1ug0 h GLU 46 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ug0 h GLU 46 CO 0.09 0.00 -0.46 0.87 -0.73 0.00 0.00 179.01 178.78 1ug0 h LYS 47 N 0.00 0.00 -0.98 1.92 1.57 -1.20 -3.30 116.57 114.59 1ug0 h LYS 47 Ca 0.92 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.77 1ug0 h LYS 47 Cb 3.74 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 35.98 1ug0 h LYS 47 CO -0.01 0.82 0.62 0.28 -0.57 0.00 0.00 179.45 180.59 1ug0 h VAL 48 N -1.00 1.05 -0.57 0.50 2.07 0.26 -1.40 116.25 117.15 1ug0 h VAL 48 Ca -0.12 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1ug0 h VAL 48 Cb 0.96 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1ug0 h VAL 48 CO -0.07 0.20 -0.14 0.00 0.02 0.00 0.00 177.57 177.58 1ug0 h ALA 49 N 1.46 0.38 0.00 1.67 0.00 0.18 1.62 119.26 124.58 1ug0 h ALA 49 Ca 0.43 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1ug0 h ALA 49 Cb 0.22 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ug0 h ALA 49 CO -0.19 -0.43 0.07 0.52 0.00 0.00 0.00 179.25 179.22 1ug0 h MET 50 N 0.00 0.00 0.00 0.00 2.07 -1.33 0.10 114.93 115.77 1ug0 h MET 50 Ca 0.28 0.00 -0.40 0.00 -2.07 0.00 0.00 59.70 57.51 1ug0 h MET 50 Cb 0.42 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.09 1ug0 h MET 50 CO -0.59 0.00 -2.17 -1.91 1.07 0.00 0.00 176.91 173.31 1ug0 n GLU 51 N -2.58 0.58 -0.13 1.72 4.07 0.47 -2.26 120.64 122.52 1ug0 n GLU 51 Ca -0.02 0.35 0.18 0.00 -0.06 0.00 0.00 57.16 57.62 1ug0 n GLU 51 Cb 0.11 -1.57 0.58 0.00 -0.06 0.00 0.00 31.44 30.50 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 -0.98 0.24 -0.06 4.31 3.58 0.15 -0.06 116.42 123.61 1ug0 h ASP 52 Ca -0.60 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 56.82 1ug0 h ASP 52 Cb 1.53 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.50 1ug0 h ASP 52 CO -0.36 0.12 -0.55 -1.22 -2.88 0.00 0.00 179.24 174.35 1ug0 n TYR 53 N -4.43 0.21 -0.29 0.28 4.01 -0.03 -4.79 117.16 112.11 1ug0 n TYR 53 Ca 0.14 -1.50 0.12 0.00 -0.16 0.00 0.00 57.90 56.50 1ug0 n TYR 53 Cb 0.61 -0.25 0.28 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.09 0.28 -3.03 -0.72 1.63 -0.54 -2.39 116.57 112.89 1ug0 h LYS 54 Ca 0.01 -0.02 -0.71 0.00 -0.85 0.00 0.00 60.65 59.08 1ug0 h LYS 54 Cb 1.09 -0.06 -0.35 0.00 -0.60 0.00 0.00 32.23 32.31 1ug0 h LYS 54 CO 0.06 0.19 0.03 -0.40 -3.45 0.00 0.00 179.45 175.88 1ug0 n ASP 55 N -5.15 4.68 -3.82 4.20 5.75 -1.26 -4.99 116.55 115.95 1ug0 n ASP 55 Ca 0.21 -3.25 -0.25 0.00 -0.01 0.00 0.00 54.79 51.49 1ug0 n ASP 55 Cb 0.65 -1.05 -0.17 0.00 -1.03 0.00 0.00 41.12 39.52 1ug0 n ASP 55 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ug0 s ASN 56 N -0.85 1.92 0.22 -1.12 3.84 -0.90 -4.99 114.94 113.05 1ug0 s ASN 56 Ca 0.31 -0.23 0.25 0.00 0.21 0.00 0.00 52.86 53.40 1ug0 s ASN 56 Cb -0.01 -0.61 0.90 0.00 -0.55 0.00 0.00 41.25 40.99 1ug0 s ASN 56 CO -0.05 -0.17 1.74 -0.81 -2.79 0.00 0.00 177.10 175.02 1ug0 n PRO 57 N 5.06 0.21 -0.12 0.43 -0.04 -1.26 -2.79 135.00 136.49 1ug0 n PRO 57 Ca -0.09 0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1ug0 n PRO 57 Cb 0.50 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.76 1.24 -0.46 0.55 0.00 -1.26 -4.35 120.51 114.46 1ug0 n ALA 58 Ca 0.04 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 1ug0 n ALA 58 Cb 0.32 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.79 1.03 0.67 0.00 3.01 -1.22 -4.21 117.46 112.96 1ug0 n PHE 59 Ca -0.47 -1.45 0.12 0.00 1.01 0.00 0.00 57.45 56.66 1ug0 n PHE 59 Cb 0.93 -0.71 0.47 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.50 0.53 0.05 4.37 -2.24 -1.12 -2.97 114.28 113.41 1ug0 n THR 60 Ca 0.20 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.97 1ug0 n THR 60 Cb 0.65 -0.75 0.24 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.41 -0.08 4.78 -0.00 -1.83 -2.98 116.94 117.24 1ug0 h PHE 61 Ca 0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 57.97 57.89 1ug0 h PHE 61 Cb 0.49 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.33 1ug0 h PHE 61 CO 0.00 0.61 -0.11 -0.07 -0.00 0.00 0.00 178.31 178.74 1ug0 h LEU 62 N 0.33 -0.37 0.10 2.10 3.38 -1.90 -2.78 115.31 116.16 1ug0 h LEU 62 Ca 0.05 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ug0 h LEU 62 Cb 0.66 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1ug0 h LEU 62 CO 0.05 -0.08 -0.32 0.45 0.09 0.00 0.00 178.44 178.63 1ug0 h HIS 63 N -0.08 -0.92 -0.66 1.13 3.86 -1.78 -3.30 115.15 113.39 1ug0 h HIS 63 Ca 0.01 0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1ug0 h HIS 63 Cb 0.12 0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 1ug0 h HIS 63 CO -0.62 -0.37 0.56 -0.51 0.86 0.00 0.00 177.93 177.86 1ug0 s ASP 64 N -3.75 4.80 0.59 2.45 1.01 -1.05 -4.73 116.67 115.99 1ug0 s ASP 64 Ca -0.10 -0.44 0.30 0.00 0.71 0.00 0.00 52.55 53.02 1ug0 s ASP 64 Cb 0.03 -2.56 1.74 0.00 1.01 0.00 0.00 42.92 43.15 1ug0 s ASP 64 CO 0.37 -3.04 2.16 0.11 0.21 0.00 0.00 175.17 174.97 1ug0 h LYS 65 N 11.83 0.00 -2.29 8.23 1.57 -1.65 -2.15 116.57 132.11 1ug0 h LYS 65 Ca 0.06 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.14 1ug0 h LYS 65 Cb 1.01 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.97 1ug0 h LYS 65 CO 1.15 0.00 0.19 0.27 -0.57 0.00 0.00 179.45 180.49 1ug0 n ASN 66 N -3.77 5.87 0.00 0.86 0.23 -1.26 -4.42 115.26 112.77 1ug0 n ASN 66 Ca -0.00 -3.67 0.00 0.00 -0.53 0.00 0.00 54.58 50.38 1ug0 n ASN 66 Cb 0.24 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 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 -0.07 0.00 0.00 0.53 2.88 -0.81 -5.07 113.62 111.08 1ug0 n SER 67 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1ug0 n SER 67 Cb 0.33 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.69 0.00 -0.05 -1.46 0.00 -1.26 -4.91 116.66 107.30 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 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 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 0.69 0.23 2.89 1.02 -1.26 -3.79 120.64 120.42 1ug0 n GLU 69 Ca 0.00 0.31 0.17 0.00 -0.02 0.00 0.00 57.16 57.62 1ug0 n GLU 69 Cb 0.00 -1.68 0.86 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.23 0.00 0.30 -0.32 3.04 -1.85 0.16 116.94 118.04 1ug0 h PHE 70 Ca -0.45 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 1ug0 h PHE 70 Cb 1.83 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.35 1ug0 h PHE 70 CO 0.07 0.00 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.14 1ug0 h LEU 71 N 0.00 -0.34 -2.25 0.59 3.38 -1.77 -3.09 115.31 111.83 1ug0 h LEU 71 Ca 0.07 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1ug0 h LEU 71 Cb 0.40 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ug0 h LEU 71 CO -0.00 0.07 0.15 0.22 0.09 0.00 0.00 178.44 178.96 1ug0 h TYR 72 N -1.02 0.00 1.01 1.13 3.20 -1.54 -2.45 116.97 117.30 1ug0 h TYR 72 Ca -0.04 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1ug0 h TYR 72 Cb 0.31 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.59 1ug0 h TYR 72 CO 0.01 0.00 -0.48 -0.92 -1.64 0.00 0.00 178.16 175.12 1ug0 h TYR 73 N 0.00 -1.25 0.00 -3.82 3.20 -0.72 0.18 116.97 114.56 1ug0 h TYR 73 Ca 0.07 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ug0 h TYR 73 Cb 0.36 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1ug0 h TYR 73 CO 0.00 -0.78 0.00 0.54 -1.64 0.00 0.00 178.16 176.28 1ug0 n ARG 74 N -5.64 0.14 0.06 1.82 5.12 -0.99 0.02 116.66 117.20 1ug0 n ARG 74 Ca -0.17 0.55 0.01 0.00 -1.93 0.00 0.00 57.85 56.31 1ug0 n ARG 74 Cb 0.53 -1.89 -0.05 0.00 -1.16 0.00 0.00 32.46 29.89 1ug0 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ug0 h ARG 75 N 0.00 0.00 0.09 5.56 2.47 -0.91 -3.30 114.38 118.29 1ug0 h ARG 75 Ca 0.00 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.36 1ug0 h ARG 75 Cb 0.12 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1ug0 h ARG 75 CO 0.00 0.36 -1.99 1.63 0.56 0.00 0.00 179.97 180.54 1ug0 n LYS 76 N -2.99 0.72 -0.21 0.04 4.76 0.58 -4.24 118.16 116.81 1ug0 n LYS 76 Ca -0.06 0.29 -0.01 0.00 -2.87 0.00 0.00 58.31 55.65 1ug0 n LYS 76 Cb 0.81 -1.68 0.06 0.00 -1.84 0.00 0.00 35.03 32.37 1ug0 n LYS 76 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1ug0 h VAL 77 N -0.09 0.32 -0.88 -0.18 -1.51 -0.56 1.55 116.25 114.90 1ug0 h VAL 77 Ca -0.44 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.28 1ug0 h VAL 77 Cb 1.92 0.32 -0.04 0.00 -2.13 0.00 0.00 31.29 31.37 1ug0 h VAL 77 CO 0.02 0.00 0.76 0.00 -1.23 0.00 0.00 177.57 177.11 1ug0 h ALA 78 N 1.52 2.74 0.40 5.19 0.00 -1.73 1.76 119.26 129.15 1ug0 h ALA 78 Ca 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ug0 h ALA 78 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ug0 h ALA 78 CO -0.66 -1.21 -0.19 1.49 0.00 0.00 0.00 179.25 178.67 1ug0 h GLU 79 N 0.00 -0.52 -0.24 0.00 4.22 0.21 -3.18 114.58 115.07 1ug0 h GLU 79 Ca 0.42 0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.80 1ug0 h GLU 79 Cb 1.93 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 1ug0 h GLU 79 CO -0.00 -0.25 -0.25 0.97 -2.18 0.00 0.00 179.01 177.30 1ug0 h ILE 80 N -1.05 1.26 -0.85 2.32 -0.00 -0.48 -2.98 117.51 115.73 1ug0 h ILE 80 Ca -0.06 -1.25 0.18 0.00 -0.00 0.00 0.00 64.86 63.73 1ug0 h ILE 80 Cb 0.51 1.36 -0.16 0.00 -0.00 0.00 0.00 36.82 38.53 1ug0 h ILE 80 CO 0.09 0.40 -0.15 0.03 -0.00 0.00 0.00 178.15 178.51 1ug0 h ARG 81 N 0.40 0.02 -6.07 2.19 2.47 0.25 -3.41 114.38 110.23 1ug0 h ARG 81 Ca 0.06 -0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.16 1ug0 h ARG 81 Cb 0.66 -0.00 0.15 0.00 -1.65 0.00 0.00 29.97 29.13 1ug0 h ARG 81 CO 0.05 0.01 -0.83 0.36 0.56 0.00 0.00 179.97 180.12 1ug0 n LYS 82 N -5.51 0.11 0.02 0.04 -0.00 -1.13 -4.72 118.16 106.96 1ug0 n LYS 82 Ca 0.14 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1ug0 n LYS 82 Cb 0.47 -1.10 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 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 2.11 -0.33 0.00 -5.58 2.88 -1.26 -5.06 113.62 106.37 1ug0 n SER 83 Ca 0.12 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1ug0 n SER 83 Cb 0.39 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 -1.05 -1.30 2.57 0.46 0.00 -1.26 -5.01 105.19 99.60 1ug0 n GLY 84 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.02 2.65 -2.73 1.61 -0.04 -1.26 -4.61 135.00 130.60 1ug0 n PRO 85 Ca 0.00 -1.86 -0.03 0.00 -0.04 0.00 0.00 63.50 61.57 1ug0 n PRO 85 Cb 0.00 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 30.74 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ug0 n SER 86 N 4.50 -3.60 -0.07 3.54 7.64 -1.26 -5.01 113.62 119.36 1ug0 n SER 86 Ca 0.58 1.27 -0.07 0.00 1.01 0.00 0.00 58.87 61.65 1ug0 n SER 86 Cb 0.22 -4.59 -0.02 0.00 -1.01 0.00 0.00 64.21 58.80 1ug0 n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug0 n SER 87 N 1.55 1.69 0.00 6.43 7.64 -1.26 -5.24 113.62 124.43 1ug0 n SER 87 Ca -0.24 0.28 0.09 0.00 1.01 0.00 0.00 58.87 60.01 1ug0 n SER 87 Cb 0.40 -0.68 0.51 0.00 -1.01 0.00 0.00 64.21 63.44 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64