#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmi n THR 2 N 0.00 0.00 -4.65 3.17 -1.04 -1.12 -4.13 114.28 106.50 1wmi n THR 2 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1wmi n THR 2 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1wmi n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wmi s TYR 3 N -4.16 2.66 -0.18 -1.42 2.02 0.27 -4.97 117.35 111.57 1wmi s TYR 3 Ca 0.00 -0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.33 1wmi s TYR 3 Cb 0.00 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1wmi s TYR 3 CO 0.00 0.27 0.51 0.50 -1.57 0.00 0.00 175.55 175.26 1wmi s ARG 4 N -1.32 4.23 -0.18 -0.62 3.52 -0.66 -4.56 118.95 119.36 1wmi s ARG 4 Ca 0.15 0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 56.10 1wmi s ARG 4 Cb -0.11 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1wmi s ARG 4 CO 0.05 -0.07 0.05 0.08 -0.81 0.00 0.00 175.30 174.61 1wmi s VAL 5 N 1.38 4.70 0.11 7.11 1.01 -1.26 -0.90 120.40 132.54 1wmi s VAL 5 Ca 0.25 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1wmi s VAL 5 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1wmi s VAL 5 CO 0.10 0.46 -0.24 -0.54 0.00 0.00 0.00 175.10 174.88 1wmi s LYS 6 N 0.43 1.26 -0.04 2.72 1.02 0.62 -4.98 119.74 120.78 1wmi s LYS 6 Ca 0.03 -1.24 0.06 0.00 0.02 0.00 0.00 55.97 54.84 1wmi s LYS 6 Cb -0.13 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 1wmi s LYS 6 CO 0.01 0.38 -0.22 0.42 -0.92 0.00 0.00 175.35 175.02 1wmi s ILE 7 N -1.10 1.76 0.37 2.17 1.01 -1.26 -0.16 121.20 123.98 1wmi s ILE 7 Ca 0.10 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 1wmi s ILE 7 Cb -0.10 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 1wmi s ILE 7 CO 0.05 0.50 1.11 -2.28 0.00 0.00 0.00 174.94 174.32 1wmi s HIS 8 N -0.16 3.27 0.24 3.97 5.65 -1.00 -4.89 115.29 122.37 1wmi s HIS 8 Ca -0.01 1.62 -0.08 0.00 0.25 0.00 0.00 55.06 56.84 1wmi s HIS 8 Cb -0.12 -3.28 0.40 0.00 -1.18 0.00 0.00 32.58 28.40 1wmi s HIS 8 CO 0.02 -0.89 1.63 -0.22 -0.65 0.00 0.00 174.74 174.63 1wmi h LYS 9 N 2.93 0.07 0.00 2.88 1.63 -1.95 -0.10 116.57 122.03 1wmi h LYS 9 Ca -0.48 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.28 1wmi h LYS 9 Cb 1.22 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1wmi h LYS 9 CO 0.64 0.05 -0.19 1.96 -3.45 0.00 0.00 179.45 178.45 1wmi h GLN 10 N 0.08 0.00 -0.12 1.90 1.08 -1.94 -2.47 115.11 113.64 1wmi h GLN 10 Ca 0.39 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.54 1wmi h GLN 10 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1wmi h GLN 10 CO -0.68 0.19 -0.13 0.28 -0.95 0.00 0.00 178.83 177.54 1wmi h VAL 11 N 0.00 1.36 -0.87 -0.54 2.07 -1.33 -2.04 116.25 114.90 1wmi h VAL 11 Ca -0.00 -1.32 0.15 0.00 0.82 0.00 0.00 66.70 66.34 1wmi h VAL 11 Cb 0.38 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 1wmi h VAL 11 CO 0.02 0.38 0.47 0.58 0.02 0.00 0.00 177.57 179.05 1wmi h VAL 12 N -0.11 0.75 -0.24 2.57 2.07 -1.02 0.60 116.25 120.88 1wmi h VAL 12 Ca 0.02 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1wmi h VAL 12 Cb 0.67 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1wmi h VAL 12 CO 0.03 0.12 0.03 0.50 0.02 0.00 0.00 177.57 178.28 1wmi h LYS 13 N 0.67 0.40 0.00 1.57 3.64 -1.34 -2.82 116.57 118.68 1wmi h LYS 13 Ca 0.47 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1wmi h LYS 13 Cb 0.65 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1wmi h LYS 13 CO -0.35 0.54 -0.12 0.00 -2.27 0.00 0.00 179.45 177.25 1wmi h ALA 14 N 0.84 1.69 0.00 5.00 0.00 -0.51 -2.49 119.26 123.79 1wmi h ALA 14 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wmi h ALA 14 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wmi h ALA 14 CO 0.01 0.15 -0.04 1.25 0.00 0.00 0.00 179.25 180.62 1wmi h LEU 15 N 0.00 0.00 -0.01 0.00 5.85 -0.66 -2.45 115.31 118.05 1wmi h LEU 15 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wmi h LEU 15 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1wmi h LEU 15 CO 0.02 0.04 0.00 1.67 -0.34 0.00 0.00 178.44 179.83 1wmi n GLN 16 N -3.55 0.03 0.00 1.25 7.27 -0.94 -2.81 117.38 118.63 1wmi n GLN 16 Ca -0.02 0.06 0.13 0.00 0.07 0.00 0.00 57.00 57.23 1wmi n GLN 16 Cb 0.15 -1.53 0.42 0.00 2.41 0.00 0.00 30.24 31.68 1wmi n GLN 16 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1wmi n SER 17 N -1.58 0.28 -4.81 1.69 7.64 -0.92 -4.90 113.62 111.03 1wmi n SER 17 Ca 0.06 0.08 -0.35 0.00 1.01 0.00 0.00 58.87 59.68 1wmi n SER 17 Cb 0.32 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 1wmi n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wmi s LEU 18 N -3.00 4.18 0.62 -3.43 1.02 -1.12 -5.04 118.68 111.91 1wmi s LEU 18 Ca 0.12 1.63 -0.18 0.00 0.02 0.00 0.00 54.13 55.72 1wmi s LEU 18 Cb 0.18 -4.10 -0.03 0.00 0.02 0.00 0.00 46.19 42.27 1wmi s LEU 18 CO 0.62 -0.15 1.25 -2.84 0.02 0.00 0.00 176.35 175.25 1wmi s PRO 19 N -2.50 2.79 0.26 1.29 0.02 -1.26 -4.72 135.00 130.87 1wmi s PRO 19 Ca 0.53 1.94 -0.08 0.00 0.02 0.00 0.00 61.00 63.40 1wmi s PRO 19 Cb -0.14 -1.89 0.44 0.00 0.02 0.00 0.00 34.50 32.92 1wmi s PRO 19 CO 0.19 -1.38 1.58 -0.22 -0.33 0.00 0.00 177.00 176.85 1wmi h LYS 20 N 0.74 0.01 -0.33 5.54 3.64 -1.98 -0.24 116.57 123.96 1wmi h LYS 20 Ca -0.51 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1wmi h LYS 20 Cb 1.32 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 1wmi h LYS 20 CO 0.54 0.01 -0.04 0.00 -2.27 0.00 0.00 179.45 177.69 1wmi h ALA 21 N 1.88 0.26 -0.64 5.00 0.00 -2.00 -1.58 119.26 122.19 1wmi h ALA 21 Ca 0.44 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 1wmi h ALA 21 Cb 0.72 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1wmi h ALA 21 CO -0.89 -0.43 0.22 0.45 0.00 0.00 0.00 179.25 178.59 1wmi h HIS 22 N 0.05 0.97 -0.57 0.00 3.86 -1.41 -2.51 115.15 115.54 1wmi h HIS 22 Ca 0.16 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1wmi h HIS 22 Cb 0.23 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1wmi h HIS 22 CO -0.26 0.77 0.24 -0.92 0.86 0.00 0.00 177.93 178.61 1wmi h TYR 23 N 0.93 0.86 -0.92 2.45 3.20 -0.88 -2.00 116.97 120.61 1wmi h TYR 23 Ca 0.21 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1wmi h TYR 23 Cb 0.24 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1wmi h TYR 23 CO 0.02 0.69 0.58 -0.09 -1.64 0.00 0.00 178.16 177.72 1wmi h ARG 24 N 0.79 1.03 -0.49 1.82 2.43 -0.94 -1.24 114.38 117.77 1wmi h ARG 24 Ca 0.19 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1wmi h ARG 24 Cb 0.19 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1wmi h ARG 24 CO -0.02 0.68 0.03 -0.09 -1.51 0.00 0.00 179.97 179.07 1wmi h ARG 25 N 1.07 0.80 -0.52 0.20 2.43 -1.04 -1.95 114.38 115.37 1wmi h ARG 25 Ca 0.40 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1wmi h ARG 25 Cb 0.16 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1wmi h ARG 25 CO -0.17 0.78 0.14 0.35 -1.51 0.00 0.00 179.97 179.56 1wmi h PHE 26 N 0.75 0.86 -0.39 2.20 3.04 -0.53 -0.66 116.94 122.22 1wmi h PHE 26 Ca 0.15 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1wmi h PHE 26 Cb 0.41 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1wmi h PHE 26 CO 0.02 0.75 0.06 -0.07 -2.02 0.00 0.00 178.31 177.05 1wmi h LEU 27 N 0.72 0.54 -0.52 0.59 3.38 -0.94 0.64 115.31 119.72 1wmi h LEU 27 Ca 0.16 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1wmi h LEU 27 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wmi h LEU 27 CO -0.00 0.57 -0.32 -0.08 0.09 0.00 0.00 178.44 178.69 1wmi h GLU 28 N 0.56 0.85 -0.72 1.13 4.81 -0.88 0.31 114.58 120.65 1wmi h GLU 28 Ca 0.13 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1wmi h GLU 28 Cb 0.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1wmi h GLU 28 CO 0.00 1.05 0.44 0.35 -0.73 0.00 0.00 179.01 180.12 1wmi h PHE 29 N 0.72 0.95 -0.38 0.92 3.57 -0.36 0.49 116.94 122.85 1wmi h PHE 29 Ca 0.07 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1wmi h PHE 29 Cb 0.89 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1wmi h PHE 29 CO 0.05 0.64 0.16 -0.09 -2.23 0.00 0.00 178.31 176.85 1wmi h ARG 30 N 0.99 0.56 -0.85 1.11 2.43 -0.50 0.17 114.38 118.29 1wmi h ARG 30 Ca 0.26 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1wmi h ARG 30 Cb -0.03 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1wmi h ARG 30 CO -0.05 0.52 0.48 -0.44 -1.51 0.00 0.00 179.97 178.98 1wmi h ASP 31 N 0.47 1.05 -0.24 -3.80 3.45 -0.36 -2.69 116.42 114.30 1wmi h ASP 31 Ca 0.13 -0.09 -0.19 0.00 0.43 0.00 0.00 57.03 57.31 1wmi h ASP 31 Cb 0.16 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1wmi h ASP 31 CO -0.01 0.83 -0.58 0.40 -1.57 0.00 0.00 179.24 178.31 1wmi h ILE 32 N 1.18 1.28 -0.68 0.35 2.04 -0.73 -3.17 117.51 117.77 1wmi h ILE 32 Ca 0.30 -1.77 0.11 0.00 1.00 0.00 0.00 64.86 64.50 1wmi h ILE 32 Cb 0.00 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1wmi h ILE 32 CO -0.05 0.57 0.45 -0.07 0.00 0.00 0.00 178.15 179.06 1wmi h LEU 33 N 0.64 0.43 -2.05 1.44 4.07 -0.68 0.20 115.31 119.36 1wmi h LEU 33 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1wmi h LEU 33 Cb 1.19 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 1wmi h LEU 33 CO 0.13 0.25 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.36 1wmi h GLU 34 N 0.47 0.00 0.00 1.13 5.08 -1.45 -3.22 114.58 116.59 1wmi h GLU 34 Ca 0.32 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.37 1wmi h GLU 34 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1wmi h GLU 34 CO -0.10 0.05 -2.12 0.66 -1.00 0.00 0.00 179.01 176.49 1wmi n TYR 35 N -3.27 0.00 -4.00 4.33 4.01 -0.40 -0.57 117.16 117.27 1wmi n TYR 35 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 1wmi n TYR 35 Cb 0.22 -0.75 -0.15 0.00 -0.31 0.00 0.00 39.34 38.35 1wmi n TYR 35 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1wmi s GLU 36 N -2.39 1.82 0.41 -0.72 2.56 0.57 -4.90 118.70 116.05 1wmi s GLU 36 Ca -0.27 -1.26 0.13 0.00 0.00 0.00 0.00 54.97 53.57 1wmi s GLU 36 Cb 0.08 -2.77 0.88 0.00 2.00 0.00 0.00 34.13 34.32 1wmi s GLU 36 CO 0.43 -0.65 1.93 -1.00 -0.56 0.00 0.00 175.26 175.41 1wmi h PRO 37 N 7.84 0.05 -2.72 4.30 0.13 -1.82 -3.34 132.00 136.45 1wmi h PRO 37 Ca -0.16 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 1wmi h PRO 37 Cb 1.05 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.77 1wmi h PRO 37 CO 0.45 0.27 -0.75 0.28 -0.23 0.00 0.00 178.00 178.02 1wmi n VAL 38 N -4.26 0.47 -1.54 1.56 0.31 -1.26 -4.99 118.33 108.62 1wmi n VAL 38 Ca -0.02 -4.29 -0.41 0.00 -0.01 0.00 0.00 64.34 59.61 1wmi n VAL 38 Cb 0.29 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.24 1wmi n VAL 38 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wmi n PRO 39 N 2.23 2.74 -0.18 5.55 -0.04 -1.26 -4.79 135.00 139.25 1wmi n PRO 39 Ca 0.24 -2.39 -0.06 0.00 -0.04 0.00 0.00 63.50 61.26 1wmi n PRO 39 Cb 0.41 -3.13 -0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1wmi n PRO 39 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1wmi h ARG 40 N 6.15 -0.18 0.34 0.54 2.43 -1.93 -2.24 114.38 119.48 1wmi h ARG 40 Ca 0.59 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.76 1wmi h ARG 40 Cb 0.57 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1wmi h ARG 40 CO 1.87 -0.12 -0.16 1.49 -1.51 0.00 0.00 179.97 181.54 1wmi h GLU 41 N -0.19 -0.44 0.00 0.20 4.57 -1.92 0.30 114.58 117.10 1wmi h GLU 41 Ca 0.21 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1wmi h GLU 41 Cb 0.55 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1wmi h GLU 41 CO -0.65 -0.22 -0.32 -0.22 -1.18 0.00 0.00 179.01 176.42 1wmi h LYS 42 N -0.58 0.00 0.00 1.92 3.64 -1.96 -3.28 116.57 116.30 1wmi h LYS 42 Ca -0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wmi h LYS 42 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1wmi h LYS 42 CO 0.08 0.32 -0.14 1.19 -2.27 0.00 0.00 179.45 178.63 1wmi n PHE 43 N -3.75 0.00 -4.44 1.91 3.72 -0.85 -5.00 117.46 109.05 1wmi n PHE 43 Ca -0.01 -0.85 -0.40 0.00 -0.05 0.00 0.00 57.45 56.14 1wmi n PHE 43 Cb 0.42 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1wmi n PHE 43 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wmi n ASP 44 N -1.12 -2.15 -4.77 4.37 -0.08 0.07 -1.17 116.55 111.70 1wmi n ASP 44 Ca 0.13 -1.18 -0.38 0.00 -1.51 0.00 0.00 54.79 51.86 1wmi n ASP 44 Cb 0.66 -1.95 -0.03 0.00 2.34 0.00 0.00 41.12 42.14 1wmi n ASP 44 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1wmi s VAL 45 N -3.31 3.52 0.03 5.18 -7.23 -1.08 -4.47 120.40 113.04 1wmi s VAL 45 Ca 0.77 1.24 0.05 0.00 -1.81 0.00 0.00 61.98 62.23 1wmi s VAL 45 Cb -0.44 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 32.80 1wmi s VAL 45 CO 1.00 0.08 -0.13 0.27 -0.31 0.00 0.00 175.10 176.01 1wmi s ILE 46 N -1.52 1.06 -0.41 -0.62 -4.36 -0.74 -4.79 121.20 109.82 1wmi s ILE 46 Ca 0.56 -0.92 -0.26 0.00 -0.26 0.00 0.00 60.65 59.77 1wmi s ILE 46 Cb -0.26 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.52 1wmi s ILE 46 CO 0.33 0.03 0.96 -0.75 0.24 0.00 0.00 174.94 175.74 1wmi s LYS 47 N -1.01 3.75 -0.01 0.37 2.20 -1.26 -1.54 119.74 122.23 1wmi s LYS 47 Ca 0.02 0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 56.07 1wmi s LYS 47 Cb -0.07 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1wmi s LYS 47 CO 0.01 -1.07 0.41 -0.07 -0.36 0.00 0.00 175.35 174.26 1wmi h LEU 48 N 10.34 -0.10 -7.80 5.43 4.07 -1.25 -3.44 115.31 122.56 1wmi h LEU 48 Ca -0.23 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.07 1wmi h LEU 48 Cb 1.07 0.03 -0.38 0.00 1.08 0.00 0.00 40.66 42.46 1wmi h LEU 48 CO 1.01 0.01 -0.78 -0.70 -1.08 0.00 0.00 178.44 176.90 1wmi s GLU 49 N -2.07 2.01 -0.19 1.13 2.56 -1.14 -4.95 118.70 116.05 1wmi s GLU 49 Ca -0.02 -1.39 -0.10 0.00 0.00 0.00 0.00 54.97 53.46 1wmi s GLU 49 Cb 0.00 -2.89 -0.05 0.00 2.00 0.00 0.00 34.13 33.19 1wmi s GLU 49 CO 0.05 -0.64 0.16 0.20 -0.56 0.00 0.00 175.26 174.47 1wmi s GLY 50 N 1.11 2.08 -0.18 -1.50 0.00 -1.26 -0.69 107.32 106.88 1wmi s GLY 50 Ca -0.05 -0.65 0.17 0.00 0.00 0.00 0.00 44.72 44.19 1wmi s GLY 50 CO -0.06 0.14 1.22 2.41 0.00 0.00 0.00 173.10 176.81 1wmi n THR 51 N 3.40 0.44 0.00 0.90 -1.04 -1.24 -5.01 114.28 111.72 1wmi n THR 51 Ca -0.16 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.36 1wmi n THR 51 Cb 0.52 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 1wmi n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wmi n GLY 52 N -0.49 0.06 0.00 3.41 0.00 -1.26 -4.40 105.19 102.51 1wmi n GLY 52 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wmi n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmi n ASP 53 N 0.07 0.00 -4.87 1.61 8.00 -1.26 -4.88 116.55 115.23 1wmi n ASP 53 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1wmi n ASP 53 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1wmi n ASP 53 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1wmi s LEU 54 N 0.00 4.32 0.10 0.64 0.05 -1.26 -3.51 118.68 119.03 1wmi s LEU 54 Ca 0.00 0.43 0.09 0.00 0.05 0.00 0.00 54.13 54.70 1wmi s LEU 54 Cb 0.00 -2.12 -0.04 0.00 -2.05 0.00 0.00 46.19 41.99 1wmi s LEU 54 CO 0.00 0.39 -0.21 -1.81 -0.55 0.00 0.00 176.35 174.17 1wmi s ASP 55 N -1.13 3.69 -0.04 1.48 -0.00 -0.71 -3.68 116.67 116.28 1wmi s ASP 55 Ca 0.16 -0.58 -0.01 0.00 -0.00 0.00 0.00 52.55 52.13 1wmi s ASP 55 Cb -0.12 -0.47 -0.04 0.00 -0.00 0.00 0.00 42.92 42.30 1wmi s ASP 55 CO 0.06 0.20 0.04 -0.76 -0.00 0.00 0.00 175.17 174.71 1wmi s LEU 56 N -1.93 3.74 0.11 1.23 1.43 0.13 -0.95 118.68 122.44 1wmi s LEU 56 Ca 0.16 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1wmi s LEU 56 Cb -0.10 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1wmi s LEU 56 CO 0.08 0.32 0.01 -0.31 0.23 0.00 0.00 176.35 176.68 1wmi s TYR 57 N -1.06 0.83 -0.10 0.29 2.02 0.52 -0.73 117.35 119.12 1wmi s TYR 57 Ca 0.19 -1.13 -0.00 0.00 -0.37 0.00 0.00 57.07 55.75 1wmi s TYR 57 Cb -0.12 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1wmi s TYR 57 CO 0.09 -0.41 -0.07 0.50 -1.57 0.00 0.00 175.55 174.09 1wmi s ARG 58 N -3.98 1.39 0.03 -0.62 3.52 -0.59 -1.74 118.95 116.96 1wmi s ARG 58 Ca 0.18 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 1wmi s ARG 58 Cb 0.07 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.97 1wmi s ARG 58 CO -0.02 -0.24 -0.06 0.00 -0.81 0.00 0.00 175.30 174.18 1wmi s ALA 59 N 1.61 3.05 -0.24 6.12 0.00 0.15 -1.79 121.76 130.65 1wmi s ALA 59 Ca 0.02 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 1wmi s ALA 59 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1wmi s ALA 59 CO -0.06 0.63 0.02 0.50 0.00 0.00 0.00 175.76 176.84 1wmi s ARG 60 N -1.63 3.51 0.00 0.00 3.52 -0.31 -0.31 118.95 123.73 1wmi s ARG 60 Ca 0.19 -0.55 0.17 0.00 -0.13 0.00 0.00 55.73 55.41 1wmi s ARG 60 Cb -0.11 -3.17 0.48 0.00 -1.56 0.00 0.00 34.95 30.58 1wmi s ARG 60 CO 0.10 -0.20 1.40 1.28 -0.81 0.00 0.00 175.30 177.07 1wmi n LEU 61 N 4.86 3.46 0.00 -0.88 4.32 -0.61 -4.61 117.00 123.55 1wmi n LEU 61 Ca -0.17 -1.96 0.00 0.00 -0.02 0.00 0.00 56.01 53.86 1wmi n LEU 61 Cb 0.51 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1wmi n LEU 61 CO 0.30 0.86 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 1wmi n GLY 62 N 1.14 1.38 0.00 -0.72 0.00 -1.26 -4.67 105.19 101.06 1wmi n GLY 62 Ca 0.18 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1wmi n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmi n ASP 63 N 0.00 0.00 -3.82 1.61 10.43 -1.26 -4.80 116.55 118.71 1wmi n ASP 63 Ca 0.00 0.39 -0.09 0.00 2.57 0.00 0.00 54.79 57.65 1wmi n ASP 63 Cb 0.00 -0.44 -0.04 0.00 1.84 0.00 0.00 41.12 42.48 1wmi n ASP 63 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1wmi s TYR 64 N -2.87 0.30 0.06 1.24 -0.85 -1.26 -2.73 117.35 111.23 1wmi s TYR 64 Ca 0.07 -0.69 0.08 0.00 -0.52 0.00 0.00 57.07 56.01 1wmi s TYR 64 Cb 0.08 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1wmi s TYR 64 CO 0.21 -1.10 -0.23 1.03 -1.52 0.00 0.00 175.55 173.94 1wmi s ARG 65 N -3.78 1.44 -0.06 -3.49 0.52 0.67 -1.58 118.95 112.67 1wmi s ARG 65 Ca 0.20 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.42 1wmi s ARG 65 Cb -0.02 -1.62 -0.01 0.00 0.52 0.00 0.00 34.95 33.82 1wmi s ARG 65 CO 0.10 0.41 -0.23 0.14 0.02 0.00 0.00 175.30 175.74 1wmi s VAL 66 N -0.88 1.88 -0.14 3.52 -7.23 0.58 -0.13 120.40 118.00 1wmi s VAL 66 Ca 0.09 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1wmi s VAL 66 Cb -0.09 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1wmi s VAL 66 CO 0.03 0.52 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.67 1wmi s ILE 67 N 0.01 3.93 0.16 -0.62 1.01 0.02 0.31 121.20 126.02 1wmi s ILE 67 Ca -0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1wmi s ILE 67 Cb -0.14 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1wmi s ILE 67 CO 0.04 0.52 0.21 -0.72 0.00 0.00 0.00 174.94 174.99 1wmi s TYR 68 N 0.07 0.63 0.18 3.97 -0.85 -0.71 -0.29 117.35 120.34 1wmi s TYR 68 Ca -0.00 -0.98 0.10 0.00 -0.52 0.00 0.00 57.07 55.68 1wmi s TYR 68 Cb -0.13 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 1wmi s TYR 68 CO 0.03 -0.67 -0.18 -1.54 -1.52 0.00 0.00 175.55 171.67 1wmi s SER 69 N -3.02 3.80 -0.14 -0.18 1.04 0.24 -0.36 113.70 115.08 1wmi s SER 69 Ca 0.22 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1wmi s SER 69 Cb 0.05 -0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.73 1wmi s SER 69 CO 0.03 0.12 -0.11 -0.69 0.98 0.00 0.00 173.24 173.57 1wmi s VAL 70 N -1.66 1.35 -0.53 5.02 1.01 -0.13 -1.29 120.40 124.18 1wmi s VAL 70 Ca 0.22 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1wmi s VAL 70 Cb -0.08 -1.34 0.13 0.00 0.00 0.00 0.00 36.38 35.09 1wmi s VAL 70 CO 0.12 0.36 0.45 0.21 0.00 0.00 0.00 175.10 176.24 1wmi s ASN 71 N 1.57 5.99 0.30 3.32 3.84 0.35 -1.75 114.94 128.56 1wmi s ASN 71 Ca 0.04 -1.92 0.01 0.00 0.21 0.00 0.00 52.86 51.21 1wmi s ASN 71 Cb -0.13 -2.12 0.48 0.00 -0.55 0.00 0.00 41.25 38.93 1wmi s ASN 71 CO -0.09 -0.76 1.83 -0.50 -2.79 0.00 0.00 177.10 174.78 1wmi h TRP 72 N 8.60 0.69 0.00 0.43 4.06 -1.85 0.43 115.95 128.32 1wmi h TRP 72 Ca -0.23 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 1wmi h TRP 72 Cb 1.08 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 1wmi h TRP 72 CO 0.71 0.64 -0.00 -0.22 -3.56 0.00 0.00 178.44 176.01 1wmi h LYS 73 N 0.63 -0.00 0.00 0.49 3.11 -1.92 -3.12 116.57 115.75 1wmi h LYS 73 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1wmi h LYS 73 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1wmi h LYS 73 CO 0.01 0.13 -0.61 -0.25 -2.81 0.00 0.00 179.45 175.92 1wmi n ASP 74 N -5.03 0.58 -3.02 4.20 10.43 -1.20 -4.97 116.55 117.54 1wmi n ASP 74 Ca -0.07 -0.31 -0.14 0.00 2.57 0.00 0.00 54.79 56.83 1wmi n ASP 74 Cb 0.09 0.38 0.07 0.00 1.84 0.00 0.00 41.12 43.50 1wmi n ASP 74 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1wmi n LYS 75 N -1.58 -5.52 -4.74 -1.24 5.02 0.14 -4.88 118.16 105.36 1wmi n LYS 75 Ca 0.05 0.71 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 1wmi n LYS 75 Cb 0.35 -5.30 -0.17 0.00 -0.02 0.00 0.00 35.03 29.89 1wmi n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wmi s VAL 76 N -3.30 1.94 -0.17 -0.18 1.01 -0.65 -1.65 120.40 117.40 1wmi s VAL 76 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1wmi s VAL 76 Cb -0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1wmi s VAL 76 CO 0.61 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.57 1wmi s ILE 77 N 0.75 3.72 -0.10 2.22 1.01 -0.08 -0.50 121.20 128.22 1wmi s ILE 77 Ca -0.10 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1wmi s ILE 77 Cb -0.16 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1wmi s ILE 77 CO 0.00 0.47 -0.24 -0.54 0.00 0.00 0.00 174.94 174.64 1wmi s LYS 78 N 0.70 3.06 -0.53 2.79 1.02 -0.41 -0.27 119.74 126.10 1wmi s LYS 78 Ca -0.02 -0.87 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1wmi s LYS 78 Cb -0.15 -2.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1wmi s LYS 78 CO 0.02 0.18 0.96 0.42 -0.92 0.00 0.00 175.35 176.01 1wmi s ILE 79 N 0.35 4.37 -0.10 2.17 -1.09 0.77 -0.59 121.20 127.09 1wmi s ILE 79 Ca -0.18 0.46 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 1wmi s ILE 79 Cb -0.18 -4.53 -0.17 0.00 -1.58 0.00 0.00 42.46 36.00 1wmi s ILE 79 CO 0.09 -1.06 0.64 -0.07 -1.23 0.00 0.00 174.94 173.30 1wmi h LEU 80 N 10.96 -0.05 -7.90 2.97 -0.00 -0.97 -2.66 115.31 117.66 1wmi h LEU 80 Ca -0.25 -0.56 0.10 0.00 -0.00 0.00 0.00 57.88 57.16 1wmi h LEU 80 Cb 1.07 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.69 1wmi h LEU 80 CO 1.08 0.69 0.32 -1.59 -0.00 0.00 0.00 178.44 178.94 1wmi s LYS 81 N -2.48 1.65 0.22 1.13 -2.85 -0.98 -4.75 119.74 111.67 1wmi s LYS 81 Ca -0.13 -0.93 0.09 0.00 -1.00 0.00 0.00 55.97 54.00 1wmi s LYS 81 Cb -0.01 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1wmi s LYS 81 CO 0.47 -0.76 -0.01 -0.51 0.10 0.00 0.00 175.35 174.64 1wmi s LEU 82 N -2.96 3.21 0.04 2.77 1.43 -1.26 -0.80 118.68 121.11 1wmi s LEU 82 Ca 0.12 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1wmi s LEU 82 Cb -0.04 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1wmi s LEU 82 CO 0.06 0.04 0.15 -0.54 0.23 0.00 0.00 176.35 176.29 1wmi s LYS 83 N -3.31 0.66 1.36 1.70 1.02 0.81 -4.97 119.74 117.02 1wmi s LYS 83 Ca 0.29 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 1wmi s LYS 83 Cb -0.08 0.27 0.34 0.00 -0.52 0.00 0.00 37.83 37.84 1wmi s LYS 83 CO 0.19 -0.18 0.83 -2.30 -0.92 0.00 0.00 175.35 172.96 1wmi n PRO 84 N 0.64 -4.00 -0.34 -1.68 -0.02 -1.26 -0.24 135.00 128.11 1wmi n PRO 84 Ca -0.18 -1.18 0.25 0.00 -2.02 0.00 0.00 63.50 60.37 1wmi n PRO 84 Cb 0.59 -1.93 0.54 0.00 -0.02 0.00 0.00 33.50 32.67 1wmi n PRO 84 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wmi h ARG 85 N -3.30 0.33 0.00 -0.52 9.65 -1.82 -3.31 114.38 115.41 1wmi h ARG 85 Ca -0.45 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1wmi h ARG 85 Cb 1.29 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1wmi h ARG 85 CO 0.30 0.22 0.00 0.41 2.80 0.00 0.00 179.97 183.70 1wmi n GLY 86 N -1.49 2.24 1.37 2.80 0.00 -1.26 -4.84 105.19 104.02 1wmi n GLY 86 Ca 0.27 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1wmi n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wmi n ARG 87 N 0.15 0.00 0.00 1.61 1.74 -1.26 -5.20 116.66 113.69 1wmi n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wmi n ARG 87 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1wmi n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11