#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxs n PRO -3 N 0.00 -2.93 0.00 1.61 -0.04 -1.26 -5.04 135.00 127.33 1wxs n PRO -3 Ca 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1wxs n PRO -3 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1wxs n PRO -3 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1wxs n LEU -2 N 0.00 1.26 -0.07 1.53 7.94 -1.26 -4.87 117.00 121.54 1wxs n LEU -2 Ca 0.13 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.82 1wxs n LEU -2 Cb 0.52 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.35 1wxs n LEU -2 CO 0.36 0.20 -0.50 1.23 -1.11 0.00 0.00 177.39 177.57 1wxs h GLY -1 N 0.00 0.10 -3.66 -3.96 0.00 -2.06 -3.48 103.07 90.00 1wxs h GLY -1 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 47.33 46.73 1wxs h GLY -1 CO 0.00 0.22 -0.51 1.44 0.00 0.00 0.00 176.54 177.69 1wxs n SER 0 N -4.20 -5.43 -3.05 0.19 7.64 -1.26 -4.93 113.62 102.59 1wxs n SER 0 Ca -0.30 -0.21 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 1wxs n SER 0 Cb 0.77 -4.30 -0.01 0.00 -1.01 0.00 0.00 64.21 59.66 1wxs n SER 0 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1wxs n MET 1 N -3.41 3.80 -2.74 1.43 0.00 -1.26 -4.80 117.12 110.14 1wxs n MET 1 Ca -0.11 -4.68 -0.06 0.00 0.00 0.00 0.00 57.70 52.85 1wxs n MET 1 Cb 0.61 -2.30 0.04 0.00 0.00 0.00 0.00 33.22 31.57 1wxs n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1wxs n SER 2 N -0.25 -2.75 -3.95 3.17 2.88 -1.26 -5.11 113.62 106.34 1wxs n SER 2 Ca 0.38 -2.83 -0.08 0.00 -1.33 0.00 0.00 58.87 55.01 1wxs n SER 2 Cb 0.39 1.59 -0.08 0.00 -0.75 0.00 0.00 64.21 65.35 1wxs n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wxs s LYS 3 N 0.69 0.73 0.06 -1.46 1.02 -1.26 -3.28 119.74 116.23 1wxs s LYS 3 Ca 0.30 -1.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1wxs s LYS 3 Cb 0.16 0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.78 1wxs s LYS 3 CO -0.16 -0.19 0.37 0.14 -0.92 0.00 0.00 175.35 174.59 1wxs s VAL 4 N -3.73 0.07 -0.40 3.17 -7.23 -0.39 -4.83 120.40 107.05 1wxs s VAL 4 Ca 0.04 -0.57 -0.15 0.00 -1.81 0.00 0.00 61.98 59.49 1wxs s VAL 4 Cb 0.05 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 36.00 1wxs s VAL 4 CO -0.10 -0.31 0.31 -0.44 -0.31 0.00 0.00 175.10 174.25 1wxs s SER 5 N -2.22 6.12 -0.44 4.85 0.01 -1.26 -0.93 113.70 119.82 1wxs s SER 5 Ca -0.03 -0.82 -0.17 0.00 1.31 0.00 0.00 55.95 56.23 1wxs s SER 5 Cb -0.00 -2.17 0.04 0.00 0.21 0.00 0.00 66.02 64.10 1wxs s SER 5 CO -0.05 -0.44 0.44 0.12 0.41 0.00 0.00 173.24 173.72 1wxs s PHE 6 N 1.74 3.17 -0.00 2.43 2.19 0.85 -4.78 117.98 123.57 1wxs s PHE 6 Ca 0.06 -0.53 -0.30 0.00 0.33 0.00 0.00 56.93 56.49 1wxs s PHE 6 Cb -0.19 -3.01 -0.03 0.00 -1.31 0.00 0.00 43.02 38.48 1wxs s PHE 6 CO 0.10 -0.76 1.02 0.21 1.83 0.00 0.00 175.22 177.62 1wxs s LYS 7 N 2.07 4.53 -0.26 10.12 2.20 -0.21 0.07 119.74 138.26 1wxs s LYS 7 Ca 0.10 1.47 0.01 0.00 -0.36 0.00 0.00 55.97 57.19 1wxs s LYS 7 Cb -0.19 -3.45 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1wxs s LYS 7 CO 0.12 -0.11 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.42 1wxs s ILE 8 N 1.13 2.52 0.03 5.43 2.07 0.41 -0.99 121.20 131.79 1wxs s ILE 8 Ca 0.53 -1.40 0.08 0.00 -1.41 0.00 0.00 60.65 58.45 1wxs s ILE 8 Cb -0.22 -2.40 -0.02 0.00 0.13 0.00 0.00 42.46 39.94 1wxs s ILE 8 CO 0.27 0.04 -0.23 0.42 -1.91 0.00 0.00 174.94 173.53 1wxs s THR 9 N 1.20 1.81 0.00 4.00 -4.23 -1.03 -3.48 115.64 113.92 1wxs s THR 9 Ca -0.05 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1wxs s THR 9 Cb -0.19 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1wxs s THR 9 CO -0.04 0.31 0.00 -0.11 -0.54 0.00 0.00 174.62 174.23 1wxs n LEU 10 N 1.97 0.00 0.00 4.79 7.94 -1.26 -1.10 117.00 129.34 1wxs n LEU 10 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1wxs n LEU 10 Cb 0.53 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1wxs n LEU 10 CO 0.23 -0.44 0.25 0.41 -1.11 0.00 0.00 177.39 176.73 1wxs n THR 11 N -2.38 0.02 -1.23 1.96 -1.04 -1.26 -4.96 114.28 105.39 1wxs n THR 11 Ca 0.00 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.91 1wxs n THR 11 Cb 0.00 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 69.50 1wxs n THR 11 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wxs n SER 12 N -0.01 -4.61 -1.38 8.00 7.64 -1.26 -4.73 113.62 117.26 1wxs n SER 12 Ca 0.00 0.20 0.17 0.00 1.01 0.00 0.00 58.87 60.25 1wxs n SER 12 Cb 0.49 -2.81 -0.09 0.00 -1.01 0.00 0.00 64.21 60.79 1wxs n SER 12 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wxs n ASP 13 N -0.24 -7.72 -0.03 6.43 9.92 -1.26 -4.07 116.55 119.58 1wxs n ASP 13 Ca -0.08 1.30 -0.13 0.00 -0.53 0.00 0.00 54.79 55.35 1wxs n ASP 13 Cb 0.37 -4.69 -0.09 0.00 -0.64 0.00 0.00 41.12 36.07 1wxs n ASP 13 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wxs h PRO 14 N -1.35 0.12 -2.11 -0.24 0.13 -2.01 -3.38 132.00 123.15 1wxs h PRO 14 Ca -0.17 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.34 1wxs h PRO 14 Cb 1.32 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.05 1wxs h PRO 14 CO 0.07 0.58 -0.89 0.54 -0.23 0.00 0.00 178.00 178.07 1wxs n ARG 15 N -4.75 1.80 -3.54 0.86 1.74 -1.26 -5.07 116.66 106.43 1wxs n ARG 15 Ca -0.08 -4.00 -0.07 0.00 -0.77 0.00 0.00 57.85 52.94 1wxs n ARG 15 Cb 0.29 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 1wxs n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wxs s LEU 16 N -2.29 -0.27 -0.02 0.55 1.02 -1.26 -5.07 118.68 111.33 1wxs s LEU 16 Ca 0.40 -0.01 -0.24 0.00 0.02 0.00 0.00 54.13 54.30 1wxs s LEU 16 Cb 0.23 1.79 -0.17 0.00 0.02 0.00 0.00 46.19 48.05 1wxs s LEU 16 CO -0.08 -0.49 1.11 1.55 0.02 0.00 0.00 176.35 178.47 1wxs h PRO 17 N 2.00 -0.21 -1.87 1.29 0.13 -1.93 -3.40 132.00 128.01 1wxs h PRO 17 Ca -0.18 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.19 1wxs h PRO 17 Cb 1.21 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1wxs h PRO 17 CO 0.28 0.20 0.66 1.52 -0.23 0.00 0.00 178.00 180.43 1wxs s TYR 18 N -4.09 -0.16 -0.25 1.56 -0.85 -1.26 -4.72 117.35 107.59 1wxs s TYR 18 Ca -0.14 0.01 -0.09 0.00 -0.52 0.00 0.00 57.07 56.33 1wxs s TYR 18 Cb 0.01 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1wxs s TYR 18 CO 0.56 -0.46 0.12 0.15 -1.52 0.00 0.00 175.55 174.41 1wxs s LYS 19 N -2.80 3.89 -0.13 -3.49 -0.14 -1.23 -5.01 119.74 110.84 1wxs s LYS 19 Ca 0.10 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1wxs s LYS 19 Cb 0.01 -3.46 -0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1wxs s LYS 19 CO -0.04 -0.06 -0.19 0.54 -0.76 0.00 0.00 175.35 174.84 1wxs s VAL 20 N 1.34 2.39 0.49 3.17 0.11 -1.26 -0.45 120.40 126.18 1wxs s VAL 20 Ca 0.06 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1wxs s VAL 20 Cb -0.15 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.73 1wxs s VAL 20 CO 0.06 0.54 0.18 -0.22 -3.33 0.00 0.00 175.10 172.33 1wxs s LEU 21 N 0.58 2.70 -0.03 2.54 0.20 0.11 -4.86 118.68 119.92 1wxs s LEU 21 Ca -0.11 -1.34 -0.02 0.00 0.69 0.00 0.00 54.13 53.35 1wxs s LEU 21 Cb -0.16 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.51 1wxs s LEU 21 CO 0.03 -0.82 0.07 -0.55 -0.29 0.00 0.00 176.35 174.79 1wxs s SER 22 N -4.01 -0.06 0.05 3.68 0.15 -1.26 -0.11 113.70 112.16 1wxs s SER 22 Ca 0.27 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.86 1wxs s SER 22 Cb 0.01 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1wxs s SER 22 CO 0.15 -0.04 0.42 0.68 1.20 0.00 0.00 173.24 175.65 1wxs s VAL 23 N 0.21 0.05 1.08 4.45 -7.23 -0.11 -4.83 120.40 114.02 1wxs s VAL 23 Ca -0.01 -0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.56 1wxs s VAL 23 Cb -0.02 -0.98 0.23 0.00 0.56 0.00 0.00 36.38 36.16 1wxs s VAL 23 CO -0.01 -0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 173.47 1wxs s PRO 24 N -2.64 -0.21 0.12 4.82 0.04 -1.26 -1.26 135.00 134.62 1wxs s PRO 24 Ca -0.04 0.33 0.15 0.00 0.04 0.00 0.00 61.00 61.48 1wxs s PRO 24 Cb -0.00 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1wxs s PRO 24 CO -0.04 -3.12 1.05 1.49 0.04 0.00 0.00 177.00 176.42 1wxs h GLU 25 N -2.17 0.00 -2.42 4.56 4.81 -1.87 -3.35 114.58 114.15 1wxs h GLU 25 Ca -0.52 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 57.98 1wxs h GLU 25 Cb 1.32 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.53 1wxs h GLU 25 CO 0.51 0.45 1.77 0.45 -0.73 0.00 0.00 179.01 181.45 1wxs n SER 26 N -3.05 7.66 -4.37 1.04 2.88 -1.26 -1.95 113.62 114.57 1wxs n SER 26 Ca -0.06 -3.31 -0.22 0.00 -1.33 0.00 0.00 58.87 53.95 1wxs n SER 26 Cb 0.84 -1.29 -0.11 0.00 -0.75 0.00 0.00 64.21 62.90 1wxs n SER 26 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1wxs s THR 27 N -2.22 1.98 -0.17 2.46 -4.23 -1.26 -5.00 115.64 107.21 1wxs s THR 27 Ca 0.51 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 1wxs s THR 27 Cb 0.22 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1wxs s THR 27 CO -0.14 -0.34 1.56 -2.16 -0.54 0.00 0.00 174.62 173.00 1wxs s PRO 28 N -3.00 3.98 0.19 3.99 0.04 -1.26 -1.72 135.00 137.22 1wxs s PRO 28 Ca 0.19 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1wxs s PRO 28 Cb -0.05 -3.97 0.19 0.00 0.04 0.00 0.00 34.50 30.71 1wxs s PRO 28 CO 0.08 -1.06 1.73 0.27 0.04 0.00 0.00 177.00 178.06 1wxs h PHE 29 N 9.91 0.21 0.72 0.56 -0.00 -1.88 0.17 116.94 126.63 1wxs h PHE 29 Ca -0.34 0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.63 1wxs h PHE 29 Cb 1.15 -0.02 0.01 0.00 -0.00 0.00 0.00 35.95 37.09 1wxs h PHE 29 CO 0.88 0.03 -0.35 1.15 -0.00 0.00 0.00 178.31 180.02 1wxs h THR 30 N 0.27 0.00 -0.47 0.88 2.02 -1.91 -0.96 112.91 112.74 1wxs h THR 30 Ca 0.25 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.44 1wxs h THR 30 Cb 0.31 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.63 1wxs h THR 30 CO -0.30 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.40 1wxs h ALA 31 N -1.47 0.18 -0.78 6.16 0.00 -1.94 -0.09 119.26 121.31 1wxs h ALA 31 Ca -0.10 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1wxs h ALA 31 Cb 0.74 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1wxs h ALA 31 CO 0.16 -0.53 0.44 0.28 0.00 0.00 0.00 179.25 179.60 1wxs h VAL 32 N -0.09 0.90 0.34 0.00 2.07 -0.66 0.38 116.25 119.19 1wxs h VAL 32 Ca 0.22 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1wxs h VAL 32 Cb 0.43 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1wxs h VAL 32 CO -0.53 0.13 -0.16 0.25 0.02 0.00 0.00 177.57 177.28 1wxs h LEU 33 N 0.74 -0.39 -1.03 2.57 5.85 0.38 -0.34 115.31 123.09 1wxs h LEU 33 Ca 0.38 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.25 1wxs h LEU 33 Cb 0.35 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1wxs h LEU 33 CO -0.25 -0.27 0.63 0.07 -0.34 0.00 0.00 178.44 178.27 1wxs h LYS 34 N -0.46 0.91 0.27 1.25 2.10 -1.17 -0.82 116.57 118.66 1wxs h LYS 34 Ca -0.05 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 1wxs h LYS 34 Cb 0.35 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1wxs h LYS 34 CO 0.08 0.60 -0.18 0.35 -2.00 0.00 0.00 179.45 178.30 1wxs h PHE 35 N 0.93 -0.48 -0.10 0.07 3.57 -0.14 0.27 116.94 121.07 1wxs h PHE 35 Ca 0.51 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.05 1wxs h PHE 35 Cb 0.58 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1wxs h PHE 35 CO -0.00 -0.26 -0.37 0.00 -2.23 0.00 0.00 178.31 175.44 1wxs h ALA 36 N -1.61 -0.50 -0.42 2.41 0.00 -0.84 0.23 119.26 118.53 1wxs h ALA 36 Ca -0.04 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wxs h ALA 36 Cb 0.35 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1wxs h ALA 36 CO 0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 179.25 178.29 1wxs h ALA 37 N 0.23 0.26 -0.34 0.00 0.00 -1.17 0.01 119.26 118.24 1wxs h ALA 37 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1wxs h ALA 37 Cb 0.59 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1wxs h ALA 37 CO -0.35 -0.46 0.13 1.49 0.00 0.00 0.00 179.25 180.05 1wxs h GLU 38 N -0.02 0.48 -0.30 0.00 4.81 0.19 0.22 114.58 119.96 1wxs h GLU 38 Ca 0.20 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1wxs h GLU 38 Cb 0.33 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1wxs h GLU 38 CO -0.44 0.41 0.32 1.49 -0.73 0.00 0.00 179.01 180.06 1wxs h GLU 39 N 0.48 0.00 -0.37 1.92 4.22 0.15 0.26 114.58 121.24 1wxs h GLU 39 Ca 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.43 1wxs h GLU 39 Cb 0.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1wxs h GLU 39 CO -0.01 0.00 0.01 1.19 -2.18 0.00 0.00 179.01 178.02 1wxs n PHE 40 N -3.79 1.19 -2.90 0.92 3.72 -0.62 -4.92 117.46 111.05 1wxs n PHE 40 Ca 0.05 -1.31 -0.16 0.00 -0.05 0.00 0.00 57.45 55.98 1wxs n PHE 40 Cb 0.48 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1wxs n PHE 40 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1wxs n LYS 41 N -0.85 -3.99 -5.18 -1.08 4.81 0.90 -5.01 118.16 107.76 1wxs n LYS 41 Ca 0.30 0.64 -0.31 0.00 -0.87 0.00 0.00 58.31 58.07 1wxs n LYS 41 Cb 1.03 -4.97 -0.17 0.00 0.02 0.00 0.00 35.03 30.94 1wxs n LYS 41 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wxs s VAL 42 N -3.05 1.98 1.19 3.15 1.01 0.68 -4.95 120.40 120.41 1wxs s VAL 42 Ca 0.26 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1wxs s VAL 42 Cb -0.11 -1.71 0.28 0.00 0.00 0.00 0.00 36.38 34.84 1wxs s VAL 42 CO 0.32 0.54 1.11 -2.16 0.00 0.00 0.00 175.10 174.92 1wxs s PRO 43 N 0.26 -1.12 -0.05 2.72 0.04 -1.26 -0.66 135.00 134.93 1wxs s PRO 43 Ca -0.16 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 60.85 1wxs s PRO 43 Cb -0.17 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1wxs s PRO 43 CO 0.08 -3.65 -0.01 0.00 0.04 0.00 0.00 177.00 173.46 1wxs n ALA 44 N -4.72 1.89 -0.04 8.56 0.00 -1.24 -4.03 120.51 120.94 1wxs n ALA 44 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1wxs n ALA 44 Cb 0.59 0.24 -0.11 0.00 0.00 0.00 0.00 19.45 20.18 1wxs n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxs h ALA 45 N 0.13 -0.01 0.24 0.00 0.00 -2.01 -3.37 119.26 114.24 1wxs h ALA 45 Ca -0.12 -0.38 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 1wxs h ALA 45 Cb 1.23 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1wxs h ALA 45 CO -0.00 -0.11 -1.53 1.15 0.00 0.00 0.00 179.25 178.75 1wxs h THR 46 N -0.81 1.22 -1.62 0.00 2.02 -1.94 -3.47 112.91 108.31 1wxs h THR 46 Ca -0.00 -2.68 -0.57 0.00 0.77 0.00 0.00 66.41 63.93 1wxs h THR 46 Cb 0.77 2.99 -0.09 0.00 -1.74 0.00 0.00 68.15 70.08 1wxs h THR 46 CO 0.00 0.82 -0.51 -0.55 0.37 0.00 0.00 175.52 175.65 1wxs s SER 47 N -7.52 4.37 0.09 4.18 0.15 -1.26 -3.73 113.70 109.99 1wxs s SER 47 Ca -0.10 -1.09 -0.26 0.00 0.70 0.00 0.00 55.95 55.20 1wxs s SER 47 Cb 0.04 -0.48 0.09 0.00 -1.71 0.00 0.00 66.02 63.96 1wxs s SER 47 CO 0.93 -0.52 1.14 0.00 1.20 0.00 0.00 173.24 175.99 1wxs s ALA 48 N -2.60 -1.95 0.22 5.45 0.00 -1.14 -3.61 121.76 118.12 1wxs s ALA 48 Ca 0.40 -0.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 1wxs s ALA 48 Cb 0.04 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 1wxs s ALA 48 CO 0.22 -1.08 0.78 0.96 0.00 0.00 0.00 175.76 176.63 1wxs s ILE 49 N -2.30 4.44 -0.05 0.00 -0.00 -1.26 -1.44 121.20 120.58 1wxs s ILE 49 Ca 0.22 1.53 -0.02 0.00 -0.00 0.00 0.00 60.65 62.37 1wxs s ILE 49 Cb -0.01 -3.99 0.03 0.00 -0.00 0.00 0.00 42.46 38.50 1wxs s ILE 49 CO 0.02 0.31 0.12 0.27 -0.00 0.00 0.00 174.94 175.66 1wxs s ILE 50 N -1.40 -0.05 1.14 8.37 -5.25 0.91 -4.42 121.20 120.51 1wxs s ILE 50 Ca 0.41 0.18 -0.18 0.00 -0.99 0.00 0.00 60.65 60.07 1wxs s ILE 50 Cb -0.19 -0.20 0.16 0.00 2.95 0.00 0.00 42.46 45.17 1wxs s ILE 50 CO 0.23 0.07 0.21 0.35 -1.79 0.00 0.00 174.94 174.02 1wxs n THR 51 N 4.12 0.00 -0.35 8.37 -2.24 -1.20 -3.72 114.28 119.27 1wxs n THR 51 Ca -0.26 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1wxs n THR 51 Cb 0.52 -0.66 0.29 0.00 -2.10 0.00 0.00 70.33 68.38 1wxs n THR 51 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1wxs h ASN 52 N -2.34 0.77 1.38 3.42 -0.73 -1.95 0.18 115.58 116.31 1wxs h ASN 52 Ca -0.51 0.09 -0.11 0.00 1.87 0.00 0.00 56.30 57.64 1wxs h ASN 52 Cb 1.29 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.81 1wxs h ASN 52 CO 0.37 0.30 -0.50 0.44 -0.37 0.00 0.00 177.43 177.66 1wxs h ASP 53 N 0.78 0.00 0.00 1.15 5.19 -1.99 -3.47 116.42 118.08 1wxs h ASP 53 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1wxs h ASP 53 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1wxs h ASP 53 CO -0.36 0.50 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 1wxs n GLY 54 N 1.08 1.33 3.76 2.75 0.00 0.63 -5.09 105.19 109.66 1wxs n GLY 54 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1wxs n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxs s ILE 55 N -2.00 2.63 0.50 -0.61 -1.09 -1.26 -4.69 121.20 114.68 1wxs s ILE 55 Ca 0.00 0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 58.74 1wxs s ILE 55 Cb 0.00 -3.29 -0.07 0.00 -1.58 0.00 0.00 42.46 37.51 1wxs s ILE 55 CO 0.00 0.04 1.11 -0.83 -1.23 0.00 0.00 174.94 174.03 1wxs s GLY 56 N -0.92 2.65 0.32 6.18 0.00 -1.26 -3.24 107.32 111.05 1wxs s GLY 56 Ca 0.61 0.79 -0.22 0.00 0.00 0.00 0.00 44.72 45.90 1wxs s GLY 56 CO 0.45 1.17 0.87 -1.50 0.00 0.00 0.00 173.10 174.09 1wxs s ILE 57 N -1.76 4.38 -0.74 0.90 1.10 -1.26 -4.97 121.20 118.85 1wxs s ILE 57 Ca 0.68 1.54 -0.10 0.00 -0.51 0.00 0.00 60.65 62.27 1wxs s ILE 57 Cb -0.23 -3.85 0.19 0.00 0.15 0.00 0.00 42.46 38.72 1wxs s ILE 57 CO 0.27 0.03 0.63 0.20 -2.11 0.00 0.00 174.94 173.96 1wxs s ASN 58 N -1.81 6.14 0.02 4.50 -0.87 -1.26 -4.89 114.94 116.77 1wxs s ASN 58 Ca 0.51 -2.72 0.15 0.00 -1.57 0.00 0.00 52.86 49.23 1wxs s ASN 58 Cb -0.15 -2.07 0.64 0.00 -0.02 0.00 0.00 41.25 39.65 1wxs s ASN 58 CO 0.20 -0.50 1.48 -0.81 -2.57 0.00 0.00 177.10 174.90 1wxs n PRO 59 N 3.83 0.02 0.06 -0.60 -0.04 -1.26 -2.68 135.00 134.32 1wxs n PRO 59 Ca 0.10 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1wxs n PRO 59 Cb 0.43 -1.53 0.33 0.00 -0.04 0.00 0.00 33.50 32.70 1wxs n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxs n ALA 60 N -1.52 1.41 -3.98 0.55 0.00 -1.26 -4.72 120.51 110.99 1wxs n ALA 60 Ca 0.03 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1wxs n ALA 60 Cb 0.17 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1wxs n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wxs n GLN 61 N -1.82 0.85 -2.31 0.00 6.02 -1.09 -5.14 117.38 113.89 1wxs n GLN 61 Ca 0.02 -2.90 -0.27 0.00 -0.01 0.00 0.00 57.00 53.83 1wxs n GLN 61 Cb 0.13 0.41 0.04 0.00 1.02 0.00 0.00 30.24 31.83 1wxs n GLN 61 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wxs s THR 62 N -2.32 3.51 0.09 5.09 2.01 -1.26 -4.53 115.64 118.23 1wxs s THR 62 Ca 0.21 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1wxs s THR 62 Cb -0.02 -3.42 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1wxs s THR 62 CO 0.13 -0.45 1.44 0.00 -0.69 0.00 0.00 174.62 175.05 1wxs h ALA 63 N -0.28 -0.85 -0.55 7.40 0.00 -1.40 0.27 119.26 123.85 1wxs h ALA 63 Ca -0.45 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wxs h ALA 63 Cb 1.26 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 1wxs h ALA 63 CO 0.61 -0.98 0.07 0.78 0.00 0.00 0.00 179.25 179.73 1wxs h GLY 64 N -0.52 0.64 0.97 0.00 0.00 -1.52 0.23 103.07 102.88 1wxs h GLY 64 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1wxs h GLY 64 CO -0.30 -0.12 0.65 3.43 0.00 0.00 0.00 176.54 180.20 1wxs h ASN 65 N 0.19 1.12 0.12 0.19 4.21 -1.65 -0.91 115.58 118.84 1wxs h ASN 65 Ca 0.28 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.68 1wxs h ASN 65 Cb 0.42 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1wxs h ASN 65 CO -0.40 0.80 -0.31 0.58 -1.29 0.00 0.00 177.43 176.80 1wxs h VAL 66 N 1.31 1.27 -0.25 2.81 2.07 0.87 0.19 116.25 124.53 1wxs h VAL 66 Ca 0.37 -1.29 -0.20 0.00 0.82 0.00 0.00 66.70 66.40 1wxs h VAL 66 Cb -0.11 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1wxs h VAL 66 CO -0.09 0.39 -0.62 0.15 0.02 0.00 0.00 177.57 177.42 1wxs h PHE 67 N 0.26 1.11 0.00 1.57 3.57 -0.11 -3.04 116.94 120.30 1wxs h PHE 67 Ca 0.04 -0.42 -0.18 0.00 3.53 0.00 0.00 57.97 60.93 1wxs h PHE 67 Cb 0.68 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1wxs h PHE 67 CO 0.01 1.26 -0.87 1.25 -2.23 0.00 0.00 178.31 177.73 1wxs h LEU 68 N 0.64 0.00 -1.43 0.59 5.85 -1.04 0.25 115.31 120.17 1wxs h LEU 68 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1wxs h LEU 68 Cb 1.24 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1wxs h LEU 68 CO 0.14 0.87 0.03 0.50 -0.34 0.00 0.00 178.44 179.63 1wxs h LYS 69 N 0.00 0.40 0.00 1.25 1.63 -0.60 -3.31 116.57 115.94 1wxs h LYS 69 Ca -0.01 -0.07 -0.35 0.00 -0.85 0.00 0.00 60.65 59.38 1wxs h LYS 69 Cb 1.61 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.12 1wxs h LYS 69 CO 0.11 0.41 -2.14 0.72 -3.45 0.00 0.00 179.45 175.10 1wxs n HIS 70 N -4.34 0.00 0.00 1.91 8.25 -1.15 -5.08 115.22 114.80 1wxs n HIS 70 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1wxs n HIS 70 Cb 0.19 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.49 1wxs n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wxs n GLY 71 N 1.49 -0.90 0.18 -1.41 0.00 0.88 -4.97 105.19 100.45 1wxs n GLY 71 Ca -0.43 0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wxs n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxs n SER 72 N 0.00 0.00 -4.56 1.61 7.64 -1.25 -4.25 113.62 112.81 1wxs n SER 72 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1wxs n SER 72 Cb 0.00 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1wxs n SER 72 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1wxs s GLU 73 N -1.09 3.19 -0.28 1.43 1.03 -1.26 -1.04 118.70 120.67 1wxs s GLU 73 Ca 0.00 0.25 0.01 0.00 0.03 0.00 0.00 54.97 55.26 1wxs s GLU 73 Cb 0.00 -4.17 0.06 0.00 -0.80 0.00 0.00 34.13 29.22 1wxs s GLU 73 CO 0.00 -2.10 -0.07 -0.51 -1.33 0.00 0.00 175.26 171.26 1wxs s LEU 74 N 6.31 3.66 -0.11 1.83 1.02 -0.17 -4.49 118.68 126.73 1wxs s LEU 74 Ca 0.48 -1.39 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1wxs s LEU 74 Cb -0.10 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1wxs s LEU 74 CO 0.21 -0.22 0.05 0.00 0.02 0.00 0.00 176.35 176.41 1wxs s ARG 75 N 1.15 3.24 -0.13 1.70 1.70 -1.24 -2.45 118.95 122.91 1wxs s ARG 75 Ca -0.07 -0.31 -0.05 0.00 -0.47 0.00 0.00 55.73 54.84 1wxs s ARG 75 Cb -0.20 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1wxs s ARG 75 CO -0.04 0.68 0.04 0.42 -1.08 0.00 0.00 175.30 175.32 1wxs s ILE 76 N -0.80 4.60 0.08 4.99 1.09 -0.26 -0.06 121.20 130.84 1wxs s ILE 76 Ca 0.13 -0.12 -0.26 0.00 -1.10 0.00 0.00 60.65 59.30 1wxs s ILE 76 Cb -0.12 -3.00 0.08 0.00 -1.06 0.00 0.00 42.46 38.37 1wxs s ILE 76 CO 0.03 0.55 0.71 0.27 -0.10 0.00 0.00 174.94 176.40 1wxs s ILE 77 N -0.39 0.00 0.12 2.92 -4.36 -0.52 -4.59 121.20 114.39 1wxs s ILE 77 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 60.65 60.17 1wxs s ILE 77 Cb -0.12 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.51 1wxs s ILE 77 CO 0.02 0.00 1.35 -2.16 0.24 0.00 0.00 174.94 174.39 1wxs s PRO 78 N -3.21 4.35 -0.15 0.37 0.04 -1.26 -2.89 135.00 132.25 1wxs s PRO 78 Ca 0.01 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1wxs s PRO 78 Cb -0.01 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.15 1wxs s PRO 78 CO -0.09 -0.38 -0.06 0.54 0.04 0.00 0.00 177.00 177.05 1wxs n ARG 79 N 3.69 1.05 -4.74 4.56 5.12 -1.24 -5.00 116.66 120.10 1wxs n ARG 79 Ca 0.10 0.05 -0.30 0.00 -1.93 0.00 0.00 57.85 55.77 1wxs n ARG 79 Cb 0.43 -1.33 -0.14 0.00 -1.16 0.00 0.00 32.46 30.26 1wxs n ARG 79 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wxs s ASP 80 N -5.17 3.28 -0.31 0.55 -1.08 -1.26 -4.90 116.67 107.78 1wxs s ASP 80 Ca -0.15 -0.62 -0.04 0.00 -0.52 0.00 0.00 52.55 51.21 1wxs s ASP 80 Cb 0.05 -0.30 0.01 0.00 -1.46 0.00 0.00 42.92 41.21 1wxs s ASP 80 CO 0.45 0.24 0.14 -1.14 0.52 0.00 0.00 175.17 175.37 1wxs n ARG 81 N 1.50 -3.00 -4.33 4.34 0.63 -1.26 -4.90 116.66 109.65 1wxs n ARG 81 Ca -0.17 2.48 -0.24 0.00 -0.92 0.00 0.00 57.85 59.00 1wxs n ARG 81 Cb 0.52 -5.03 -0.08 0.00 0.45 0.00 0.00 32.46 28.32 1wxs n ARG 81 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1wxs s VAL 82 N -1.78 3.21 -2.05 5.15 -7.23 -1.26 -5.05 120.40 111.39 1wxs s VAL 82 Ca 0.06 -1.96 0.32 0.00 -1.81 0.00 0.00 61.98 58.58 1wxs s VAL 82 Cb -0.02 -2.69 0.88 0.00 0.56 0.00 0.00 36.38 35.11 1wxs s VAL 82 CO 0.72 -0.33 2.18 0.61 -0.31 0.00 0.00 175.10 177.98