#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 -1.89 -2.86 1.61 -0.04 -1.26 -4.91 135.00 125.64 1wxs n PRO -3 Ca 0.00 -0.75 -0.44 0.00 -0.04 0.00 0.00 63.50 62.27 1wxs n PRO -3 Cb 0.00 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1wxs n PRO -3 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wxs n LEU -2 N 0.00 5.18 -4.72 1.53 7.99 -1.26 -5.01 117.00 120.72 1wxs n LEU -2 Ca 0.06 -4.35 -0.33 0.00 -0.01 0.00 0.00 56.01 51.38 1wxs n LEU -2 Cb 0.25 -1.65 0.11 0.00 -0.11 0.00 0.00 43.42 42.02 1wxs n LEU -2 CO 0.17 0.62 0.77 -0.83 -1.51 0.00 0.00 177.39 176.61 1wxs s GLY -1 N 3.09 2.18 -0.44 -0.72 0.00 -1.26 -5.00 107.32 105.17 1wxs s GLY -1 Ca 0.45 0.79 0.05 0.00 0.00 0.00 0.00 44.72 46.01 1wxs s GLY -1 CO 0.02 1.19 1.09 1.44 0.00 0.00 0.00 173.10 176.85 1wxs n SER 0 N -3.05 -2.31 0.02 1.64 7.64 -1.26 -5.02 113.62 111.28 1wxs n SER 0 Ca 0.13 -3.25 -0.02 0.00 1.01 0.00 0.00 58.87 56.74 1wxs n SER 0 Cb 0.51 1.74 -0.01 0.00 -1.01 0.00 0.00 64.21 65.44 1wxs n SER 0 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1wxs n MET 1 N 0.83 0.07 -2.73 1.43 1.56 -1.26 -5.01 117.12 112.02 1wxs n MET 1 Ca 0.05 0.03 -0.07 0.00 -0.27 0.00 0.00 57.70 57.44 1wxs n MET 1 Cb 0.69 -0.62 0.06 0.00 2.15 0.00 0.00 33.22 35.49 1wxs n MET 1 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1wxs n SER 2 N -3.49 -2.53 -4.69 6.12 7.64 -1.26 -5.10 113.62 110.32 1wxs n SER 2 Ca -0.03 -3.00 -0.32 0.00 1.01 0.00 0.00 58.87 56.53 1wxs n SER 2 Cb 0.21 1.61 0.15 0.00 -1.01 0.00 0.00 64.21 65.17 1wxs n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wxs s LYS 3 N 0.55 1.24 0.33 1.43 1.02 -1.26 -4.13 119.74 118.91 1wxs s LYS 3 Ca 0.30 1.57 -0.04 0.00 0.02 0.00 0.00 55.97 57.82 1wxs s LYS 3 Cb 0.23 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1wxs s LYS 3 CO -0.20 -2.48 0.50 1.33 -0.92 0.00 0.00 175.35 173.59 1wxs n VAL 4 N -3.98 0.00 -2.28 3.17 0.24 -0.86 -4.90 118.33 109.73 1wxs n VAL 4 Ca 0.12 -1.46 -0.27 0.00 -2.04 0.00 0.00 64.34 60.69 1wxs n VAL 4 Cb 0.52 0.98 0.04 0.00 -1.47 0.00 0.00 33.84 33.91 1wxs n VAL 4 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wxs s SER 5 N -2.95 5.39 -0.28 -1.34 1.04 -1.26 -1.37 113.70 112.93 1wxs s SER 5 Ca 0.24 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.37 1wxs s SER 5 Cb -0.02 -1.60 0.17 0.00 0.10 0.00 0.00 66.02 64.68 1wxs s SER 5 CO 0.17 -1.23 0.52 0.12 0.98 0.00 0.00 173.24 173.81 1wxs s PHE 6 N -3.10 -1.34 -0.24 5.02 5.36 0.96 -4.63 117.98 120.01 1wxs s PHE 6 Ca 0.56 1.38 -0.21 0.00 -0.96 0.00 0.00 56.93 57.70 1wxs s PHE 6 Cb -0.11 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 1wxs s PHE 6 CO 0.46 -0.83 0.65 0.15 -1.46 0.00 0.00 175.22 174.18 1wxs s LYS 7 N 2.75 4.15 -0.24 10.12 1.02 -0.07 -0.71 119.74 136.76 1wxs s LYS 7 Ca 0.18 0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1wxs s LYS 7 Cb -0.15 -3.63 0.06 0.00 -0.52 0.00 0.00 37.83 33.59 1wxs s LYS 7 CO -0.20 -0.37 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.28 1wxs s ILE 8 N 2.36 1.84 -0.05 2.17 2.07 0.69 -1.03 121.20 129.25 1wxs s ILE 8 Ca 0.28 -1.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.12 1wxs s ILE 8 Cb -0.16 -2.02 -0.03 0.00 0.13 0.00 0.00 42.46 40.38 1wxs s ILE 8 CO 0.09 -0.05 -0.05 0.42 -1.91 0.00 0.00 174.94 173.43 1wxs s THR 9 N 1.26 3.82 0.00 4.00 -4.23 -1.05 -3.56 115.64 115.88 1wxs s THR 9 Ca -0.07 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1wxs s THR 9 Cb -0.19 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1wxs s THR 9 CO -0.06 0.54 0.17 0.00 -0.54 0.00 0.00 174.62 174.73 1wxs n LEU 10 N 2.00 0.34 0.00 4.79 -0.00 -1.26 -0.69 117.00 122.19 1wxs n LEU 10 Ca -0.17 -0.64 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 1wxs n LEU 10 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1wxs n LEU 10 CO 0.28 0.09 0.00 0.35 -0.00 0.00 0.00 177.39 178.11 1wxs n THR 11 N -0.60 0.00 -3.78 1.47 -2.24 -1.26 -4.87 114.28 103.01 1wxs n THR 11 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1wxs n THR 11 Cb 0.01 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1wxs n THR 11 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wxs n SER 12 N -0.85 -1.87 -4.36 3.42 2.88 -1.26 -4.90 113.62 106.69 1wxs n SER 12 Ca 0.00 -0.93 -0.33 0.00 -1.33 0.00 0.00 58.87 56.28 1wxs n SER 12 Cb 0.00 -3.57 0.11 0.00 -0.75 0.00 0.00 64.21 60.00 1wxs n SER 12 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wxs n ASP 13 N -2.96 -2.59 -0.08 -3.46 9.92 -1.26 -4.90 116.55 111.23 1wxs n ASP 13 Ca -0.25 0.29 -0.13 0.00 -0.53 0.00 0.00 54.79 54.16 1wxs n ASP 13 Cb 0.66 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.95 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 -1.52 0.56 0.00 -0.24 0.13 -1.95 -3.36 132.00 125.62 1wxs h PRO 14 Ca -0.44 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1wxs h PRO 14 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wxs h PRO 14 CO 0.33 0.89 0.00 0.54 -0.23 0.00 0.00 178.00 179.53 1wxs n ARG 15 N -4.38 0.00 -3.06 0.86 1.74 -1.26 -4.74 116.66 105.82 1wxs n ARG 15 Ca -0.05 0.44 -0.25 0.00 -0.77 0.00 0.00 57.85 57.22 1wxs n ARG 15 Cb 0.43 -1.22 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 -2.96 3.82 0.00 0.55 1.02 -1.26 -5.10 118.68 114.75 1wxs s LEU 16 Ca 0.00 0.60 -0.02 0.00 0.02 0.00 0.00 54.13 54.73 1wxs s LEU 16 Cb 0.00 -3.50 0.02 0.00 0.02 0.00 0.00 46.19 42.74 1wxs s LEU 16 CO 0.00 -0.45 0.09 -0.81 0.02 0.00 0.00 176.35 175.19 1wxs n PRO 17 N -2.00 -1.16 -2.37 1.29 -0.04 -1.26 -4.20 135.00 125.25 1wxs n PRO 17 Ca -0.02 -0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 1wxs n PRO 17 Cb 0.56 -0.13 0.14 0.00 -0.04 0.00 0.00 33.50 34.03 1wxs n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1wxs s TYR 18 N -1.16 1.40 -0.22 0.54 -0.85 -1.26 -4.59 117.35 111.21 1wxs s TYR 18 Ca 0.06 -0.13 -0.09 0.00 -0.52 0.00 0.00 57.07 56.39 1wxs s TYR 18 Cb -0.01 -3.40 -0.04 0.00 0.38 0.00 0.00 41.96 38.89 1wxs s TYR 18 CO 0.04 -2.13 0.10 0.15 -1.52 0.00 0.00 175.55 172.19 1wxs s LYS 19 N -5.43 3.94 -0.04 -3.49 3.01 -1.23 -5.06 119.74 111.44 1wxs s LYS 19 Ca 0.70 -0.34 -0.01 0.00 -1.01 0.00 0.00 55.97 55.31 1wxs s LYS 19 Cb -0.04 -3.36 0.03 0.00 -1.01 0.00 0.00 37.83 33.45 1wxs s LYS 19 CO 0.48 0.09 0.02 0.54 0.51 0.00 0.00 175.35 176.99 1wxs s VAL 20 N 0.90 0.12 0.38 3.17 0.11 -1.26 -0.22 120.40 123.60 1wxs s VAL 20 Ca 0.05 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1wxs s VAL 20 Cb -0.13 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1wxs s VAL 20 CO 0.03 0.17 0.11 -1.48 -3.33 0.00 0.00 175.10 170.60 1wxs s LEU 21 N 1.53 2.02 0.01 2.54 2.34 0.11 -4.95 118.68 122.28 1wxs s LEU 21 Ca -0.03 -1.59 -0.01 0.00 0.06 0.00 0.00 54.13 52.57 1wxs s LEU 21 Cb -0.13 -0.17 -0.04 0.00 -0.56 0.00 0.00 46.19 45.29 1wxs s LEU 21 CO -0.03 -0.84 0.14 -0.94 -1.06 0.00 0.00 176.35 173.62 1wxs s SER 22 N -3.56 6.04 -0.11 1.48 1.04 -1.26 -0.03 113.70 117.29 1wxs s SER 22 Ca 0.27 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.86 1wxs s SER 22 Cb 0.04 -1.81 0.04 0.00 0.10 0.00 0.00 66.02 64.39 1wxs s SER 22 CO 0.15 0.24 0.28 -0.69 0.98 0.00 0.00 173.24 174.20 1wxs s VAL 23 N -1.32 -0.02 1.01 5.02 1.01 -0.47 -4.86 120.40 120.78 1wxs s VAL 23 Ca 0.27 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1wxs s VAL 23 Cb -0.12 -0.42 0.20 0.00 0.00 0.00 0.00 36.38 36.03 1wxs s VAL 23 CO 0.19 0.04 1.09 -2.16 0.00 0.00 0.00 175.10 174.26 1wxs s PRO 24 N 0.92 0.31 -0.05 2.72 0.04 -1.26 -2.02 135.00 135.66 1wxs s PRO 24 Ca -0.06 0.50 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 1wxs s PRO 24 Cb -0.07 -1.73 -0.30 0.00 0.04 0.00 0.00 34.50 32.44 1wxs s PRO 24 CO -0.06 -2.81 0.64 1.49 0.04 0.00 0.00 177.00 176.30 1wxs h GLU 25 N -1.95 0.36 -4.06 4.56 4.81 -1.91 -3.35 114.58 113.05 1wxs h GLU 25 Ca -0.55 -0.62 -0.74 0.00 -0.13 0.00 0.00 59.36 57.32 1wxs h GLU 25 Cb 1.33 0.23 -0.14 0.00 0.63 0.00 0.00 28.75 30.80 1wxs h GLU 25 CO 0.58 1.28 1.99 0.45 -0.73 0.00 0.00 179.01 182.57 1wxs n SER 26 N -3.56 4.97 -3.49 1.04 2.88 -1.26 -2.31 113.62 111.89 1wxs n SER 26 Ca -0.25 -3.03 -0.16 0.00 -1.33 0.00 0.00 58.87 54.11 1wxs n SER 26 Cb 1.07 -1.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1wxs n SER 26 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wxs s THR 27 N 1.29 0.00 -0.27 2.46 -1.32 -1.26 -4.59 115.64 111.96 1wxs s THR 27 Ca 0.42 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.58 1wxs s THR 27 Cb 0.06 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1wxs s THR 27 CO -0.00 -0.02 1.65 -2.16 -2.21 0.00 0.00 174.62 171.88 1wxs s PRO 28 N -2.18 3.64 0.05 7.08 0.04 -1.26 -0.69 135.00 141.67 1wxs s PRO 28 Ca -0.06 1.52 -0.33 0.00 0.04 0.00 0.00 61.00 62.17 1wxs s PRO 28 Cb -0.00 -4.08 -0.18 0.00 0.04 0.00 0.00 34.50 30.27 1wxs s PRO 28 CO 0.01 -1.48 1.43 0.35 0.04 0.00 0.00 177.00 177.35 1wxs h PHE 29 N 11.33 -1.10 -0.75 0.56 3.57 -1.81 -1.36 116.94 127.38 1wxs h PHE 29 Ca -0.33 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.31 1wxs h PHE 29 Cb 1.15 0.36 -0.12 0.00 2.79 0.00 0.00 35.95 40.14 1wxs h PHE 29 CO 0.93 -0.68 0.15 0.00 -2.23 0.00 0.00 178.31 176.48 1wxs h THR 30 N -1.24 0.46 0.47 4.41 1.03 -1.79 0.20 112.91 116.45 1wxs h THR 30 Ca -0.12 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1wxs h THR 30 Cb 0.91 0.21 -0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1wxs h THR 30 CO 0.20 0.04 -0.27 0.00 -0.01 0.00 0.00 175.52 175.48 1wxs h ALA 31 N 1.65 -1.13 -0.91 0.00 0.00 -1.87 -1.51 119.26 115.48 1wxs h ALA 31 Ca 0.43 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.41 1wxs h ALA 31 Cb 0.76 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1wxs h ALA 31 CO -0.56 -1.10 0.61 0.28 0.00 0.00 0.00 179.25 178.49 1wxs h VAL 32 N -0.69 0.64 0.22 0.00 2.07 -0.80 0.24 116.25 117.93 1wxs h VAL 32 Ca -0.06 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1wxs h VAL 32 Cb 0.55 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1wxs h VAL 32 CO 0.08 0.06 -0.11 0.25 0.02 0.00 0.00 177.57 177.87 1wxs h LEU 33 N 0.31 -0.25 -0.83 2.57 7.12 -0.27 -1.37 115.31 122.60 1wxs h LEU 33 Ca 0.47 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.54 1wxs h LEU 33 Cb 1.32 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 41.46 1wxs h LEU 33 CO -0.15 -0.17 0.52 0.11 -0.13 0.00 0.00 178.44 178.62 1wxs h LYS 34 N -0.32 0.95 0.16 1.25 1.57 -0.93 0.31 116.57 119.55 1wxs h LYS 34 Ca -0.03 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1wxs h LYS 34 Cb 0.23 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1wxs h LYS 34 CO 0.05 0.63 -0.51 0.35 -0.57 0.00 0.00 179.45 179.40 1wxs h PHE 35 N 0.97 -1.46 -0.37 -1.35 3.57 -0.54 -0.02 116.94 117.74 1wxs h PHE 35 Ca 0.35 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 1wxs h PHE 35 Cb 0.10 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1wxs h PHE 35 CO -0.03 -0.59 -0.06 0.00 -2.23 0.00 0.00 178.31 175.40 1wxs h ALA 36 N -0.50 0.50 -0.94 2.41 0.00 -1.03 -2.90 119.26 116.81 1wxs h ALA 36 Ca -0.01 -0.29 0.23 0.00 0.00 0.00 0.00 54.91 54.85 1wxs h ALA 36 Cb 0.76 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1wxs h ALA 36 CO -0.26 0.33 0.63 0.00 0.00 0.00 0.00 179.25 179.95 1wxs h ALA 37 N 0.84 2.38 -0.66 0.00 0.00 -0.08 0.24 119.26 121.98 1wxs h ALA 37 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1wxs h ALA 37 Cb 0.55 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1wxs h ALA 37 CO 0.03 -0.68 0.44 1.49 0.00 0.00 0.00 179.25 180.53 1wxs h GLU 38 N 0.30 0.43 0.00 0.00 4.81 -0.66 0.22 114.58 119.68 1wxs h GLU 38 Ca 0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1wxs h GLU 38 Cb 1.38 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1wxs h GLU 38 CO -0.16 0.29 -0.54 -1.91 -0.73 0.00 0.00 179.01 175.96 1wxs n GLU 39 N -4.47 0.03 -0.90 1.92 2.13 0.82 -3.86 120.64 116.30 1wxs n GLU 39 Ca 0.11 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.81 1wxs n GLU 39 Cb 0.41 -1.51 0.18 0.00 0.27 0.00 0.00 31.44 30.79 1wxs n GLU 39 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1wxs n PHE 40 N -1.55 2.22 -1.44 4.31 3.01 0.59 -4.84 117.46 119.75 1wxs n PHE 40 Ca 0.05 -1.31 -0.15 0.00 1.01 0.00 0.00 57.45 57.05 1wxs n PHE 40 Cb 0.34 -0.71 -0.07 0.00 -0.01 0.00 0.00 39.48 39.04 1wxs n PHE 40 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wxs n LYS 41 N -0.47 -1.22 -4.77 -1.08 4.01 -1.19 -4.93 118.16 108.50 1wxs n LYS 41 Ca 0.41 1.03 -0.33 0.00 -0.51 0.00 0.00 58.31 58.91 1wxs n LYS 41 Cb 1.32 -5.25 -0.15 0.00 -0.51 0.00 0.00 35.03 30.43 1wxs n LYS 41 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wxs s VAL 42 N -2.49 2.66 0.06 -0.18 1.01 -0.14 -4.94 120.40 116.37 1wxs s VAL 42 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1wxs s VAL 42 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1wxs s VAL 42 CO 0.00 0.53 0.05 -0.81 0.00 0.00 0.00 175.10 174.87 1wxs n PRO 43 N 3.75 -1.12 -0.01 2.72 -0.04 -1.26 -2.45 135.00 136.60 1wxs n PRO 43 Ca -0.19 -0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.15 1wxs n PRO 43 Cb 0.52 -0.08 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 1wxs n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxs n ALA 44 N -3.09 2.16 0.01 0.55 0.00 -1.26 -4.19 120.51 114.69 1wxs n ALA 44 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1wxs n ALA 44 Cb 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.40 0.03 -0.87 0.00 0.00 -2.01 -2.30 119.26 113.73 1wxs h ALA 45 Ca -0.01 0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.47 1wxs h ALA 45 Cb 0.42 0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.06 1wxs h ALA 45 CO -0.00 -0.51 0.60 0.25 0.00 0.00 0.00 179.25 179.59 1wxs n THR 46 N -5.17 3.00 -2.18 0.00 -2.24 -1.26 -4.96 114.28 101.46 1wxs n THR 46 Ca -0.05 -1.83 -0.26 0.00 -2.27 0.00 0.00 64.05 59.65 1wxs n THR 46 Cb 0.10 -0.66 0.07 0.00 -2.10 0.00 0.00 70.33 67.75 1wxs n THR 46 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wxs s SER 47 N -1.05 4.76 -0.30 3.42 1.04 -0.87 -3.49 113.70 117.22 1wxs s SER 47 Ca 0.51 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.29 1wxs s SER 47 Cb 0.42 -1.09 0.18 0.00 0.10 0.00 0.00 66.02 65.63 1wxs s SER 47 CO 0.08 -1.64 0.98 0.00 0.98 0.00 0.00 173.24 173.64 1wxs s ALA 48 N -3.28 -3.39 -0.07 5.32 0.00 -1.15 -4.61 121.76 114.58 1wxs s ALA 48 Ca 0.61 1.44 0.02 0.00 0.00 0.00 0.00 51.96 54.02 1wxs s ALA 48 Cb -0.11 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1wxs s ALA 48 CO 0.45 -1.58 -0.10 -1.50 0.00 0.00 0.00 175.76 173.03 1wxs s ILE 49 N 2.94 3.40 0.15 0.00 -1.16 -1.26 -1.24 121.20 124.02 1wxs s ILE 49 Ca 0.07 -0.59 -0.00 0.00 -0.51 0.00 0.00 60.65 59.62 1wxs s ILE 49 Cb -0.09 -2.38 -0.04 0.00 0.61 0.00 0.00 42.46 40.56 1wxs s ILE 49 CO -0.15 0.58 0.04 0.27 -2.81 0.00 0.00 174.94 172.88 1wxs s ILE 50 N -0.60 0.28 0.29 2.00 -4.36 0.45 -4.57 121.20 114.69 1wxs s ILE 50 Ca 0.09 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1wxs s ILE 50 Cb -0.11 -2.10 0.07 0.00 1.25 0.00 0.00 42.46 41.56 1wxs s ILE 50 CO 0.02 -0.43 0.26 0.35 0.24 0.00 0.00 174.94 175.37 1wxs n THR 51 N -0.16 0.00 -0.02 8.37 -2.24 -1.12 -0.08 114.28 119.03 1wxs n THR 51 Ca -0.05 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1wxs n THR 51 Cb 0.64 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 1wxs n THR 51 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wxs h ASN 52 N -1.41 0.02 0.75 3.42 7.08 -1.65 -1.98 115.58 121.82 1wxs h ASN 52 Ca -0.10 0.02 -0.06 0.00 -3.08 0.00 0.00 56.30 53.08 1wxs h ASN 52 Cb 0.30 0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 36.56 1wxs h ASN 52 CO 0.06 0.03 -0.30 -0.78 -2.08 0.00 0.00 177.43 174.37 1wxs h ASP 53 N 0.10 0.00 0.00 6.14 1.82 -1.92 -3.47 116.42 119.09 1wxs h ASP 53 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1wxs h ASP 53 Cb 0.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1wxs h ASP 53 CO -0.09 0.30 0.00 0.61 -1.61 0.00 0.00 179.24 178.45 1wxs n GLY 54 N 0.02 0.58 3.56 -0.78 0.00 -0.74 -5.13 105.19 102.71 1wxs n GLY 54 Ca -0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1wxs n GLY 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wxs s ILE 55 N -1.18 3.23 0.79 -0.61 2.07 -1.26 -4.81 121.20 119.43 1wxs s ILE 55 Ca 0.00 -1.41 -0.13 0.00 -1.41 0.00 0.00 60.65 57.70 1wxs s ILE 55 Cb 0.00 -2.53 0.07 0.00 0.13 0.00 0.00 42.46 40.13 1wxs s ILE 55 CO 0.00 0.05 1.17 -0.83 -1.91 0.00 0.00 174.94 173.43 1wxs s GLY 56 N -2.36 2.07 -0.08 1.50 0.00 -1.26 -2.77 107.32 104.43 1wxs s GLY 56 Ca 0.22 0.72 -0.03 0.00 0.00 0.00 0.00 44.72 45.63 1wxs s GLY 56 CO 0.13 1.13 0.08 -0.42 0.00 0.00 0.00 173.10 174.02 1wxs s ILE 57 N -2.29 -0.13 -0.50 0.90 1.01 -1.26 -4.89 121.20 114.04 1wxs s ILE 57 Ca 0.70 0.28 -0.35 0.00 0.00 0.00 0.00 60.65 61.29 1wxs s ILE 57 Cb -0.26 -0.27 -0.14 0.00 0.01 0.00 0.00 42.46 41.80 1wxs s ILE 57 CO 0.50 0.07 2.29 0.59 0.00 0.00 0.00 174.94 178.39 1wxs n ASN 58 N 5.30 1.61 0.00 3.58 4.13 -1.26 -4.76 115.26 123.86 1wxs n ASN 58 Ca -0.04 0.31 0.07 0.00 1.68 0.00 0.00 54.58 56.60 1wxs n ASN 58 Cb 0.50 -1.18 0.33 0.00 -1.54 0.00 0.00 39.78 37.88 1wxs n ASN 58 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1wxs n PRO 59 N 8.23 0.06 -2.52 3.52 -0.04 -1.26 -3.81 135.00 139.18 1wxs n PRO 59 Ca 0.47 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.74 1wxs n PRO 59 Cb 0.19 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.44 6.07 -3.00 0.55 0.00 -1.26 -3.85 120.51 117.58 1wxs n ALA 60 Ca 0.05 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 48.99 1wxs n ALA 60 Cb 0.15 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1wxs n ALA 60 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wxs n GLN 61 N 0.84 0.00 -4.12 0.00 -0.06 -1.25 -5.13 117.38 107.67 1wxs n GLN 61 Ca 0.47 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 55.25 1wxs n GLN 61 Cb 0.27 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.41 1wxs n GLN 61 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1wxs s THR 62 N -2.74 4.29 0.13 1.69 -4.23 -1.26 -3.14 115.64 110.37 1wxs s THR 62 Ca 0.00 -1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 1wxs s THR 62 Cb 0.00 -3.33 -0.07 0.00 1.34 0.00 0.00 72.50 70.44 1wxs s THR 62 CO 0.00 -0.34 1.58 0.00 -0.54 0.00 0.00 174.62 175.32 1wxs h ALA 63 N 1.52 -0.65 -0.55 3.99 0.00 -0.96 -0.95 119.26 121.66 1wxs h ALA 63 Ca -0.48 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wxs h ALA 63 Cb 1.24 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 1wxs h ALA 63 CO 0.61 -0.95 0.09 0.78 0.00 0.00 0.00 179.25 179.77 1wxs h GLY 64 N -0.54 0.66 0.60 0.00 0.00 -1.59 0.35 103.07 102.56 1wxs h GLY 64 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.46 1wxs h GLY 64 CO -0.36 -0.11 0.43 3.43 0.00 0.00 0.00 176.54 179.93 1wxs h ASN 65 N 0.22 0.63 1.66 0.19 4.21 -1.66 0.92 115.58 121.75 1wxs h ASN 65 Ca 0.28 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.83 1wxs h ASN 65 Cb 0.41 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1wxs h ASN 65 CO -0.39 0.39 -0.00 0.58 -1.29 0.00 0.00 177.43 176.72 1wxs h VAL 66 N 0.76 0.00 0.00 2.81 2.07 0.09 -1.64 116.25 120.35 1wxs h VAL 66 Ca 0.35 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1wxs h VAL 66 Cb 0.27 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1wxs h VAL 66 CO -0.22 0.00 -0.77 0.15 0.02 0.00 0.00 177.57 176.75 1wxs h PHE 67 N 0.00 0.00 0.11 1.57 3.04 0.15 -3.29 116.94 118.53 1wxs h PHE 67 Ca -0.00 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.59 1wxs h PHE 67 Cb 0.83 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1wxs h PHE 67 CO 0.00 0.60 -1.98 -0.11 -2.02 0.00 0.00 178.31 174.80 1wxs n LEU 68 N -3.17 2.47 -0.16 0.59 0.00 0.13 -1.67 117.00 115.18 1wxs n LEU 68 Ca -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 56.01 56.21 1wxs n LEU 68 Cb 0.79 -0.99 0.06 0.00 0.00 0.00 0.00 43.42 43.29 1wxs n LEU 68 CO 0.42 0.81 0.85 0.50 0.00 0.00 0.00 177.39 179.97 1wxs h LYS 69 N 0.06 0.12 0.00 1.96 1.63 -1.42 -3.37 116.57 115.55 1wxs h LYS 69 Ca -0.41 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1wxs h LYS 69 Cb 2.03 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.63 1wxs h LYS 69 CO 0.09 0.08 -0.43 0.72 -3.45 0.00 0.00 179.45 176.45 1wxs n HIS 70 N -5.23 0.00 0.00 1.91 8.25 -1.24 -5.11 115.22 113.80 1wxs n HIS 70 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1wxs n HIS 70 Cb 0.28 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 2.79 -0.46 1.03 -1.41 0.00 -0.67 -4.93 105.19 101.53 1wxs n GLY 71 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.46 -4.07 1.61 7.64 -1.26 -4.23 113.62 113.77 1wxs n SER 72 Ca 0.00 -1.96 -0.35 0.00 1.01 0.00 0.00 58.87 57.57 1wxs n SER 72 Cb 0.00 -0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 1wxs n SER 72 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wxs s GLU 73 N 0.00 2.06 0.38 1.43 2.12 -1.26 -0.89 118.70 122.54 1wxs s GLU 73 Ca 0.17 -2.13 0.08 0.00 0.36 0.00 0.00 54.97 53.45 1wxs s GLU 73 Cb 0.20 -3.52 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 1wxs s GLU 73 CO -0.09 -1.08 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.00 1wxs s LEU 74 N 0.58 2.79 -0.27 2.70 1.02 -0.19 -1.72 118.68 123.59 1wxs s LEU 74 Ca 0.12 -1.29 -0.13 0.00 0.02 0.00 0.00 54.13 52.85 1wxs s LEU 74 Cb -0.22 -0.93 0.09 0.00 0.02 0.00 0.00 46.19 45.16 1wxs s LEU 74 CO -0.04 -0.34 0.64 0.00 0.02 0.00 0.00 176.35 176.63 1wxs s ARG 75 N -3.67 0.62 -0.09 1.70 1.70 0.88 -2.52 118.95 117.57 1wxs s ARG 75 Ca 0.34 1.23 -0.03 0.00 -0.47 0.00 0.00 55.73 56.80 1wxs s ARG 75 Cb 0.06 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1wxs s ARG 75 CO 0.17 -0.17 0.03 0.42 -1.08 0.00 0.00 175.30 174.67 1wxs s ILE 76 N 1.99 4.57 0.09 4.99 1.01 0.14 -0.41 121.20 133.56 1wxs s ILE 76 Ca -0.09 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 1wxs s ILE 76 Cb -0.08 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.51 1wxs s ILE 76 CO -0.19 0.61 0.55 0.27 0.00 0.00 0.00 174.94 176.18 1wxs s ILE 77 N -0.92 0.02 -0.13 2.92 -4.36 -0.38 -4.25 121.20 114.10 1wxs s ILE 77 Ca 0.14 -0.18 -0.29 0.00 -0.26 0.00 0.00 60.65 60.05 1wxs s ILE 77 Cb -0.11 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 1wxs s ILE 77 CO 0.03 -0.10 1.56 -2.16 0.24 0.00 0.00 174.94 174.51 1wxs s PRO 78 N -2.95 4.06 0.27 0.37 0.04 -1.26 -2.95 135.00 132.59 1wxs s PRO 78 Ca -0.03 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wxs s PRO 78 Cb -0.00 -3.96 0.38 0.00 0.04 0.00 0.00 34.50 30.95 1wxs s PRO 78 CO -0.06 -0.97 1.83 -0.09 0.04 0.00 0.00 177.00 177.76 1wxs h ARG 79 N 9.66 0.89 0.00 4.56 1.12 -1.81 -3.38 114.38 125.42 1wxs h ARG 79 Ca -0.35 -0.17 -0.14 0.00 -1.11 0.00 0.00 59.98 58.22 1wxs h ARG 79 Cb 1.15 -0.14 -0.13 0.00 -0.01 0.00 0.00 29.97 30.85 1wxs h ARG 79 CO 0.97 0.77 -0.27 -3.47 -3.11 0.00 0.00 179.97 174.87 1wxs n ASP 80 N -4.28 -1.09 -1.15 -3.80 2.03 -1.26 -5.13 116.55 101.86 1wxs n ASP 80 Ca 0.05 -1.98 0.08 0.00 0.52 0.00 0.00 54.79 53.46 1wxs n ASP 80 Cb 0.21 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1wxs n ASP 80 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1wxs n ARG 81 N -0.49 -1.20 -4.86 -0.67 0.63 -1.26 -4.86 116.66 103.95 1wxs n ARG 81 Ca -0.23 0.79 -0.30 0.00 -0.92 0.00 0.00 57.85 57.18 1wxs n ARG 81 Cb 0.74 -1.46 -0.14 0.00 0.45 0.00 0.00 32.46 32.04 1wxs n ARG 81 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wxs s VAL 82 N -0.92 2.24 0.00 5.15 0.11 -1.26 -4.90 120.40 120.82 1wxs s VAL 82 Ca 0.00 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 1wxs s VAL 82 Cb 0.00 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1wxs s VAL 82 CO 0.00 0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.74