#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 -1.28 -3.65 1.61 -0.04 -1.26 -5.10 135.00 125.27 1wxs n PRO -3 Ca 0.00 -0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.21 1wxs n PRO -3 Cb 0.00 -0.22 -0.01 0.00 -0.04 0.00 0.00 33.50 33.23 1wxs n PRO -3 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wxs s LEU -2 N 0.00 -0.14 0.02 1.53 1.43 -1.26 -5.18 118.68 115.09 1wxs s LEU -2 Ca 0.09 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1wxs s LEU -2 Cb -0.01 1.70 -0.02 0.00 0.03 0.00 0.00 46.19 47.90 1wxs s LEU -2 CO 0.07 -0.52 -0.12 -0.83 0.23 0.00 0.00 176.35 175.18 1wxs s GLY -1 N -2.82 0.66 -0.28 -3.19 0.00 -1.26 -5.13 107.32 95.30 1wxs s GLY -1 Ca 0.12 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.92 1wxs s GLY -1 CO -0.02 -0.62 1.21 -0.45 0.00 0.00 0.00 173.10 173.21 1wxs s SER 0 N -0.79 -0.26 0.03 1.64 0.15 -1.26 -5.05 113.70 108.16 1wxs s SER 0 Ca 0.02 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 56.90 1wxs s SER 0 Cb -0.06 0.48 -0.14 0.00 -1.71 0.00 0.00 66.02 64.59 1wxs s SER 0 CO 0.00 -0.11 1.25 0.24 1.20 0.00 0.00 173.24 175.83 1wxs h MET 1 N 3.52 -0.85 -6.64 5.44 2.86 -2.00 -3.43 114.93 113.83 1wxs h MET 1 Ca -0.26 0.06 -0.51 0.00 -2.06 0.00 0.00 59.70 56.93 1wxs h MET 1 Cb 1.18 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1wxs h MET 1 CO 0.16 -0.57 0.39 -1.12 1.06 0.00 0.00 176.91 176.83 1wxs s SER 2 N -3.62 7.47 0.06 1.22 0.01 -1.26 -5.05 113.70 112.52 1wxs s SER 2 Ca -0.13 1.92 -0.06 0.00 1.31 0.00 0.00 55.95 59.00 1wxs s SER 2 Cb 0.01 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1wxs s SER 2 CO 0.39 -0.06 0.10 -0.54 0.41 0.00 0.00 173.24 173.54 1wxs s LYS 3 N -0.41 0.67 0.21 12.44 1.02 -1.26 -2.94 119.74 129.46 1wxs s LYS 3 Ca 0.46 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 1wxs s LYS 3 Cb -0.26 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1wxs s LYS 3 CO 0.32 -0.18 0.47 0.14 -0.92 0.00 0.00 175.35 175.19 1wxs s VAL 4 N -3.28 0.03 0.63 3.17 -7.23 -0.93 -4.90 120.40 107.89 1wxs s VAL 4 Ca 0.01 -1.07 -0.10 0.00 -1.81 0.00 0.00 61.98 59.01 1wxs s VAL 4 Cb 0.03 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1wxs s VAL 4 CO -0.08 -0.12 1.00 -0.44 -0.31 0.00 0.00 175.10 175.15 1wxs s SER 5 N -2.93 5.80 -0.24 4.85 0.01 -1.26 -1.37 113.70 118.56 1wxs s SER 5 Ca 0.14 1.11 -0.03 0.00 1.31 0.00 0.00 55.95 58.48 1wxs s SER 5 Cb -0.00 -2.08 0.12 0.00 0.21 0.00 0.00 66.02 64.27 1wxs s SER 5 CO 0.01 -1.06 0.33 0.12 0.41 0.00 0.00 173.24 173.06 1wxs s PHE 6 N -3.16 -0.67 -0.52 2.43 5.36 0.93 -4.67 117.98 117.67 1wxs s PHE 6 Ca 0.55 0.63 -0.22 0.00 -0.96 0.00 0.00 56.93 56.93 1wxs s PHE 6 Cb -0.11 -0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.52 1wxs s PHE 6 CO 0.50 -0.70 0.81 0.15 -1.46 0.00 0.00 175.22 174.52 1wxs s LYS 7 N 2.48 3.26 -0.49 10.12 3.01 0.00 -0.62 119.74 137.51 1wxs s LYS 7 Ca 0.11 -0.47 -0.09 0.00 -1.01 0.00 0.00 55.97 54.51 1wxs s LYS 7 Cb -0.15 -4.05 0.13 0.00 -1.01 0.00 0.00 37.83 32.74 1wxs s LYS 7 CO -0.16 -1.34 0.36 0.42 0.51 0.00 0.00 175.35 175.14 1wxs s ILE 8 N 3.38 4.18 -0.17 2.17 -1.09 0.10 -0.34 121.20 129.44 1wxs s ILE 8 Ca 0.25 -1.92 -0.07 0.00 -2.23 0.00 0.00 60.65 56.68 1wxs s ILE 8 Cb -0.15 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1wxs s ILE 8 CO 0.17 -0.79 0.05 0.42 -1.23 0.00 0.00 174.94 173.56 1wxs s THR 9 N 1.20 4.68 -0.21 2.92 -4.23 -0.92 -3.12 115.64 115.96 1wxs s THR 9 Ca 0.07 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1wxs s THR 9 Cb -0.25 -3.09 -0.15 0.00 1.34 0.00 0.00 72.50 70.36 1wxs s THR 9 CO -0.02 0.48 0.32 0.00 -0.54 0.00 0.00 174.62 174.87 1wxs n LEU 10 N 3.35 0.20 0.00 4.79 -0.00 -1.26 -0.83 117.00 123.24 1wxs n LEU 10 Ca -0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1wxs n LEU 10 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1wxs n LEU 10 CO 0.34 0.05 0.00 0.35 -0.00 0.00 0.00 177.39 178.13 1wxs n THR 11 N -1.62 0.00 -2.61 1.47 -2.24 -1.26 -4.84 114.28 103.18 1wxs n THR 11 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1wxs n THR 11 Cb 0.23 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1wxs n THR 11 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wxs n SER 12 N -1.57 -3.82 -4.36 3.42 7.64 -1.26 -4.89 113.62 108.79 1wxs n SER 12 Ca 0.00 0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 1wxs n SER 12 Cb 0.00 -3.23 0.12 0.00 -1.01 0.00 0.00 64.21 60.09 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 -1.89 -2.49 0.06 6.43 8.00 -1.26 -4.88 116.55 120.52 1wxs n ASP 13 Ca -0.12 0.26 -0.04 0.00 0.71 0.00 0.00 54.79 55.60 1wxs n ASP 13 Cb 0.60 -1.13 0.16 0.00 -0.02 0.00 0.00 41.12 40.73 1wxs n ASP 13 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1wxs h PRO 14 N -1.56 0.34 0.00 -0.24 0.13 -1.97 -3.33 132.00 125.36 1wxs h PRO 14 Ca -0.45 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 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 0.34 0.73 0.00 0.54 -0.23 0.00 0.00 178.00 179.38 1wxs n ARG 15 N -3.99 0.00 -4.11 0.86 1.74 -1.26 -4.79 116.66 105.11 1wxs n ARG 15 Ca -0.02 0.59 -0.22 0.00 -0.77 0.00 0.00 57.85 57.44 1wxs n ARG 15 Cb 0.52 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 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 -4.36 3.74 0.00 0.55 1.02 -1.25 -5.13 118.68 113.25 1wxs s LEU 16 Ca 0.00 -0.30 -0.17 0.00 0.02 0.00 0.00 54.13 53.67 1wxs s LEU 16 Cb 0.00 -2.28 0.25 0.00 0.02 0.00 0.00 46.19 44.18 1wxs s LEU 16 CO 0.00 -0.06 0.91 -0.81 0.02 0.00 0.00 176.35 176.41 1wxs n PRO 17 N -1.17 -2.78 -2.27 1.29 -0.04 -1.26 -4.12 135.00 124.64 1wxs n PRO 17 Ca -0.07 -1.46 -0.24 0.00 -0.04 0.00 0.00 63.50 61.69 1wxs n PRO 17 Cb 0.58 -1.36 0.14 0.00 -0.04 0.00 0.00 33.50 32.82 1wxs n PRO 17 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1wxs n TYR 18 N -4.46 -3.30 -3.60 0.54 0.18 -1.26 -4.72 117.16 100.53 1wxs n TYR 18 Ca 0.13 -1.51 -0.40 0.00 1.88 0.00 0.00 57.90 58.00 1wxs n TYR 18 Cb 0.49 -0.80 -0.11 0.00 -0.38 0.00 0.00 39.34 38.54 1wxs n TYR 18 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1wxs s LYS 19 N -5.27 3.19 -0.16 -3.48 -0.14 -1.18 -5.04 119.74 107.67 1wxs s LYS 19 Ca 0.67 -0.83 -0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1wxs s LYS 19 Cb -0.03 -3.69 -0.01 0.00 -1.68 0.00 0.00 37.83 32.43 1wxs s LYS 19 CO 0.45 -0.53 -0.13 0.54 -0.76 0.00 0.00 175.35 174.92 1wxs s VAL 20 N 1.62 2.89 0.11 3.17 0.11 -1.26 0.02 120.40 127.06 1wxs s VAL 20 Ca 0.04 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1wxs s VAL 20 Cb -0.18 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.40 1wxs s VAL 20 CO 0.07 0.51 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.53 1wxs s LEU 21 N 0.75 2.46 0.06 2.54 1.43 0.21 -4.96 118.68 121.18 1wxs s LEU 21 Ca -0.05 -1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 51.95 1wxs s LEU 21 Cb -0.15 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 1wxs s LEU 21 CO 0.01 -0.47 0.33 -0.94 0.23 0.00 0.00 176.35 175.51 1wxs s SER 22 N -3.07 6.53 -0.13 2.29 1.04 -1.26 -0.05 113.70 119.05 1wxs s SER 22 Ca 0.14 0.62 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 1wxs s SER 22 Cb 0.05 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 64.11 1wxs s SER 22 CO -0.03 0.18 0.32 -0.69 0.98 0.00 0.00 173.24 174.00 1wxs s VAL 23 N -1.42 -0.02 1.02 5.02 1.01 -0.47 -4.87 120.40 120.67 1wxs s VAL 23 Ca 0.33 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 1wxs s VAL 23 Cb -0.13 -0.47 0.20 0.00 0.00 0.00 0.00 36.38 35.98 1wxs s VAL 23 CO 0.19 0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1wxs s PRO 24 N 0.94 0.25 0.17 2.72 0.04 -1.26 -2.20 135.00 135.65 1wxs s PRO 24 Ca -0.06 0.45 0.16 0.00 0.04 0.00 0.00 61.00 61.58 1wxs s PRO 24 Cb -0.07 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1wxs s PRO 24 CO -0.07 -2.84 1.13 1.49 0.04 0.00 0.00 177.00 176.75 1wxs h GLU 25 N -1.97 0.00 -3.20 4.56 4.22 -1.88 -3.33 114.58 112.98 1wxs h GLU 25 Ca -0.55 0.00 -0.80 0.00 0.08 0.00 0.00 59.36 58.09 1wxs h GLU 25 Cb 1.33 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.30 1wxs h GLU 25 CO 0.57 0.40 0.62 0.45 -2.18 0.00 0.00 179.01 178.87 1wxs n SER 26 N -3.05 6.00 -3.51 1.04 2.88 -1.26 -2.84 113.62 112.88 1wxs n SER 26 Ca -0.04 -3.25 -0.16 0.00 -1.33 0.00 0.00 58.87 54.10 1wxs n SER 26 Cb 0.79 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.13 0.01 -0.40 2.46 -1.32 -1.26 -5.03 115.64 107.97 1wxs s THR 27 Ca 0.31 -0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.45 1wxs s THR 27 Cb -0.02 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1wxs s THR 27 CO 0.02 -0.03 1.74 -2.16 -2.21 0.00 0.00 174.62 171.98 1wxs s PRO 28 N -2.09 3.24 0.08 7.08 0.04 -1.26 -1.32 135.00 140.76 1wxs s PRO 28 Ca -0.07 1.17 -0.33 0.00 0.04 0.00 0.00 61.00 61.82 1wxs s PRO 28 Cb -0.01 -4.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.16 1wxs s PRO 28 CO 0.02 -1.97 1.62 0.35 0.04 0.00 0.00 177.00 177.05 1wxs h PHE 29 N 12.86 -0.92 -0.71 0.56 3.57 -1.85 -1.46 116.94 129.00 1wxs h PHE 29 Ca -0.31 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.32 1wxs h PHE 29 Cb 1.16 0.32 -0.10 0.00 2.79 0.00 0.00 35.95 40.12 1wxs h PHE 29 CO 0.98 -0.54 0.20 0.00 -2.23 0.00 0.00 178.31 176.72 1wxs h THR 30 N -0.89 0.59 0.75 4.41 1.03 -1.80 0.25 112.91 117.24 1wxs h THR 30 Ca -0.07 -0.11 -0.03 0.00 -0.01 0.00 0.00 66.41 66.19 1wxs h THR 30 Cb 0.71 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.03 1wxs h THR 30 CO 0.09 0.06 -0.48 0.00 -0.01 0.00 0.00 175.52 175.18 1wxs h ALA 31 N 1.56 -1.21 -0.66 0.00 0.00 -1.85 -1.47 119.26 115.64 1wxs h ALA 31 Ca 0.39 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1wxs h ALA 31 Cb 0.62 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1wxs h ALA 31 CO -0.45 -1.20 0.44 0.28 0.00 0.00 0.00 179.25 178.31 1wxs h VAL 32 N -1.15 0.95 0.22 0.00 2.07 -0.73 0.25 116.25 117.86 1wxs h VAL 32 Ca -0.10 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1wxs h VAL 32 Cb 0.93 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1wxs h VAL 32 CO 0.09 0.10 -0.11 0.25 0.02 0.00 0.00 177.57 177.92 1wxs h LEU 33 N 0.57 -0.25 -0.88 2.57 7.12 -0.13 -1.34 115.31 122.96 1wxs h LEU 33 Ca 0.30 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.34 1wxs h LEU 33 Cb 0.41 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 1wxs h LEU 33 CO -0.09 -0.18 0.58 0.11 -0.13 0.00 0.00 178.44 178.72 1wxs h LYS 34 N -0.31 1.11 0.11 1.25 1.57 -1.17 0.37 116.57 119.49 1wxs h LYS 34 Ca -0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wxs h LYS 34 Cb 0.23 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1wxs h LYS 34 CO 0.05 0.73 -0.41 0.35 -0.57 0.00 0.00 179.45 179.60 1wxs h PHE 35 N 1.14 -1.19 -0.46 -1.35 3.57 -0.50 -0.65 116.94 117.50 1wxs h PHE 35 Ca 0.34 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.75 1wxs h PHE 35 Cb -0.04 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1wxs h PHE 35 CO -0.01 -0.47 -0.22 0.00 -2.23 0.00 0.00 178.31 175.38 1wxs h ALA 36 N -0.79 0.74 -1.00 2.41 0.00 -1.13 -3.01 119.26 116.48 1wxs h ALA 36 Ca -0.01 -0.39 0.21 0.00 0.00 0.00 0.00 54.91 54.73 1wxs h ALA 36 Cb 0.59 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1wxs h ALA 36 CO -0.21 0.67 0.62 0.00 0.00 0.00 0.00 179.25 180.32 1wxs h ALA 37 N 0.93 1.82 -0.90 0.00 0.00 0.05 0.20 119.26 121.37 1wxs h ALA 37 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1wxs h ALA 37 Cb 0.78 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1wxs h ALA 37 CO 0.07 -0.22 0.58 1.49 0.00 0.00 0.00 179.25 181.17 1wxs h GLU 38 N 0.64 0.84 -0.01 0.00 4.81 -0.40 0.38 114.58 120.84 1wxs h GLU 38 Ca 0.59 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1wxs h GLU 38 Cb 1.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1wxs h GLU 38 CO -0.38 0.56 -0.14 -1.91 -0.73 0.00 0.00 179.01 176.41 1wxs n GLU 39 N -4.54 1.20 -1.07 1.92 4.07 0.59 -3.87 120.64 118.94 1wxs n GLU 39 Ca 0.16 -0.70 -0.16 0.00 -0.06 0.00 0.00 57.16 56.40 1wxs n GLU 39 Cb 0.33 -1.49 0.18 0.00 -0.06 0.00 0.00 31.44 30.40 1wxs n GLU 39 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1wxs n PHE 40 N -0.29 2.15 -1.44 4.31 3.01 0.58 -4.88 117.46 120.90 1wxs n PHE 40 Ca 0.15 -1.83 -0.15 0.00 1.01 0.00 0.00 57.45 56.63 1wxs n PHE 40 Cb 0.35 -0.75 -0.07 0.00 -0.01 0.00 0.00 39.48 39.01 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 -1.11 -1.36 -4.75 -1.08 4.76 -1.15 -4.87 118.16 108.59 1wxs n LYS 41 Ca 0.47 1.03 -0.33 0.00 -2.87 0.00 0.00 58.31 56.61 1wxs n LYS 41 Cb 1.29 -5.31 -0.15 0.00 -1.84 0.00 0.00 35.03 29.02 1wxs n LYS 41 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wxs s VAL 42 N -2.42 2.67 0.01 -0.18 1.01 0.10 -4.83 120.40 116.76 1wxs s VAL 42 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wxs s VAL 42 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1wxs s VAL 42 CO 0.00 0.53 0.01 -0.81 0.00 0.00 0.00 175.10 174.83 1wxs n PRO 43 N 3.78 -1.04 -0.07 2.72 -0.04 -1.26 -1.89 135.00 137.20 1wxs n PRO 43 Ca -0.19 -0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 1wxs n PRO 43 Cb 0.52 -0.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 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 -3.01 2.15 -0.00 0.55 0.00 -1.26 -4.21 120.51 114.72 1wxs n ALA 44 Ca -0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1wxs n ALA 44 Cb 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.47 0.02 -0.72 0.00 0.00 -2.01 -3.27 119.26 112.82 1wxs h ALA 45 Ca -0.33 -0.56 -0.33 0.00 0.00 0.00 0.00 54.91 53.69 1wxs h ALA 45 Cb 1.29 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.93 1wxs h ALA 45 CO -0.20 0.25 0.42 2.41 0.00 0.00 0.00 179.25 182.13 1wxs n THR 46 N -4.31 2.62 -2.22 0.00 -1.04 -1.26 -4.95 114.28 103.11 1wxs n THR 46 Ca -0.11 -1.42 -0.26 0.00 -2.04 0.00 0.00 64.05 60.22 1wxs n THR 46 Cb 0.64 -0.54 0.06 0.00 -1.82 0.00 0.00 70.33 68.67 1wxs n THR 46 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wxs s SER 47 N -0.76 5.06 -0.30 8.00 1.04 -1.24 -3.32 113.70 122.19 1wxs s SER 47 Ca 0.44 0.59 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 1wxs s SER 47 Cb 0.36 -1.34 0.17 0.00 0.10 0.00 0.00 66.02 65.32 1wxs s SER 47 CO 0.09 -1.44 1.02 0.00 0.98 0.00 0.00 173.24 173.89 1wxs s ALA 48 N -3.20 -3.05 0.03 5.32 0.00 -1.17 -4.67 121.76 115.02 1wxs s ALA 48 Ca 0.58 1.75 0.06 0.00 0.00 0.00 0.00 51.96 54.35 1wxs s ALA 48 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1wxs s ALA 48 CO 0.45 -1.19 -0.15 -1.50 0.00 0.00 0.00 175.76 173.37 1wxs s ILE 49 N 2.65 3.01 0.18 0.00 2.07 -1.26 -1.34 121.20 126.51 1wxs s ILE 49 Ca -0.00 -1.06 -0.07 0.00 -1.41 0.00 0.00 60.65 58.11 1wxs s ILE 49 Cb -0.08 -2.27 -0.02 0.00 0.13 0.00 0.00 42.46 40.22 1wxs s ILE 49 CO -0.15 0.37 0.26 0.27 -1.91 0.00 0.00 174.94 173.77 1wxs s ILE 50 N -0.93 0.04 1.03 2.00 -4.36 -0.51 -4.54 121.20 113.94 1wxs s ILE 50 Ca 0.15 -1.60 -0.17 0.00 -0.26 0.00 0.00 60.65 58.77 1wxs s ILE 50 Cb -0.11 -2.09 0.24 0.00 1.25 0.00 0.00 42.46 41.75 1wxs s ILE 50 CO 0.06 -0.20 1.32 -0.89 0.24 0.00 0.00 174.94 175.47 1wxs s THR 51 N -4.03 1.93 0.37 8.37 2.01 -1.07 -2.18 115.64 121.05 1wxs s THR 51 Ca 0.24 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.34 1wxs s THR 51 Cb 0.04 -2.93 0.33 0.00 0.01 0.00 0.00 72.50 69.95 1wxs s THR 51 CO 0.05 0.00 1.89 -0.55 -0.69 0.00 0.00 174.62 175.31 1wxs h ASN 52 N -1.90 0.59 -0.58 3.53 7.08 -1.93 0.24 115.58 122.62 1wxs h ASN 52 Ca -0.44 0.03 -0.19 0.00 -3.08 0.00 0.00 56.30 52.63 1wxs h ASN 52 Cb 1.22 -0.08 -0.11 0.00 -2.08 0.00 0.00 38.32 37.27 1wxs h ASN 52 CO 0.32 0.31 0.24 0.47 -2.08 0.00 0.00 177.43 176.68 1wxs n ASP 53 N -4.53 4.07 -1.79 6.14 9.92 -1.26 -4.87 116.55 124.22 1wxs n ASP 53 Ca 0.16 -2.94 -0.16 0.00 -0.53 0.00 0.00 54.79 51.32 1wxs n ASP 53 Cb 0.47 -0.69 -0.05 0.00 -0.64 0.00 0.00 41.12 40.20 1wxs n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wxs n GLY 54 N -0.11 0.84 3.77 0.44 0.00 0.86 -4.92 105.19 106.07 1wxs n GLY 54 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.51 3.17 1.00 -0.61 -1.09 -1.26 -4.68 121.20 115.21 1wxs s ILE 55 Ca 0.00 1.03 -0.14 0.00 -2.23 0.00 0.00 60.65 59.32 1wxs s ILE 55 Cb 0.00 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.35 1wxs s ILE 55 CO 0.00 0.14 0.43 0.61 -1.23 0.00 0.00 174.94 174.89 1wxs n GLY 56 N 0.74 -1.94 2.98 6.18 0.00 -1.26 -2.61 105.19 109.27 1wxs n GLY 56 Ca 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1wxs n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxs s ILE 57 N -2.39 0.06 -0.52 -0.61 1.01 -1.26 -4.75 121.20 112.73 1wxs s ILE 57 Ca 0.58 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1wxs s ILE 57 Cb -0.19 -0.21 0.12 0.00 0.01 0.00 0.00 42.46 42.18 1wxs s ILE 57 CO 0.66 -0.25 0.47 0.20 0.00 0.00 0.00 174.94 176.01 1wxs s ASN 58 N -0.78 6.14 0.00 3.58 0.01 -1.26 -4.91 114.94 117.72 1wxs s ASN 58 Ca -0.09 -1.72 0.15 0.00 -0.71 0.00 0.00 52.86 50.49 1wxs s ASN 58 Cb -0.05 -2.19 0.66 0.00 0.41 0.00 0.00 41.25 40.08 1wxs s ASN 58 CO -0.00 -0.81 1.44 -0.81 -1.51 0.00 0.00 177.10 175.41 1wxs n PRO 59 N 5.21 0.08 -3.11 -0.60 -0.04 -1.26 -4.09 135.00 131.19 1wxs n PRO 59 Ca -0.13 0.21 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 1wxs n PRO 59 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.42 4.69 -3.00 0.55 0.00 -1.26 -3.69 120.51 116.38 1wxs n ALA 60 Ca 0.05 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.81 1wxs n ALA 60 Cb 0.15 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 2.36 0.00 -3.51 0.00 7.27 -1.26 -5.13 117.38 117.11 1wxs n GLN 61 Ca 0.27 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 57.05 1wxs n GLN 61 Cb 0.37 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.98 1wxs n GLN 61 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wxs s THR 62 N -2.27 5.10 0.12 1.69 2.01 -1.26 -3.52 115.64 117.51 1wxs s THR 62 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 1wxs s THR 62 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1wxs s THR 62 CO 0.00 -0.19 1.59 0.00 -0.69 0.00 0.00 174.62 175.33 1wxs h ALA 63 N 2.06 -0.58 -0.68 7.40 0.00 -1.33 -1.02 119.26 125.10 1wxs h ALA 63 Ca -0.47 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1wxs h ALA 63 Cb 1.18 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 1wxs h ALA 63 CO 0.68 -0.91 0.14 0.78 0.00 0.00 0.00 179.25 179.94 1wxs h GLY 64 N -0.53 0.90 0.92 0.00 0.00 -1.64 0.28 103.07 103.01 1wxs h GLY 64 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1wxs h GLY 64 CO -0.32 -0.17 0.04 3.43 0.00 0.00 0.00 176.54 179.52 1wxs h ASN 65 N 0.25 0.04 0.75 0.19 4.21 -1.65 -1.06 115.58 118.31 1wxs h ASN 65 Ca 0.37 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 1wxs h ASN 65 Cb 0.61 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1wxs h ASN 65 CO -0.48 0.04 -0.04 0.58 -1.29 0.00 0.00 177.43 176.24 1wxs h VAL 66 N 0.09 0.13 0.01 2.81 2.07 -0.22 0.26 116.25 121.41 1wxs h VAL 66 Ca 0.05 -0.50 -0.25 0.00 0.82 0.00 0.00 66.70 66.82 1wxs h VAL 66 Cb 0.02 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1wxs h VAL 66 CO -0.05 0.04 -0.99 0.15 0.02 0.00 0.00 177.57 176.75 1wxs h PHE 67 N 0.00 0.97 0.00 1.57 3.04 0.53 -3.27 116.94 119.79 1wxs h PHE 67 Ca -0.00 -0.54 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1wxs h PHE 67 Cb 0.43 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1wxs h PHE 67 CO 0.00 1.37 -0.73 -0.11 -2.02 0.00 0.00 178.31 176.82 1wxs n LEU 68 N -3.91 0.62 0.24 0.59 0.00 -0.50 -2.08 117.00 111.96 1wxs n LEU 68 Ca -0.11 0.06 -0.14 0.00 0.00 0.00 0.00 56.01 55.82 1wxs n LEU 68 Cb 0.86 -0.17 -0.08 0.00 0.00 0.00 0.00 43.42 44.03 1wxs n LEU 68 CO 0.55 0.04 0.52 0.11 0.00 0.00 0.00 177.39 178.61 1wxs h LYS 69 N 0.00 -0.60 0.00 1.96 1.79 -0.54 -3.41 116.57 115.77 1wxs h LYS 69 Ca 0.00 0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 1wxs h LYS 69 Cb 0.66 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 1wxs h LYS 69 CO 0.00 -0.30 -1.59 0.72 -1.08 0.00 0.00 179.45 177.20 1wxs n HIS 70 N -5.26 0.00 0.00 -1.35 8.25 -1.23 -5.09 115.22 110.54 1wxs n HIS 70 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1wxs n HIS 70 Cb 0.30 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 2.85 4.56 0.44 -1.41 0.00 -0.88 -4.89 105.19 105.86 1wxs n GLY 71 Ca -0.19 -1.31 0.25 0.00 0.00 0.00 0.00 46.02 44.78 1wxs n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wxs h SER 72 N 0.00 0.00 -0.55 1.61 4.64 -1.83 -3.36 113.55 114.05 1wxs h SER 72 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1wxs h SER 72 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1wxs h SER 72 CO 0.00 0.00 0.38 -0.70 -0.87 0.00 0.00 176.83 175.64 1wxs s GLU 73 N -4.78 2.04 0.25 4.77 2.56 -1.26 -0.82 118.70 121.46 1wxs s GLU 73 Ca -0.05 0.15 0.10 0.00 0.00 0.00 0.00 54.97 55.17 1wxs s GLU 73 Cb 0.18 -4.90 -0.04 0.00 2.00 0.00 0.00 34.13 31.37 1wxs s GLU 73 CO 0.66 -3.94 -0.04 -0.51 -0.56 0.00 0.00 175.26 170.87 1wxs s LEU 74 N 12.59 3.11 -0.23 2.70 1.02 0.54 -3.63 118.68 134.78 1wxs s LEU 74 Ca 0.82 -0.66 -0.11 0.00 0.02 0.00 0.00 54.13 54.20 1wxs s LEU 74 Cb -0.10 -1.66 0.08 0.00 0.02 0.00 0.00 46.19 44.53 1wxs s LEU 74 CO 0.04 0.02 0.54 0.00 0.02 0.00 0.00 176.35 176.98 1wxs s ARG 75 N -3.50 0.51 -0.02 1.70 1.70 -0.93 -2.17 118.95 116.24 1wxs s ARG 75 Ca 0.30 1.09 -0.01 0.00 -0.47 0.00 0.00 55.73 56.64 1wxs s ARG 75 Cb -0.07 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1wxs s ARG 75 CO 0.19 -0.18 0.06 0.42 -1.08 0.00 0.00 175.30 174.70 1wxs s ILE 76 N 1.99 4.63 0.08 4.99 1.01 -0.01 -1.42 121.20 132.46 1wxs s ILE 76 Ca -0.07 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 1wxs s ILE 76 Cb -0.09 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1wxs s ILE 76 CO -0.16 0.41 0.52 0.27 0.00 0.00 0.00 174.94 175.98 1wxs s ILE 77 N -1.12 0.03 0.13 2.92 -4.36 -0.45 -4.34 121.20 114.02 1wxs s ILE 77 Ca 0.20 -0.25 -0.31 0.00 -0.26 0.00 0.00 60.65 60.03 1wxs s ILE 77 Cb -0.12 -1.01 -0.08 0.00 1.25 0.00 0.00 42.46 42.50 1wxs s ILE 77 CO 0.11 -0.14 1.34 -2.16 0.24 0.00 0.00 174.94 174.33 1wxs s PRO 78 N -2.87 4.36 0.02 0.37 0.04 -1.26 -3.01 135.00 132.64 1wxs s PRO 78 Ca -0.03 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1wxs s PRO 78 Cb -0.00 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1wxs s PRO 78 CO -0.05 -0.36 -0.20 0.50 0.04 0.00 0.00 177.00 176.93 1wxs s ARG 79 N 0.73 2.07 0.32 4.56 3.52 -1.21 -4.96 118.95 123.99 1wxs s ARG 79 Ca 0.61 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1wxs s ARG 79 Cb -0.36 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1wxs s ARG 79 CO 0.32 0.55 0.00 -0.25 -0.81 0.00 0.00 175.30 175.11 1wxs n ASP 80 N 1.79 -7.86 -4.17 -2.12 8.00 -1.26 -4.81 116.55 106.12 1wxs n ASP 80 Ca -0.16 0.56 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 1wxs n ASP 80 Cb 0.52 -4.02 -0.09 0.00 -0.02 0.00 0.00 41.12 37.51 1wxs n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wxs s ARG 81 N -2.20 1.78 0.41 -1.24 1.70 -1.26 -5.13 118.95 113.00 1wxs s ARG 81 Ca 0.00 -2.05 0.07 0.00 -0.47 0.00 0.00 55.73 53.29 1wxs s ARG 81 Cb 0.00 -0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 33.78 1wxs s ARG 81 CO 0.00 -0.40 0.12 0.14 -1.08 0.00 0.00 175.30 174.08 1wxs s VAL 82 N -3.33 2.23 0.00 4.99 -7.23 -1.26 -5.18 120.40 110.62 1wxs s VAL 82 Ca 0.30 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1wxs s VAL 82 Cb 0.05 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1wxs s VAL 82 CO 0.15 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.54