#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt s SER 2 N 0.00 -0.82 0.23 1.61 0.15 -1.26 -5.17 113.70 108.44 1wwt s SER 2 Ca 0.00 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1wwt s SER 2 Cb 0.00 1.67 -0.05 0.00 -1.71 0.00 0.00 66.02 65.93 1wwt s SER 2 CO 0.00 -0.22 0.10 -0.94 1.20 0.00 0.00 173.24 173.37 1wwt s SER 3 N 2.33 0.78 0.00 5.45 1.04 -1.26 -5.12 113.70 116.93 1wwt s SER 3 Ca -0.06 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1wwt s SER 3 Cb -0.10 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1wwt s SER 3 CO -0.17 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1wwt n GLY 4 N -0.36 -0.25 1.68 7.32 0.00 -1.26 -5.15 105.19 107.17 1wwt n GLY 4 Ca -0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1wwt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wwt n SER 5 N 0.00 -7.15 0.00 1.61 7.64 -1.26 -5.10 113.62 109.36 1wwt n SER 5 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1wwt n SER 5 Cb 0.00 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1wwt n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wwt n SER 6 N 1.40 0.00 0.00 6.43 3.41 -1.26 -5.11 113.62 118.49 1wwt n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wwt n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwt n GLY 7 N -0.15 0.79 3.65 5.00 0.00 -1.26 -5.17 105.19 108.05 1wwt n GLY 7 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 1wwt n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wwt s ASP 8 N -0.15 -0.06 0.79 1.61 1.47 -1.26 -5.16 116.67 113.91 1wwt s ASP 8 Ca 0.00 0.11 -0.11 0.00 1.18 0.00 0.00 52.55 53.73 1wwt s ASP 8 Cb 0.00 0.13 0.07 0.00 -0.34 0.00 0.00 42.92 42.78 1wwt s ASP 8 CO 0.00 -0.02 1.12 -0.94 0.68 0.00 0.00 175.17 176.01 1wwt s SER 9 N 0.04 4.15 0.10 2.11 1.04 -1.26 -4.99 113.70 114.89 1wwt s SER 9 Ca 0.07 2.00 -0.20 0.00 0.48 0.00 0.00 55.95 58.30 1wwt s SER 9 Cb -0.05 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1wwt s SER 9 CO -0.16 -2.28 0.49 -1.59 0.98 0.00 0.00 173.24 170.69 1wwt s LYS 10 N -4.62 1.10 -0.42 4.02 -2.85 -1.25 -4.95 119.74 110.78 1wwt s LYS 10 Ca 0.65 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.86 1wwt s LYS 10 Cb -0.20 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1wwt s LYS 10 CO 0.53 -0.43 1.41 -1.25 0.10 0.00 0.00 175.35 175.71 1wwt s PRO 11 N -3.26 3.57 0.41 1.78 0.04 -1.26 -1.05 135.00 135.21 1wwt s PRO 11 Ca -0.01 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.03 1wwt s PRO 11 Cb 0.00 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 1wwt s PRO 11 CO -0.08 -1.58 0.33 0.96 0.04 0.00 0.00 177.00 176.67 1wwt s ILE 12 N 5.45 2.69 -0.08 0.56 -4.36 0.52 -4.95 121.20 121.04 1wwt s ILE 12 Ca 0.61 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.63 1wwt s ILE 12 Cb -0.13 -3.01 -0.01 0.00 1.25 0.00 0.00 42.46 40.55 1wwt s ILE 12 CO 0.33 -0.02 -0.22 -0.75 0.24 0.00 0.00 174.94 174.52 1wwt s LYS 13 N -4.07 2.79 -0.16 0.37 2.20 -1.26 -0.05 119.74 119.56 1wwt s LYS 13 Ca 0.46 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1wwt s LYS 13 Cb -0.02 -2.29 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1wwt s LYS 13 CO 0.27 0.34 -0.10 0.08 -0.36 0.00 0.00 175.35 175.58 1wwt s VAL 14 N -0.04 1.40 0.09 4.02 1.01 -0.37 -2.21 120.40 124.30 1wwt s VAL 14 Ca -0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1wwt s VAL 14 Cb -0.15 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 1wwt s VAL 14 CO 0.05 0.29 0.68 -0.89 0.00 0.00 0.00 175.10 175.22 1wwt s THR 15 N 1.53 4.63 0.73 3.92 2.01 -1.18 -0.85 115.64 126.43 1wwt s THR 15 Ca 0.02 1.47 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 1wwt s THR 15 Cb -0.14 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1wwt s THR 15 CO -0.09 0.49 1.07 -0.76 -0.69 0.00 0.00 174.62 174.65 1wwt s LEU 16 N -0.82 2.96 0.00 4.42 1.43 0.34 -0.68 118.68 126.32 1wwt s LEU 16 Ca 0.33 1.55 0.20 0.00 -1.03 0.00 0.00 54.13 55.18 1wwt s LEU 16 Cb -0.21 -4.33 1.22 0.00 0.03 0.00 0.00 46.19 42.91 1wwt s LEU 16 CO 0.22 -1.66 1.64 -0.81 0.23 0.00 0.00 176.35 175.97 1wwt n PRO 17 N -3.26 0.75 0.00 1.29 -0.04 -0.94 -1.76 135.00 131.04 1wwt n PRO 17 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1wwt n PRO 17 Cb 0.54 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1wwt n PRO 17 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wwt n ASP 18 N -0.92 1.52 0.00 3.54 -0.08 -1.26 -4.97 116.55 114.37 1wwt n ASP 18 Ca 0.15 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 52.17 1wwt n ASP 18 Cb 0.07 0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wwt n GLY 19 N 0.95 1.93 3.26 0.27 0.00 -0.72 -5.08 105.19 105.79 1wwt n GLY 19 Ca 0.06 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1wwt n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwt n LYS 20 N 0.00 -1.09 -4.12 1.61 4.76 -1.26 -4.47 118.16 113.59 1wwt n LYS 20 Ca 0.00 -0.30 -0.14 0.00 -2.87 0.00 0.00 58.31 55.00 1wwt n LYS 20 Cb 0.00 -1.62 -0.11 0.00 -1.84 0.00 0.00 35.03 31.46 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wwt s GLN 21 N -3.25 0.68 0.10 1.97 -0.21 -1.26 0.13 119.66 117.82 1wwt s GLN 21 Ca 0.53 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 54.92 1wwt s GLN 21 Cb -0.11 -0.46 -0.02 0.00 1.00 0.00 0.00 33.01 33.42 1wwt s GLN 21 CO 0.67 0.08 0.14 0.08 -2.12 0.00 0.00 175.29 174.14 1wwt s VAL 22 N -1.73 0.14 -0.18 1.09 1.01 -0.03 -4.89 120.40 115.81 1wwt s VAL 22 Ca -0.03 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.40 1wwt s VAL 22 Cb -0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1wwt s VAL 22 CO 0.00 -0.65 0.12 1.51 0.00 0.00 0.00 175.10 176.08 1wwt s ASP 23 N -2.92 6.11 0.36 3.32 -4.77 -1.26 -1.23 116.67 116.28 1wwt s ASP 23 Ca 0.10 0.24 0.06 0.00 -3.30 0.00 0.00 52.55 49.64 1wwt s ASP 23 Cb 0.06 -2.05 -0.03 0.00 -1.09 0.00 0.00 42.92 39.81 1wwt s ASP 23 CO -0.07 0.22 0.22 0.00 0.70 0.00 0.00 175.17 176.24 1wwt s ALA 24 N 0.14 2.29 -0.01 2.11 0.00 0.93 -4.91 121.76 122.30 1wwt s ALA 24 Ca 0.08 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.32 1wwt s ALA 24 Cb -0.11 1.21 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1wwt s ALA 24 CO -0.01 -0.54 -0.02 -1.21 0.00 0.00 0.00 175.76 173.98 1wwt s GLU 25 N -3.54 0.33 0.08 0.00 2.02 -1.26 0.19 118.70 116.52 1wwt s GLU 25 Ca 0.34 -0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.96 1wwt s GLU 25 Cb 0.02 -0.38 -0.08 0.00 0.10 0.00 0.00 34.13 33.79 1wwt s GLU 25 CO 0.23 -0.00 1.60 -1.54 0.02 0.00 0.00 175.26 175.57 1wwt s SER 26 N 0.34 6.64 -1.26 -0.19 1.04 -0.22 -1.11 113.70 118.94 1wwt s SER 26 Ca -0.03 2.45 -0.03 0.00 0.48 0.00 0.00 55.95 58.82 1wwt s SER 26 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wwt s SER 26 CO -0.01 -0.85 0.43 0.79 0.98 0.00 0.00 173.24 174.58 1wwt n TRP 27 N 5.31 -1.47 0.09 5.02 7.02 -0.71 -3.94 117.44 128.75 1wwt n TRP 27 Ca 0.15 0.37 0.00 0.00 -1.02 0.00 0.00 57.50 57.00 1wwt n TRP 27 Cb 0.41 -3.74 0.00 0.00 -2.42 0.00 0.00 31.31 25.55 1wwt n TRP 27 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wwt n LYS 28 N -3.27 0.00 -3.86 -0.99 5.02 -0.55 -4.93 118.16 109.59 1wwt n LYS 28 Ca -0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.88 1wwt n LYS 28 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.57 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wwt s THR 29 N -1.61 5.33 0.47 -0.18 2.01 -0.26 -4.90 115.64 116.50 1wwt s THR 29 Ca 0.00 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1wwt s THR 29 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1wwt s THR 29 CO 0.00 0.11 0.04 0.42 -0.69 0.00 0.00 174.62 174.50 1wwt s THR 30 N -1.55 1.56 0.10 -0.82 -4.23 -1.26 -1.26 115.64 108.17 1wwt s THR 30 Ca 0.37 -1.95 0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1wwt s THR 30 Cb -0.13 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.26 1wwt s THR 30 CO 0.27 0.00 1.59 1.55 -0.54 0.00 0.00 174.62 177.50 1wwt h PRO 31 N 1.46 0.00 -0.31 3.99 0.13 -1.75 -2.67 132.00 132.85 1wwt h PRO 31 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1wwt h PRO 31 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wwt h PRO 31 CO 0.75 0.51 -0.37 -0.92 -0.23 0.00 0.00 178.00 177.74 1wwt h TYR 32 N 0.00 0.84 0.17 1.56 3.20 -1.88 -2.97 116.97 117.90 1wwt h TYR 32 Ca -0.01 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1wwt h TYR 32 Cb 1.14 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1wwt h TYR 32 CO 0.00 0.98 -0.08 1.96 -1.64 0.00 0.00 178.16 179.37 1wwt h GLN 33 N 0.59 -0.22 -0.43 1.82 4.20 -1.83 -2.92 115.11 116.32 1wwt h GLN 33 Ca 0.06 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1wwt h GLN 33 Cb 0.90 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 1wwt h GLN 33 CO 0.08 0.20 -0.26 0.82 -0.67 0.00 0.00 178.83 179.00 1wwt h ILE 34 N -0.81 0.00 -0.80 2.54 2.04 -1.52 0.60 117.51 119.55 1wwt h ILE 34 Ca -0.02 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1wwt h ILE 34 Cb 0.52 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 1wwt h ILE 34 CO 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.03 1wwt h ALA 35 N -0.36 0.60 -0.16 1.87 0.00 -1.63 0.17 119.26 119.75 1wwt h ALA 35 Ca 0.07 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1wwt h ALA 35 Cb 0.18 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1wwt h ALA 35 CO -0.41 -0.42 -0.49 0.00 0.00 0.00 0.00 179.25 177.94 1wwt n GLY 37 N -1.38 -2.10 0.20 0.00 0.00 0.52 -0.85 105.19 101.58 1wwt n GLY 37 Ca -0.05 1.10 -0.06 0.00 0.00 0.00 0.00 46.02 47.01 1wwt n GLY 37 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwt h ILE 38 N 0.00 0.00 -3.05 -0.61 5.03 -0.52 -3.43 117.51 114.93 1wwt h ILE 38 Ca 0.31 0.00 -0.17 0.00 -0.12 0.00 0.00 64.86 64.88 1wwt h ILE 38 Cb 0.55 0.00 -0.27 0.00 -3.03 0.00 0.00 36.82 34.07 1wwt h ILE 38 CO -0.96 0.00 -0.43 -0.94 -0.68 0.00 0.00 178.15 175.14 1wwt s SER 39 N -3.72 -0.28 -0.39 1.72 1.04 -0.03 -5.11 113.70 106.93 1wwt s SER 39 Ca -0.06 0.54 -0.28 0.00 0.48 0.00 0.00 55.95 56.63 1wwt s SER 39 Cb 0.04 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1wwt s SER 39 CO 0.27 -0.12 1.64 -1.58 0.98 0.00 0.00 173.24 174.42 1wwt s GLN 40 N 0.59 3.38 0.00 4.02 -0.44 -1.19 -2.45 119.66 123.57 1wwt s GLN 40 Ca -0.04 1.14 0.00 0.00 -2.50 0.00 0.00 55.36 53.97 1wwt s GLN 40 Cb -0.05 -4.14 0.00 0.00 -1.64 0.00 0.00 33.01 27.18 1wwt s GLN 40 CO -0.03 -1.81 0.00 0.41 0.50 0.00 0.00 175.29 174.36 1wwt n GLY 41 N 5.30 2.13 0.32 2.59 0.00 -1.26 -4.96 105.19 109.32 1wwt n GLY 41 Ca 0.20 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1wwt n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wwt h LEU 42 N 0.00 0.70 0.56 0.99 6.46 -1.78 -0.09 115.31 122.15 1wwt h LEU 42 Ca 0.00 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1wwt h LEU 42 Cb 0.00 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1wwt h LEU 42 CO 0.00 0.37 -0.27 0.00 -0.62 0.00 0.00 178.44 177.92 1wwt h ALA 43 N 1.50 -1.20 -0.99 1.25 0.00 -1.80 -2.59 119.26 115.43 1wwt h ALA 43 Ca 0.44 -0.16 0.35 0.00 0.00 0.00 0.00 54.91 55.54 1wwt h ALA 43 Cb 0.47 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 18.38 1wwt h ALA 43 CO -0.28 -1.15 0.44 -0.44 0.00 0.00 0.00 179.25 177.82 1wwt h ASP 44 N -0.75 0.23 -1.32 0.00 5.19 -1.81 0.60 116.42 118.55 1wwt h ASP 44 Ca -0.08 0.24 -0.75 0.00 -0.62 0.00 0.00 57.03 55.82 1wwt h ASP 44 Cb 0.58 0.26 -0.14 0.00 0.18 0.00 0.00 39.33 40.21 1wwt h ASP 44 CO 0.13 -0.31 2.19 -3.20 -3.12 0.00 0.00 179.24 174.92 1wwt n ASN 45 N -5.23 6.83 -3.90 6.45 5.15 -0.08 -4.89 115.26 119.58 1wwt n ASN 45 Ca 0.32 -3.15 -0.15 0.00 -0.60 0.00 0.00 54.58 51.00 1wwt n ASN 45 Cb 1.06 -1.40 -0.15 0.00 -0.53 0.00 0.00 39.78 38.76 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wwt s THR 46 N -0.68 0.24 -0.08 -0.44 2.01 0.20 -4.85 115.64 112.04 1wwt s THR 46 Ca 0.47 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 1wwt s THR 46 Cb 0.15 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.40 1wwt s THR 46 CO -0.05 0.09 -0.12 0.52 -0.69 0.00 0.00 174.62 174.37 1wwt n VAL 47 N 3.24 0.73 -3.74 3.82 0.31 -1.21 -5.03 118.33 116.45 1wwt n VAL 47 Ca -0.16 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1wwt n VAL 47 Cb 0.57 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.44 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wwt s ILE 48 N -1.75 -0.01 -0.13 2.52 -1.09 -1.26 -4.96 121.20 114.53 1wwt s ILE 48 Ca -0.10 0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1wwt s ILE 48 Cb 0.01 -0.49 -0.04 0.00 -1.58 0.00 0.00 42.46 40.37 1wwt s ILE 48 CO 0.15 0.01 0.07 0.00 -1.23 0.00 0.00 174.94 173.94 1wwt s ALA 49 N 0.47 3.52 -0.14 9.38 0.00 -1.13 0.35 121.76 134.20 1wwt s ALA 49 Ca -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1wwt s ALA 49 Cb -0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1wwt s ALA 49 CO -0.02 0.46 0.17 0.15 0.00 0.00 0.00 175.76 176.51 1wwt s LYS 50 N -0.51 3.74 -0.35 0.00 1.02 0.13 0.18 119.74 123.94 1wwt s LYS 50 Ca 0.10 -0.10 0.03 0.00 0.02 0.00 0.00 55.97 56.02 1wwt s LYS 50 Cb -0.12 -3.27 0.10 0.00 -0.52 0.00 0.00 37.83 34.02 1wwt s LYS 50 CO 0.02 0.60 0.09 0.08 -0.92 0.00 0.00 175.35 175.22 1wwt s VAL 51 N -0.55 1.91 0.00 3.17 1.01 0.39 -2.25 120.40 124.09 1wwt s VAL 51 Ca 0.14 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1wwt s VAL 51 Cb -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1wwt s VAL 51 CO 0.03 -0.65 0.00 -3.20 0.00 0.00 0.00 175.10 171.28 1wwt n ASN 52 N 4.29 -1.82 0.00 3.32 2.85 -0.80 -3.12 115.26 119.97 1wwt n ASN 52 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1wwt n ASN 52 Cb 0.41 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.97 1wwt n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wwt n ASN 53 N 1.82 -2.74 -4.01 1.20 5.15 -1.26 -4.95 115.26 110.46 1wwt n ASN 53 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1wwt n ASN 53 Cb 0.23 -0.46 -0.16 0.00 -0.53 0.00 0.00 39.78 38.86 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wwt s VAL 54 N -2.00 0.89 0.21 3.44 -7.23 -1.18 -5.08 120.40 109.45 1wwt s VAL 54 Ca 0.00 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.47 1wwt s VAL 54 Cb 0.00 -0.81 -0.16 0.00 0.56 0.00 0.00 36.38 35.98 1wwt s VAL 54 CO 0.00 0.28 0.94 0.52 -0.31 0.00 0.00 175.10 176.53 1wwt n VAL 55 N 3.44 1.51 -3.74 1.32 0.31 -1.26 0.15 118.33 120.06 1wwt n VAL 55 Ca -0.20 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 1wwt n VAL 55 Cb 0.53 -0.63 -0.15 0.00 -0.91 0.00 0.00 33.84 32.68 1wwt n VAL 55 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1wwt s TRP 56 N -0.69 -0.13 0.52 3.52 -0.11 0.48 -4.62 118.94 117.92 1wwt s TRP 56 Ca 0.67 0.43 -0.22 0.00 1.22 0.00 0.00 56.10 58.20 1wwt s TRP 56 Cb -0.84 -0.14 -0.06 0.00 -1.50 0.00 0.00 33.47 30.93 1wwt s TRP 56 CO 0.56 -0.17 1.25 -0.51 -4.62 0.00 0.00 176.95 173.47 1wwt s ASP 57 N 1.32 5.60 0.19 5.86 1.01 -1.26 -2.85 116.67 126.53 1wwt s ASP 57 Ca -0.07 2.50 -0.04 0.00 0.71 0.00 0.00 52.55 55.65 1wwt s ASP 57 Cb -0.12 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.30 1wwt s ASP 57 CO -0.05 -1.32 1.50 -0.07 0.21 0.00 0.00 175.17 175.44 1wwt h LEU 58 N 1.57 0.64 -4.09 1.23 3.38 -1.93 -3.09 115.31 113.02 1wwt h LEU 58 Ca -0.50 -0.34 -0.35 0.00 0.09 0.00 0.00 57.88 56.78 1wwt h LEU 58 Cb 1.28 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1wwt h LEU 58 CO 0.58 1.05 0.16 -0.67 0.09 0.00 0.00 178.44 179.66 1wwt n ASP 59 N -3.97 6.07 -3.67 -0.43 2.03 -1.26 -3.60 116.55 111.72 1wwt n ASP 59 Ca -0.03 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.26 1wwt n ASP 59 Cb 0.60 -1.24 -0.09 0.00 -0.72 0.00 0.00 41.12 39.67 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wwt s ARG 60 N -0.90 0.53 0.46 -0.67 3.52 -1.17 -5.14 118.95 115.58 1wwt s ARG 60 Ca 0.52 0.99 -0.22 0.00 -0.13 0.00 0.00 55.73 56.89 1wwt s ARG 60 Cb 0.31 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.68 1wwt s ARG 60 CO -0.11 -0.16 1.04 -1.25 -0.81 0.00 0.00 175.30 174.02 1wwt s PRO 61 N 1.55 3.93 1.43 5.12 0.04 -1.26 -3.97 135.00 141.84 1wwt s PRO 61 Ca -0.10 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 1wwt s PRO 61 Cb -0.07 -2.25 0.37 0.00 0.04 0.00 0.00 34.50 32.59 1wwt s PRO 61 CO -0.16 -0.33 0.92 -0.51 0.04 0.00 0.00 177.00 176.96 1wwt s LEU 62 N -3.19 -1.17 -0.10 -3.56 2.01 -0.39 -4.60 118.68 107.69 1wwt s LEU 62 Ca 0.64 0.91 0.04 0.00 0.01 0.00 0.00 54.13 55.73 1wwt s LEU 62 Cb -0.18 -2.33 -0.09 0.00 0.01 0.00 0.00 46.19 43.59 1wwt s LEU 62 CO 0.23 -5.43 -0.03 -0.62 1.01 0.00 0.00 176.35 171.51 1wwt n GLU 63 N -5.68 1.43 -3.81 1.70 1.02 -1.26 -1.74 120.64 112.29 1wwt n GLU 63 Ca 0.12 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.32 1wwt n GLU 63 Cb 0.60 -1.23 0.01 0.00 -0.02 0.00 0.00 31.44 30.80 1wwt n GLU 63 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wwt n GLU 64 N -2.58 0.11 -1.40 3.49 0.28 -1.26 -4.59 120.64 114.69 1wwt n GLU 64 Ca -0.17 -0.62 -0.61 0.00 -0.16 0.00 0.00 57.16 55.60 1wwt n GLU 64 Cb 0.75 1.07 -0.11 0.00 1.43 0.00 0.00 31.44 34.58 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1wwt n ASP 65 N -0.96 0.98 -3.07 -1.84 5.68 -1.26 -4.81 116.55 111.26 1wwt n ASP 65 Ca 0.05 0.80 -0.13 0.00 -0.50 0.00 0.00 54.79 55.01 1wwt n ASP 65 Cb 0.52 -0.92 -0.02 0.00 -1.14 0.00 0.00 41.12 39.57 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wwt s THR 67 N -2.72 4.91 -0.10 0.00 -4.23 -1.26 -3.12 115.64 109.12 1wwt s THR 67 Ca 0.26 -0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1wwt s THR 67 Cb -0.02 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1wwt s THR 67 CO 0.18 0.38 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.35 1wwt s LEU 68 N -1.67 3.13 -0.19 4.79 2.96 0.14 -1.91 118.68 125.92 1wwt s LEU 68 Ca 0.23 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1wwt s LEU 68 Cb -0.12 -1.70 0.10 0.00 0.50 0.00 0.00 46.19 44.96 1wwt s LEU 68 CO 0.13 0.29 0.36 -0.70 -1.32 0.00 0.00 176.35 175.11 1wwt s GLU 69 N -0.36 0.28 -0.08 1.98 2.12 -0.95 -2.21 118.70 119.47 1wwt s GLU 69 Ca 0.05 0.77 -0.24 0.00 0.36 0.00 0.00 54.97 55.92 1wwt s GLU 69 Cb -0.12 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 1wwt s GLU 69 CO 0.02 -0.39 0.73 -0.51 -0.54 0.00 0.00 175.26 174.57 1wwt s LEU 70 N 2.53 4.30 0.34 2.70 2.01 -1.26 0.17 118.68 129.47 1wwt s LEU 70 Ca 0.04 1.20 -0.09 0.00 0.01 0.00 0.00 54.13 55.29 1wwt s LEU 70 Cb -0.13 -3.12 -0.06 0.00 0.01 0.00 0.00 46.19 42.89 1wwt s LEU 70 CO -0.12 -0.16 0.68 -0.76 1.01 0.00 0.00 176.35 176.99 1wwt s LEU 71 N 0.98 3.96 -0.18 1.79 1.02 0.15 -4.98 118.68 121.42 1wwt s LEU 71 Ca 0.38 0.99 -0.03 0.00 0.02 0.00 0.00 54.13 55.49 1wwt s LEU 71 Cb -0.18 -3.83 -0.02 0.00 0.02 0.00 0.00 46.19 42.18 1wwt s LEU 71 CO 0.18 -0.29 -0.05 -1.59 0.02 0.00 0.00 176.35 174.62 1wwt s LYS 72 N -3.58 3.50 -0.55 1.70 -2.85 -1.26 -3.36 119.74 113.34 1wwt s LYS 72 Ca 0.49 -0.59 -0.09 0.00 -1.00 0.00 0.00 55.97 54.78 1wwt s LYS 72 Cb -0.10 -2.92 0.01 0.00 -2.06 0.00 0.00 37.83 32.75 1wwt s LYS 72 CO 0.29 0.04 0.16 1.19 0.10 0.00 0.00 175.35 177.13 1wwt n PHE 73 N 4.10 -0.54 -0.97 1.78 3.72 -1.26 -4.65 117.46 119.64 1wwt n PHE 73 Ca -0.18 0.11 -0.30 0.00 -0.05 0.00 0.00 57.45 57.03 1wwt n PHE 73 Cb 0.52 -1.13 0.01 0.00 -0.94 0.00 0.00 39.48 37.94 1wwt n PHE 73 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1wwt n GLU 74 N -2.56 0.00 -3.15 -1.08 -0.00 -1.26 -4.97 120.64 107.62 1wwt n GLU 74 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.14 1wwt n GLU 74 Cb 0.25 -0.78 -0.00 0.00 -0.00 0.00 0.00 31.44 30.91 1wwt n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1wwt s ASP 75 N -0.78 -0.03 0.06 -1.84 -1.08 -1.26 -5.05 116.67 106.69 1wwt s ASP 75 Ca 0.44 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 1wwt s ASP 75 Cb -0.40 1.02 0.00 0.00 -1.46 0.00 0.00 42.92 42.08 1wwt s ASP 75 CO 0.51 -0.01 0.00 -0.62 0.52 0.00 0.00 175.17 175.58 1wwt n GLU 76 N 5.05 0.00 0.00 4.34 -0.58 -1.26 -5.01 120.64 123.18 1wwt n GLU 76 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1wwt n GLU 76 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wwt n GLU 77 N -2.76 0.00 0.00 3.49 2.13 -1.26 -5.03 120.64 117.21 1wwt n GLU 77 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1wwt n GLU 77 Cb 0.00 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wwt n ALA 78 N -2.43 0.00 -0.85 4.31 0.00 -1.26 -4.84 120.51 115.44 1wwt n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wwt n ALA 78 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1wwt n ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wwt n GLN 79 N 0.00 0.00 -3.98 0.00 6.02 -1.26 -4.26 117.38 113.90 1wwt n GLN 79 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1wwt n GLN 79 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwt s ALA 80 N -1.00 1.98 0.19 -1.58 0.00 -1.26 -5.10 121.76 115.00 1wwt s ALA 80 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 1wwt s ALA 80 Cb 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.85 1wwt s ALA 80 CO 0.00 -0.92 0.63 0.54 0.00 0.00 0.00 175.76 176.00 1wwt s VAL 81 N 1.40 0.00 0.33 0.00 0.11 -1.26 -5.04 120.40 115.94 1wwt s VAL 81 Ca -0.03 -0.31 -0.27 0.00 -2.93 0.00 0.00 61.98 58.44 1wwt s VAL 81 Cb -0.17 -1.30 -0.13 0.00 -1.53 0.00 0.00 36.38 33.25 1wwt s VAL 81 CO -0.08 -0.01 1.09 0.00 -3.33 0.00 0.00 175.10 172.77 1wwt n TYR 82 N -0.40 1.53 -2.73 1.54 0.18 -1.26 -4.96 117.16 111.06 1wwt n TYR 82 Ca -0.13 0.63 -0.04 0.00 1.88 0.00 0.00 57.90 60.24 1wwt n TYR 82 Cb 0.63 -2.29 0.02 0.00 -0.38 0.00 0.00 39.34 37.32 1wwt n TYR 82 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1wwt n SER 83 N 0.95 -2.87 0.00 9.48 7.64 -1.26 -5.04 113.62 122.53 1wwt n SER 83 Ca 0.08 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1wwt n SER 83 Cb 0.35 1.46 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 1wwt n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 84 N 2.82 -1.98 3.66 0.23 0.00 -1.26 -5.11 105.19 103.54 1wwt n GLY 84 Ca 0.16 0.58 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 1wwt n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwt s PRO 85 N -0.67 4.20 0.01 1.61 0.04 -1.26 -5.01 135.00 133.92 1wwt s PRO 85 Ca 0.00 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wwt s PRO 85 Cb 0.00 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 1wwt s PRO 85 CO 0.00 -0.76 -0.06 0.45 0.04 0.00 0.00 177.00 176.67 1wwt s SER 86 N 2.11 0.70 -0.20 6.66 0.15 -1.26 -5.15 113.70 116.71 1wwt s SER 86 Ca 0.55 -0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.73 1wwt s SER 86 Cb -0.22 -0.05 0.09 0.00 -1.71 0.00 0.00 66.02 64.13 1wwt s SER 86 CO 0.16 0.01 0.81 -0.55 1.20 0.00 0.00 173.24 174.86 1wwt s SER 87 N -0.46 -0.62 0.00 5.45 0.15 -1.26 -5.29 113.70 111.67 1wwt s SER 87 Ca -0.01 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wwt s SER 87 Cb -0.04 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1wwt s SER 87 CO -0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71