#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt n SER 2 N 0.00 0.14 0.04 1.61 2.88 -1.26 -5.03 113.62 112.00 1wwt n SER 2 Ca 0.00 0.35 -0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1wwt n SER 2 Cb 0.00 0.19 -0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1wwt n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wwt n SER 3 N -3.37 0.99 0.00 -3.46 2.88 -1.26 -5.14 113.62 104.26 1wwt n SER 3 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wwt n SER 3 Cb 0.02 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wwt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwt n GLY 4 N 3.38 3.41 3.25 0.46 0.00 -1.26 -5.06 105.19 109.38 1wwt n GLY 4 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1wwt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwt n SER 5 N 0.00 -6.39 -3.64 1.61 2.88 -1.26 -5.01 113.62 101.81 1wwt n SER 5 Ca 0.00 0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 57.77 1wwt n SER 5 Cb 0.00 -2.28 -0.07 0.00 -0.75 0.00 0.00 64.21 61.11 1wwt n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wwt s SER 6 N -1.39 -0.44 -0.20 -3.46 0.15 -1.26 -5.15 113.70 101.96 1wwt s SER 6 Ca 0.18 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.59 1wwt s SER 6 Cb -0.02 1.00 0.04 0.00 -1.71 0.00 0.00 66.02 65.33 1wwt s SER 6 CO 0.50 -0.12 -0.10 -0.83 1.20 0.00 0.00 173.24 173.88 1wwt s GLY 7 N 0.82 1.26 -0.24 9.45 0.00 -1.26 -5.04 107.32 112.31 1wwt s GLY 7 Ca -0.03 -1.20 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 1wwt s GLY 7 CO -0.12 0.71 0.15 0.99 0.00 0.00 0.00 173.10 174.83 1wwt s ASP 8 N 1.40 5.98 0.86 1.64 1.01 -1.26 -5.08 116.67 121.22 1wwt s ASP 8 Ca -0.01 0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.20 1wwt s ASP 8 Cb -0.16 -2.08 0.11 0.00 1.01 0.00 0.00 42.92 41.79 1wwt s ASP 8 CO -0.08 0.05 1.09 -0.94 0.21 0.00 0.00 175.17 175.50 1wwt s SER 9 N 1.15 3.78 0.13 0.27 1.04 -1.26 -5.02 113.70 113.79 1wwt s SER 9 Ca 0.07 1.55 -0.24 0.00 0.48 0.00 0.00 55.95 57.82 1wwt s SER 9 Cb -0.14 -2.24 0.07 0.00 0.10 0.00 0.00 66.02 63.81 1wwt s SER 9 CO 0.05 -2.46 0.60 -1.59 0.98 0.00 0.00 173.24 170.83 1wwt s LYS 10 N -4.94 1.24 -0.45 4.02 -2.85 -1.26 -4.96 119.74 110.55 1wwt s LYS 10 Ca 0.63 -0.39 -0.29 0.00 -1.00 0.00 0.00 55.97 54.92 1wwt s LYS 10 Cb -0.18 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1wwt s LYS 10 CO 0.57 -0.52 1.43 -1.25 0.10 0.00 0.00 175.35 175.67 1wwt s PRO 11 N -3.42 3.49 0.42 1.78 0.04 -1.26 -1.10 135.00 134.94 1wwt s PRO 11 Ca -0.00 0.84 0.08 0.00 0.04 0.00 0.00 61.00 61.95 1wwt s PRO 11 Cb -0.01 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 1wwt s PRO 11 CO -0.10 -1.68 0.47 0.96 0.04 0.00 0.00 177.00 176.69 1wwt s ILE 12 N 5.68 2.83 -0.07 0.56 -4.36 0.51 -4.94 121.20 121.42 1wwt s ILE 12 Ca 0.60 -1.18 0.05 0.00 -0.26 0.00 0.00 60.65 59.85 1wwt s ILE 12 Cb -0.13 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.56 1wwt s ILE 12 CO 0.31 -0.00 -0.22 -0.75 0.24 0.00 0.00 174.94 174.52 1wwt s LYS 13 N -4.23 2.67 -0.18 0.37 2.47 -1.26 -0.09 119.74 119.50 1wwt s LYS 13 Ca 0.51 -0.84 -0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1wwt s LYS 13 Cb -0.06 -2.26 0.04 0.00 -1.46 0.00 0.00 37.83 34.09 1wwt s LYS 13 CO 0.30 0.39 -0.06 0.08 0.16 0.00 0.00 175.35 176.23 1wwt s VAL 14 N -0.17 1.21 0.08 4.02 1.01 -0.38 -2.20 120.40 123.96 1wwt s VAL 14 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1wwt s VAL 14 Cb -0.14 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 1wwt s VAL 14 CO 0.04 0.12 0.73 -0.89 0.00 0.00 0.00 175.10 175.10 1wwt s THR 15 N 1.59 4.64 0.75 3.92 2.01 -1.18 -0.72 115.64 126.65 1wwt s THR 15 Ca 0.00 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1wwt s THR 15 Cb -0.16 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1wwt s THR 15 CO -0.08 0.44 1.08 -0.76 -0.69 0.00 0.00 174.62 174.61 1wwt s LEU 16 N -0.50 2.92 0.00 4.42 1.43 0.17 -0.96 118.68 126.15 1wwt s LEU 16 Ca 0.36 1.59 0.19 0.00 -1.03 0.00 0.00 54.13 55.25 1wwt s LEU 16 Cb -0.21 -4.33 1.16 0.00 0.03 0.00 0.00 46.19 42.84 1wwt s LEU 16 CO 0.23 -1.81 1.60 -0.81 0.23 0.00 0.00 176.35 175.79 1wwt n PRO 17 N -3.36 0.75 0.00 1.29 -0.04 -0.86 -1.80 135.00 130.98 1wwt n PRO 17 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1wwt n PRO 17 Cb 0.54 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.90 0.92 0.00 3.54 -0.08 -1.26 -4.98 116.55 113.78 1wwt n ASP 18 Ca 0.15 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.47 1wwt n ASP 18 Cb 0.07 0.85 0.00 0.00 2.34 0.00 0.00 41.12 44.38 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 1.27 1.55 3.25 0.27 0.00 -0.74 -5.09 105.19 105.70 1wwt n GLY 19 Ca 0.04 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.49 -4.14 1.61 5.02 -1.26 -4.51 118.16 113.39 1wwt n LYS 20 Ca 0.00 -0.42 -0.16 0.00 -2.02 0.00 0.00 58.31 55.71 1wwt n LYS 20 Cb 0.00 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 33.26 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wwt s GLN 21 N -3.31 0.74 0.12 1.97 -0.21 -1.26 0.45 119.66 118.16 1wwt s GLN 21 Ca 0.54 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 1wwt s GLN 21 Cb -0.09 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.27 1wwt s GLN 21 CO 0.66 0.12 0.10 0.08 -2.12 0.00 0.00 175.29 174.14 1wwt s VAL 22 N -1.54 0.12 -0.13 1.09 1.01 0.10 -4.88 120.40 116.18 1wwt s VAL 22 Ca -0.03 -1.71 -0.05 0.00 0.00 0.00 0.00 61.98 60.18 1wwt s VAL 22 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1wwt s VAL 22 CO 0.01 -0.54 0.07 1.51 0.00 0.00 0.00 175.10 176.15 1wwt s ASP 23 N -2.99 5.79 0.30 3.32 -4.77 -1.26 -1.25 116.67 115.80 1wwt s ASP 23 Ca 0.18 0.25 0.05 0.00 -3.30 0.00 0.00 52.55 49.73 1wwt s ASP 23 Cb 0.06 -1.84 -0.03 0.00 -1.09 0.00 0.00 42.92 40.03 1wwt s ASP 23 CO -0.02 0.33 0.24 0.00 0.70 0.00 0.00 175.17 176.43 1wwt s ALA 24 N -0.58 1.67 -0.04 2.11 0.00 0.88 -4.88 121.76 120.90 1wwt s ALA 24 Ca 0.11 -1.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.09 1wwt s ALA 24 Cb -0.12 1.45 0.03 0.00 0.00 0.00 0.00 23.12 24.48 1wwt s ALA 24 CO 0.02 -0.65 0.01 -1.21 0.00 0.00 0.00 175.76 173.93 1wwt s GLU 25 N -3.63 0.37 -0.05 0.00 2.02 -1.26 0.19 118.70 116.34 1wwt s GLU 25 Ca 0.40 0.12 -0.35 0.00 0.02 0.00 0.00 54.97 55.17 1wwt s GLU 25 Cb 0.04 -0.66 -0.13 0.00 0.10 0.00 0.00 34.13 33.48 1wwt s GLU 25 CO 0.24 -0.21 1.80 -1.13 0.02 0.00 0.00 175.26 175.97 1wwt n SER 26 N 4.62 3.27 -2.75 -0.19 3.41 -0.26 -0.01 113.62 121.71 1wwt n SER 26 Ca -0.17 1.00 -0.17 0.00 -0.26 0.00 0.00 58.87 59.27 1wwt n SER 26 Cb 0.50 -1.36 0.06 0.00 -0.26 0.00 0.00 64.21 63.15 1wwt n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wwt n TRP 27 N 5.84 -2.10 0.09 7.33 7.02 -0.89 -4.09 117.44 130.64 1wwt n TRP 27 Ca 0.22 0.74 0.00 0.00 -1.02 0.00 0.00 57.50 57.44 1wwt n TRP 27 Cb 0.28 -3.94 0.00 0.00 -2.42 0.00 0.00 31.31 25.23 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 -3.77 0.00 -3.65 -0.99 5.02 0.99 -4.97 118.16 110.77 1wwt n LYS 28 Ca 0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1wwt n LYS 28 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 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 -1.51 5.18 0.42 -0.18 2.01 -0.41 -4.88 115.64 116.26 1wwt s THR 29 Ca 0.00 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1wwt s THR 29 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1wwt s THR 29 CO 0.00 -0.20 0.04 0.42 -0.69 0.00 0.00 174.62 174.19 1wwt s THR 30 N -1.90 1.31 -0.00 -0.82 -4.23 -1.26 -1.20 115.64 107.54 1wwt s THR 30 Ca 0.39 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1wwt s THR 30 Cb -0.11 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.32 1wwt s THR 30 CO 0.29 0.00 1.68 1.55 -0.54 0.00 0.00 174.62 177.60 1wwt h PRO 31 N 1.73 0.00 -0.18 3.99 0.13 -1.74 -2.72 132.00 133.21 1wwt h PRO 31 Ca -0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 1wwt h PRO 31 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1wwt h PRO 31 CO 0.72 0.31 -0.54 -0.92 -0.23 0.00 0.00 178.00 177.35 1wwt h TYR 32 N 0.00 0.66 0.17 1.56 3.20 -1.88 -3.00 116.97 117.69 1wwt h TYR 32 Ca -0.00 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 1wwt h TYR 32 Cb 0.99 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1wwt h TYR 32 CO 0.00 0.95 -0.08 1.96 -1.64 0.00 0.00 178.16 179.35 1wwt h GLN 33 N 0.41 -0.22 -0.46 1.82 4.20 -1.83 -2.82 115.11 116.20 1wwt h GLN 33 Ca 0.01 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1wwt h GLN 33 Cb 1.07 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.84 1wwt h GLN 33 CO 0.10 0.18 -0.28 0.82 -0.67 0.00 0.00 178.83 178.98 1wwt h ILE 34 N -0.90 0.00 -0.87 2.54 2.04 -1.56 1.24 117.51 120.00 1wwt h ILE 34 Ca -0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.06 1wwt h ILE 34 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 1wwt h ILE 34 CO 0.04 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.50 1wwt h ALA 35 N -0.30 1.32 -0.12 1.87 0.00 -1.65 0.51 119.26 120.88 1wwt h ALA 35 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1wwt h ALA 35 Cb 0.19 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wwt h ALA 35 CO -0.44 -0.39 0.02 0.00 0.00 0.00 0.00 179.25 178.44 1wwt h GLY 37 N 0.07 0.02 0.00 0.00 0.00 0.62 -1.89 103.07 101.88 1wwt h GLY 37 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1wwt h GLY 37 CO -0.08 -0.21 0.00 1.39 0.00 0.00 0.00 176.54 177.64 1wwt n ILE 38 N -5.46 0.00 -3.62 2.60 -0.00 -0.91 -4.79 119.36 107.18 1wwt n ILE 38 Ca 0.08 1.41 -0.11 0.00 -0.00 0.00 0.00 62.75 64.13 1wwt n ILE 38 Cb 0.38 -1.93 -0.07 0.00 -0.00 0.00 0.00 39.64 38.03 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1wwt s SER 39 N -2.98 -0.50 -0.25 4.38 0.15 -0.71 -5.11 113.70 108.69 1wwt s SER 39 Ca 0.00 0.87 -0.28 0.00 0.70 0.00 0.00 55.95 57.24 1wwt s SER 39 Cb 0.00 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1wwt s SER 39 CO 0.00 -0.23 2.09 0.00 1.20 0.00 0.00 173.24 176.30 1wwt s GLN 40 N -0.07 3.21 0.00 5.44 -2.07 -1.25 -2.57 119.66 122.34 1wwt s GLN 40 Ca 0.01 1.87 0.00 0.00 -1.82 0.00 0.00 55.36 55.42 1wwt s GLN 40 Cb -0.04 -4.32 0.00 0.00 -1.09 0.00 0.00 33.01 27.56 1wwt s GLN 40 CO -0.03 -2.02 0.00 0.41 -1.32 0.00 0.00 175.29 172.34 1wwt n GLY 41 N 5.64 3.99 0.32 2.60 0.00 -1.26 -4.98 105.19 111.49 1wwt n GLY 41 Ca 0.28 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.82 -2.13 0.99 7.12 -1.79 0.31 115.31 119.00 1wwt h LEU 42 Ca 0.00 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1wwt h LEU 42 Cb 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1wwt h LEU 42 CO 0.00 -0.39 0.10 0.00 -0.13 0.00 0.00 178.44 178.03 1wwt h ALA 43 N 0.14 1.09 0.00 1.25 0.00 -1.78 0.63 119.26 120.60 1wwt h ALA 43 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1wwt h ALA 43 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wwt h ALA 43 CO -0.15 -0.09 -0.74 0.22 0.00 0.00 0.00 179.25 178.49 1wwt h ASP 44 N 0.00 0.00 -2.39 0.00 3.58 -0.77 -3.31 116.42 113.53 1wwt h ASP 44 Ca 0.00 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.74 1wwt h ASP 44 Cb 0.21 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 40.92 1wwt h ASP 44 CO 0.00 0.74 0.24 0.59 -2.88 0.00 0.00 179.24 177.93 1wwt n ASN 45 N -3.48 5.77 -3.96 2.28 4.13 0.22 -4.99 115.26 115.22 1wwt n ASN 45 Ca -0.00 -3.59 -0.09 0.00 1.68 0.00 0.00 54.58 52.57 1wwt n ASN 45 Cb 0.76 -0.94 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wwt s THR 46 N -3.74 0.07 0.00 3.41 2.01 -1.24 -4.83 115.64 111.33 1wwt s THR 46 Ca 0.40 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1wwt s THR 46 Cb 0.18 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1wwt s THR 46 CO -0.06 -0.33 0.00 1.33 -0.69 0.00 0.00 174.62 174.87 1wwt n VAL 47 N -0.20 0.00 -5.23 3.82 0.24 -0.79 -4.95 118.33 111.23 1wwt n VAL 47 Ca -0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 1wwt n VAL 47 Cb 0.63 -0.23 -0.17 0.00 -1.47 0.00 0.00 33.84 32.60 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wwt s ILE 48 N 0.00 2.06 -0.04 1.34 -1.09 -1.22 -4.86 121.20 117.39 1wwt s ILE 48 Ca 0.00 -1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 57.20 1wwt s ILE 48 Cb 0.00 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 1wwt s ILE 48 CO 0.00 0.56 0.51 0.00 -1.23 0.00 0.00 174.94 174.79 1wwt s ALA 49 N 0.20 3.53 -0.21 9.38 0.00 -1.03 -1.87 121.76 131.76 1wwt s ALA 49 Ca -0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 1wwt s ALA 49 Cb -0.17 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1wwt s ALA 49 CO 0.08 0.17 0.15 0.15 0.00 0.00 0.00 175.76 176.31 1wwt s LYS 50 N -0.10 4.16 -0.44 0.00 1.02 -0.02 0.16 119.74 124.52 1wwt s LYS 50 Ca 0.28 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.03 1wwt s LYS 50 Cb -0.17 -3.45 0.12 0.00 -0.52 0.00 0.00 37.83 33.81 1wwt s LYS 50 CO 0.14 0.23 0.23 0.08 -0.92 0.00 0.00 175.35 175.12 1wwt s VAL 51 N 0.55 3.25 -0.10 3.17 1.01 0.50 -2.04 120.40 126.73 1wwt s VAL 51 Ca 0.08 -2.28 -0.00 0.00 0.00 0.00 0.00 61.98 59.78 1wwt s VAL 51 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1wwt s VAL 51 CO -0.00 -0.72 0.01 -3.20 0.00 0.00 0.00 175.10 171.19 1wwt n ASN 52 N 4.33 -1.46 -0.20 3.32 4.05 -0.92 -2.93 115.26 121.44 1wwt n ASN 52 Ca 0.00 -0.01 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 1wwt n ASN 52 Cb 0.40 -0.76 -0.01 0.00 1.23 0.00 0.00 39.78 40.65 1wwt n ASN 52 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1wwt n ASN 53 N 1.67 -3.45 -4.19 1.20 3.02 -1.26 -4.97 115.26 107.28 1wwt n ASN 53 Ca -0.01 0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 1wwt n ASN 53 Cb 0.51 -1.18 -0.16 0.00 -0.61 0.00 0.00 39.78 38.34 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wwt s VAL 54 N -2.05 1.63 0.15 2.41 -7.23 -1.15 -5.07 120.40 109.08 1wwt s VAL 54 Ca 0.00 -0.84 -0.34 0.00 -1.81 0.00 0.00 61.98 58.99 1wwt s VAL 54 Cb 0.00 -1.38 -0.15 0.00 0.56 0.00 0.00 36.38 35.41 1wwt s VAL 54 CO 0.00 0.46 1.45 0.52 -0.31 0.00 0.00 175.10 177.22 1wwt n VAL 55 N 2.96 0.17 -3.79 1.32 0.31 -1.26 0.19 118.33 118.22 1wwt n VAL 55 Ca -0.17 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 63.95 1wwt n VAL 55 Cb 0.53 -1.25 -0.16 0.00 -0.91 0.00 0.00 33.84 32.05 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 0.58 0.11 0.54 3.52 -0.11 0.41 -4.69 118.94 119.30 1wwt s TRP 56 Ca 0.79 0.11 -0.21 0.00 1.22 0.00 0.00 56.10 58.02 1wwt s TRP 56 Cb -0.78 -0.32 -0.05 0.00 -1.50 0.00 0.00 33.47 30.82 1wwt s TRP 56 CO 0.43 -0.12 1.19 -0.51 -4.62 0.00 0.00 176.95 173.33 1wwt s ASP 57 N 1.22 5.63 0.16 5.86 1.11 -1.26 -2.47 116.67 126.91 1wwt s ASP 57 Ca -0.07 2.35 -0.10 0.00 0.18 0.00 0.00 52.55 54.91 1wwt s ASP 57 Cb -0.13 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.26 1wwt s ASP 57 CO -0.03 -1.29 1.51 -0.07 1.18 0.00 0.00 175.17 176.47 1wwt h LEU 58 N 1.38 0.98 -4.31 1.23 3.38 -1.90 -3.10 115.31 112.98 1wwt h LEU 58 Ca -0.50 -0.42 -0.35 0.00 0.09 0.00 0.00 57.88 56.70 1wwt h LEU 58 Cb 1.27 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1wwt h LEU 58 CO 0.57 1.22 0.22 -0.67 0.09 0.00 0.00 178.44 179.87 1wwt n ASP 59 N -4.07 5.98 -3.65 -0.43 2.03 -1.26 -3.57 116.55 111.58 1wwt n ASP 59 Ca -0.01 -2.77 -0.07 0.00 0.52 0.00 0.00 54.79 52.45 1wwt n ASP 59 Cb 0.51 -1.36 -0.08 0.00 -0.72 0.00 0.00 41.12 39.48 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 -0.01 0.63 0.43 -0.67 3.52 -1.17 -5.14 118.95 116.55 1wwt s ARG 60 Ca 0.64 1.15 -0.23 0.00 -0.13 0.00 0.00 55.73 57.16 1wwt s ARG 60 Cb 0.33 0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 33.78 1wwt s ARG 60 CO -0.09 -0.16 1.05 -1.25 -0.81 0.00 0.00 175.30 174.04 1wwt s PRO 61 N 1.66 4.01 1.17 5.12 0.04 -1.26 -3.95 135.00 141.80 1wwt s PRO 61 Ca -0.10 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 1wwt s PRO 61 Cb -0.06 -2.36 0.30 0.00 0.04 0.00 0.00 34.50 32.42 1wwt s PRO 61 CO -0.18 -0.26 0.69 1.28 0.04 0.00 0.00 177.00 178.56 1wwt n LEU 62 N -0.43 0.00 -0.02 -3.56 7.99 -0.34 -4.63 117.00 116.02 1wwt n LEU 62 Ca 0.07 -0.69 -0.02 0.00 -0.01 0.00 0.00 56.01 55.35 1wwt n LEU 62 Cb 0.51 -0.79 -0.02 0.00 -0.11 0.00 0.00 43.42 43.01 1wwt n LEU 62 CO 0.43 -2.57 -0.62 -0.62 -1.51 0.00 0.00 177.39 172.50 1wwt n GLU 63 N -5.03 1.57 -2.82 3.23 1.02 -1.26 -2.10 120.64 115.25 1wwt n GLU 63 Ca 0.11 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 1wwt n GLU 63 Cb 0.47 -1.08 0.01 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.40 0.26 -1.50 3.49 0.28 -1.26 -4.58 120.64 114.93 1wwt n GLU 64 Ca -0.06 -0.66 -0.54 0.00 -0.16 0.00 0.00 57.16 55.74 1wwt n GLU 64 Cb 0.59 0.93 -0.08 0.00 1.43 0.00 0.00 31.44 34.31 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 -0.85 2.04 -2.81 -1.84 5.75 -1.26 -4.78 116.55 112.80 1wwt n ASP 65 Ca 0.00 0.66 -0.12 0.00 -0.01 0.00 0.00 54.79 55.32 1wwt n ASP 65 Cb 0.31 -1.18 -0.01 0.00 -1.03 0.00 0.00 41.12 39.21 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wwt s THR 67 N -2.60 4.69 -0.19 0.00 -4.23 -1.26 -3.10 115.64 108.96 1wwt s THR 67 Ca 0.24 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1wwt s THR 67 Cb -0.02 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1wwt s THR 67 CO 0.17 0.15 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.06 1wwt s LEU 68 N -2.35 2.58 -0.21 4.79 2.96 -0.14 -2.17 118.68 124.14 1wwt s LEU 68 Ca 0.30 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1wwt s LEU 68 Cb -0.12 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 45.01 1wwt s LEU 68 CO 0.22 0.02 0.00 -0.70 -1.32 0.00 0.00 176.35 174.58 1wwt s GLU 69 N 1.19 1.03 -0.21 1.98 2.56 -0.87 -2.04 118.70 122.34 1wwt s GLU 69 Ca 0.02 -0.66 -0.26 0.00 0.00 0.00 0.00 54.97 54.06 1wwt s GLU 69 Cb -0.14 -2.30 -0.00 0.00 2.00 0.00 0.00 34.13 33.69 1wwt s GLU 69 CO -0.05 -0.64 0.90 -0.51 -0.56 0.00 0.00 175.26 174.41 1wwt s LEU 70 N 1.67 4.12 0.54 2.70 2.01 -1.26 -0.84 118.68 127.61 1wwt s LEU 70 Ca -0.03 1.19 -0.17 0.00 0.01 0.00 0.00 54.13 55.13 1wwt s LEU 70 Cb -0.18 -3.32 -0.06 0.00 0.01 0.00 0.00 46.19 42.64 1wwt s LEU 70 CO -0.08 -0.53 1.02 -0.76 1.01 0.00 0.00 176.35 177.02 1wwt s LEU 71 N 2.74 3.63 0.03 1.79 1.02 -0.78 -4.91 118.68 122.20 1wwt s LEU 71 Ca 0.39 1.75 0.04 0.00 0.02 0.00 0.00 54.13 56.33 1wwt s LEU 71 Cb -0.16 -4.53 -0.24 0.00 0.02 0.00 0.00 46.19 41.28 1wwt s LEU 71 CO 0.09 -0.85 0.94 0.07 0.02 0.00 0.00 176.35 176.61 1wwt h LYS 72 N 0.90 0.10 0.00 1.70 -0.00 -1.90 -2.10 116.57 115.27 1wwt h LYS 72 Ca -0.47 -0.18 0.00 0.00 -0.00 0.00 0.00 60.65 60.00 1wwt h LYS 72 Cb 1.21 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 1wwt h LYS 72 CO 0.59 0.91 0.00 1.19 -0.00 0.00 0.00 179.45 182.15 1wwt n PHE 73 N -3.31 -0.64 -1.46 0.07 3.72 -1.26 -4.62 117.46 109.95 1wwt n PHE 73 Ca -0.11 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.74 1wwt n PHE 73 Cb 1.01 0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 39.70 1wwt n PHE 73 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1wwt n GLU 74 N -1.91 0.02 -3.10 -1.08 2.13 -1.26 -4.74 120.64 110.70 1wwt n GLU 74 Ca 0.00 0.01 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1wwt n GLU 74 Cb 0.00 -1.31 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 1wwt n GLU 74 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wwt n ASP 75 N 1.71 2.16 0.00 4.31 8.00 -1.26 -3.42 116.55 128.05 1wwt n ASP 75 Ca 0.19 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.44 1wwt n ASP 75 Cb 0.15 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1wwt n ASP 75 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1wwt n GLU 76 N 0.11 0.00 0.02 -1.24 2.13 -1.26 -3.90 120.64 116.50 1wwt n GLU 76 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1wwt n GLU 76 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1wwt n GLU 77 N 0.00 0.00 -3.62 5.31 2.13 -1.26 -5.11 120.64 118.09 1wwt n GLU 77 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1wwt n GLU 77 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wwt s ALA 78 N -1.84 -2.11 0.00 4.31 0.00 -1.25 -5.00 121.76 115.87 1wwt s ALA 78 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1wwt s ALA 78 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1wwt s ALA 78 CO 0.00 -0.43 0.00 0.94 0.00 0.00 0.00 175.76 176.27 1wwt n GLN 79 N 0.23 0.00 -2.16 0.00 7.27 -1.26 -4.77 117.38 116.69 1wwt n GLN 79 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 1wwt n GLN 79 Cb 0.58 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.18 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wwt s ALA 80 N 0.00 1.92 0.38 1.69 0.00 -1.26 -3.85 121.76 120.64 1wwt s ALA 80 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1wwt s ALA 80 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1wwt s ALA 80 CO 0.00 -4.60 0.00 1.55 0.00 0.00 0.00 175.76 172.71 1wwt n VAL 81 N 7.64 0.00 -2.58 0.00 3.14 -1.26 -4.57 118.33 120.69 1wwt n VAL 81 Ca 0.40 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.75 1wwt n VAL 81 Cb 0.48 -0.04 -0.02 0.00 -1.06 0.00 0.00 33.84 33.20 1wwt n VAL 81 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wwt n TYR 82 N -3.29 -3.96 0.00 1.45 9.36 -1.25 -5.03 117.16 114.44 1wwt n TYR 82 Ca 0.00 2.01 -0.03 0.00 3.32 0.00 0.00 57.90 63.20 1wwt n TYR 82 Cb 0.00 -3.83 -0.01 0.00 -0.63 0.00 0.00 39.34 34.87 1wwt n TYR 82 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wwt n SER 83 N 1.06 0.88 -1.51 2.98 7.64 -1.26 -5.15 113.62 118.27 1wwt n SER 83 Ca -0.18 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 59.83 1wwt n SER 83 Cb 0.27 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 2.93 1.14 3.61 0.23 0.00 -1.26 -5.12 105.19 106.73 1wwt n GLY 84 Ca -0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.01 3.71 -0.52 1.61 0.04 -1.26 -4.95 135.00 131.61 1wwt s PRO 85 Ca 0.05 1.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 1wwt s PRO 85 Cb -0.01 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.57 1wwt s PRO 85 CO 0.01 -1.39 1.49 0.45 0.04 0.00 0.00 177.00 177.60 1wwt s SER 86 N 3.53 6.05 0.16 6.66 0.15 -1.26 -4.98 113.70 124.01 1wwt s SER 86 Ca 0.60 0.46 -0.28 0.00 0.70 0.00 0.00 55.95 57.43 1wwt s SER 86 Cb -0.15 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.54 1wwt s SER 86 CO 0.29 -1.73 0.88 -0.55 1.20 0.00 0.00 173.24 173.33 1wwt s SER 87 N 4.86 7.48 0.00 5.45 0.15 -1.26 -5.29 113.70 125.09 1wwt s SER 87 Ca 0.58 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.99 1wwt s SER 87 Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wwt s SER 87 CO 0.26 0.09 0.34 0.61 1.20 0.00 0.00 173.24 175.74