#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 -7.40 -4.77 1.61 7.64 -1.26 -4.75 113.62 104.70 1wwt n SER 2 Ca 0.00 0.89 -0.38 0.00 1.01 0.00 0.00 58.87 60.39 1wwt n SER 2 Cb 0.00 -4.24 -0.01 0.00 -1.01 0.00 0.00 64.21 58.95 1wwt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwt s SER 3 N -6.59 6.25 0.47 6.43 0.15 -1.26 -5.04 113.70 114.12 1wwt s SER 3 Ca 0.00 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.02 1wwt s SER 3 Cb 0.00 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1wwt s SER 3 CO 0.00 -0.86 0.35 0.61 1.20 0.00 0.00 173.24 174.53 1wwt n GLY 4 N 0.53 0.86 2.26 9.45 0.00 -1.26 -4.94 105.19 112.09 1wwt n GLY 4 Ca 0.06 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.94 -9.33 -3.15 1.61 7.64 -1.26 -5.07 113.62 101.12 1wwt n SER 5 Ca 0.06 1.72 0.05 0.00 1.01 0.00 0.00 58.87 61.70 1wwt n SER 5 Cb 0.21 -5.12 -0.01 0.00 -1.01 0.00 0.00 64.21 58.28 1wwt n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wwt s SER 6 N -0.57 -1.02 -0.22 6.43 0.01 -1.26 -5.16 113.70 111.91 1wwt s SER 6 Ca 0.00 0.56 -0.28 0.00 1.31 0.00 0.00 55.95 57.54 1wwt s SER 6 Cb 0.00 1.82 0.14 0.00 0.21 0.00 0.00 66.02 68.19 1wwt s SER 6 CO 0.00 -0.19 1.07 -0.83 0.41 0.00 0.00 173.24 173.70 1wwt s GLY 7 N 2.90 -0.15 -0.29 3.44 0.00 -1.26 -5.17 107.32 106.79 1wwt s GLY 7 Ca 0.12 2.43 -0.16 0.00 0.00 0.00 0.00 44.72 47.12 1wwt s GLY 7 CO -0.18 1.39 0.98 0.51 0.00 0.00 0.00 173.10 175.79 1wwt s ASP 8 N -0.55 -0.53 1.13 1.64 -4.77 -1.26 -5.17 116.67 107.16 1wwt s ASP 8 Ca 0.01 0.81 -0.16 0.00 -3.30 0.00 0.00 52.55 49.92 1wwt s ASP 8 Cb -0.02 1.35 0.25 0.00 -1.09 0.00 0.00 42.92 43.41 1wwt s ASP 8 CO -0.03 -0.12 1.08 -0.94 0.70 0.00 0.00 175.17 175.86 1wwt s SER 9 N 1.68 1.50 -0.05 2.11 1.04 -1.26 -5.01 113.70 113.70 1wwt s SER 9 Ca -0.07 0.96 -0.30 0.00 0.48 0.00 0.00 55.95 57.02 1wwt s SER 9 Cb -0.04 -1.46 0.11 0.00 0.10 0.00 0.00 66.02 64.73 1wwt s SER 9 CO -0.16 -3.80 0.95 -1.59 0.98 0.00 0.00 173.24 169.62 1wwt s LYS 10 N -5.09 0.72 -0.44 4.02 -2.85 -1.25 -4.94 119.74 109.90 1wwt s LYS 10 Ca 0.68 -0.20 -0.29 0.00 -1.00 0.00 0.00 55.97 55.16 1wwt s LYS 10 Cb -0.15 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1wwt s LYS 10 CO 0.58 -0.30 1.43 -1.25 0.10 0.00 0.00 175.35 175.90 1wwt s PRO 11 N -2.71 3.51 0.46 1.78 0.04 -1.26 -0.68 135.00 136.14 1wwt s PRO 11 Ca 0.04 0.86 0.08 0.00 0.04 0.00 0.00 61.00 62.02 1wwt s PRO 11 Cb -0.01 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1wwt s PRO 11 CO -0.07 -1.65 0.48 0.96 0.04 0.00 0.00 177.00 176.77 1wwt s ILE 12 N 5.62 2.53 -0.04 0.56 -4.36 0.54 -4.94 121.20 121.10 1wwt s ILE 12 Ca 0.60 -1.24 0.05 0.00 -0.26 0.00 0.00 60.65 59.80 1wwt s ILE 12 Cb -0.13 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 1wwt s ILE 12 CO 0.31 0.00 -0.19 -0.75 0.24 0.00 0.00 174.94 174.55 1wwt s LYS 13 N -4.27 1.93 -0.02 0.37 2.20 -1.26 -0.67 119.74 118.01 1wwt s LYS 13 Ca 0.50 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1wwt s LYS 13 Cb -0.05 -1.68 -0.01 0.00 -1.51 0.00 0.00 37.83 34.58 1wwt s LYS 13 CO 0.30 0.30 -0.15 0.08 -0.36 0.00 0.00 175.35 175.52 1wwt s VAL 14 N -0.07 1.20 -0.16 4.02 1.01 -0.95 -2.12 120.40 123.33 1wwt s VAL 14 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1wwt s VAL 14 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1wwt s VAL 14 CO 0.02 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.62 1wwt s THR 15 N -0.12 4.66 0.81 3.92 2.01 -1.20 0.36 115.64 126.08 1wwt s THR 15 Ca 0.01 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1wwt s THR 15 Cb -0.08 -3.07 0.08 0.00 0.01 0.00 0.00 72.50 69.43 1wwt s THR 15 CO 0.00 0.49 1.09 -0.76 -0.69 0.00 0.00 174.62 174.76 1wwt s LEU 16 N 0.13 2.83 0.00 4.42 1.43 0.18 -1.11 118.68 126.56 1wwt s LEU 16 Ca 0.04 1.74 0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1wwt s LEU 16 Cb -0.12 -4.37 0.99 0.00 0.03 0.00 0.00 46.19 42.72 1wwt s LEU 16 CO 0.01 -2.21 1.48 -0.81 0.23 0.00 0.00 176.35 175.04 1wwt n PRO 17 N -3.63 0.75 -0.00 1.29 -0.04 -1.16 -1.88 135.00 130.32 1wwt n PRO 17 Ca 0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.54 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.85 0.80 0.00 3.54 2.03 -1.26 -4.98 116.55 115.83 1wwt n ASP 18 Ca 0.12 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1wwt n ASP 18 Cb 0.06 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wwt n GLY 19 N 1.43 1.17 3.46 0.27 0.00 -0.79 -5.09 105.19 105.64 1wwt n GLY 19 Ca 0.01 -0.20 -0.30 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 -1.61 -4.36 1.61 4.76 -1.26 -4.60 118.16 112.70 1wwt n LYS 20 Ca 0.00 -0.43 -0.21 0.00 -2.87 0.00 0.00 58.31 54.80 1wwt n LYS 20 Cb 0.00 -2.07 -0.11 0.00 -1.84 0.00 0.00 35.03 31.01 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 -4.15 1.35 0.30 1.97 -0.21 -1.26 0.51 119.66 118.17 1wwt s GLN 21 Ca 0.64 -1.53 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1wwt s GLN 21 Cb -0.22 -1.31 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 1wwt s GLN 21 CO 0.64 0.25 0.31 0.14 -2.12 0.00 0.00 175.29 174.51 1wwt s VAL 22 N -2.46 0.00 -0.09 1.09 -7.23 0.16 -4.87 120.40 107.00 1wwt s VAL 22 Ca 0.20 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1wwt s VAL 22 Cb -0.04 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1wwt s VAL 22 CO 0.08 0.00 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.88 1wwt s ASP 23 N -3.27 3.66 0.33 4.85 1.01 -1.26 -2.25 116.67 119.74 1wwt s ASP 23 Ca 0.37 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 53.32 1wwt s ASP 23 Cb 0.03 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 1wwt s ASP 23 CO 0.21 0.23 0.30 0.00 0.21 0.00 0.00 175.17 176.12 1wwt s ALA 24 N -0.07 1.76 -0.02 5.23 0.00 0.16 -4.90 121.76 123.91 1wwt s ALA 24 Ca -0.04 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.90 1wwt s ALA 24 Cb -0.14 1.45 0.02 0.00 0.00 0.00 0.00 23.12 24.44 1wwt s ALA 24 CO 0.04 -0.68 -0.02 -1.21 0.00 0.00 0.00 175.76 173.90 1wwt s GLU 25 N -3.40 0.37 0.22 0.00 2.02 -1.26 0.20 118.70 116.85 1wwt s GLU 25 Ca 0.40 -0.03 -0.32 0.00 0.02 0.00 0.00 54.97 55.05 1wwt s GLU 25 Cb 0.02 -0.45 -0.11 0.00 0.10 0.00 0.00 34.13 33.68 1wwt s GLU 25 CO 0.27 -0.05 1.67 -1.54 0.02 0.00 0.00 175.26 175.63 1wwt s SER 26 N 0.59 6.42 -1.53 -0.19 1.04 0.15 -0.88 113.70 119.30 1wwt s SER 26 Ca -0.06 2.84 -0.05 0.00 0.48 0.00 0.00 55.95 59.15 1wwt s SER 26 Cb -0.09 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1wwt s SER 26 CO -0.01 -0.93 0.66 0.79 0.98 0.00 0.00 173.24 174.73 1wwt n TRP 27 N 3.63 -2.06 0.10 5.02 7.02 -0.43 -3.90 117.44 126.83 1wwt n TRP 27 Ca 0.14 0.57 0.00 0.00 -1.02 0.00 0.00 57.50 57.19 1wwt n TRP 27 Cb 0.36 -4.46 0.00 0.00 -2.42 0.00 0.00 31.31 24.79 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 -4.12 0.00 -4.04 -0.99 5.02 -0.24 -4.94 118.16 108.85 1wwt n LYS 28 Ca -0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 1wwt n LYS 28 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.56 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 -1.66 4.97 0.50 -0.18 2.01 -0.06 -4.93 115.64 116.30 1wwt s THR 29 Ca 0.00 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1wwt s THR 29 Cb 0.00 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 1wwt s THR 29 CO 0.00 0.36 0.20 0.42 -0.69 0.00 0.00 174.62 174.91 1wwt s THR 30 N -1.22 1.60 0.18 -0.82 -4.23 -1.26 -2.03 115.64 107.86 1wwt s THR 30 Ca 0.23 -1.74 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1wwt s THR 30 Cb -0.12 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1wwt s THR 30 CO 0.15 0.00 1.53 1.55 -0.54 0.00 0.00 174.62 177.30 1wwt h PRO 31 N 1.14 0.00 -0.12 3.99 0.13 -1.74 -2.75 132.00 132.65 1wwt h PRO 31 Ca -0.41 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1wwt h PRO 31 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wwt h PRO 31 CO 0.67 0.67 -0.21 -0.92 -0.23 0.00 0.00 178.00 177.98 1wwt h TYR 32 N 0.00 0.22 0.08 1.56 3.20 -1.88 -2.52 116.97 117.62 1wwt h TYR 32 Ca -0.01 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1wwt h TYR 32 Cb 1.27 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1wwt h TYR 32 CO 0.00 0.40 -0.04 1.96 -1.64 0.00 0.00 178.16 178.84 1wwt h GLN 33 N 0.19 -0.11 -0.98 1.82 4.20 -1.83 -3.15 115.11 115.25 1wwt h GLN 33 Ca 0.03 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.93 1wwt h GLN 33 Cb 0.48 0.02 -0.17 0.00 0.30 0.00 0.00 27.48 28.11 1wwt h GLN 33 CO 0.03 0.15 -0.31 0.82 -0.67 0.00 0.00 178.83 178.85 1wwt h ILE 34 N -1.00 0.01 -0.02 2.54 2.04 -1.49 0.37 117.51 119.96 1wwt h ILE 34 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1wwt h ILE 34 Cb 0.30 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1wwt h ILE 34 CO 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.65 1wwt h ALA 35 N 1.70 -0.93 -0.94 1.87 0.00 -1.57 0.13 119.26 119.53 1wwt h ALA 35 Ca 0.41 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.52 1wwt h ALA 35 Cb 0.66 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 19.24 1wwt h ALA 35 CO -1.00 -1.09 0.22 0.00 0.00 0.00 0.00 179.25 177.38 1wwt n GLY 37 N -1.40 -2.24 0.01 0.00 0.00 0.46 -1.24 105.19 100.78 1wwt n GLY 37 Ca 0.25 1.10 -0.00 0.00 0.00 0.00 0.00 46.02 47.37 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 -2.17 -0.61 5.03 -0.49 -3.43 117.51 115.85 1wwt h ILE 38 Ca 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.98 1wwt h ILE 38 Cb 0.47 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 34.04 1wwt h ILE 38 CO -0.92 0.00 -0.13 -0.44 -0.68 0.00 0.00 178.15 175.98 1wwt s SER 39 N -2.95 -0.85 -0.48 1.72 0.01 -0.37 -5.10 113.70 105.69 1wwt s SER 39 Ca -0.00 1.37 -0.35 0.00 1.31 0.00 0.00 55.95 58.27 1wwt s SER 39 Cb 0.00 1.56 -0.14 0.00 0.21 0.00 0.00 66.02 67.66 1wwt s SER 39 CO 0.02 -0.23 2.27 1.67 0.41 0.00 0.00 173.24 177.38 1wwt n GLN 40 N 4.79 0.72 0.00 12.44 7.27 -1.16 -2.00 117.38 139.45 1wwt n GLN 40 Ca -0.17 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1wwt n GLN 40 Cb 0.54 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.95 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wwt n GLY 41 N 6.68 3.13 0.44 1.69 0.00 -1.26 -4.99 105.19 110.87 1wwt n GLY 41 Ca 0.47 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.59 -0.43 0.99 6.46 -1.69 0.99 115.31 120.04 1wwt h LEU 42 Ca 0.00 0.20 0.05 0.00 -0.12 0.00 0.00 57.88 58.01 1wwt h LEU 42 Cb 0.00 0.64 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 1wwt h LEU 42 CO 0.00 -0.45 -0.48 0.00 -0.62 0.00 0.00 178.44 176.89 1wwt h ALA 43 N -0.06 -0.67 -0.77 1.25 0.00 -1.80 0.78 119.26 117.98 1wwt h ALA 43 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1wwt h ALA 43 Cb 0.65 1.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.41 1wwt h ALA 43 CO -0.46 -0.92 -0.33 -0.44 0.00 0.00 0.00 179.25 177.10 1wwt h ASP 44 N -0.28 -1.19 -2.53 0.00 5.19 -1.69 -2.80 116.42 113.12 1wwt h ASP 44 Ca 0.07 0.26 -0.73 0.00 -0.62 0.00 0.00 57.03 56.02 1wwt h ASP 44 Cb 0.48 0.63 -0.19 0.00 0.18 0.00 0.00 39.33 40.42 1wwt h ASP 44 CO -0.56 -0.29 0.96 0.20 -3.12 0.00 0.00 179.24 176.43 1wwt s ASN 45 N -5.25 6.89 -0.02 6.45 -0.87 0.27 -4.95 114.94 117.46 1wwt s ASN 45 Ca -0.14 -2.65 -0.08 0.00 -1.57 0.00 0.00 52.86 48.42 1wwt s ASN 45 Cb 0.19 -2.37 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1wwt s ASN 45 CO 0.71 -0.82 0.16 -0.89 -2.57 0.00 0.00 177.10 173.70 1wwt s THR 46 N 1.64 0.06 0.00 1.60 2.01 -1.06 -4.72 115.64 115.17 1wwt s THR 46 Ca 0.36 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1wwt s THR 46 Cb -0.05 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1wwt s THR 46 CO -0.05 -0.27 0.00 0.52 -0.69 0.00 0.00 174.62 174.13 1wwt n VAL 47 N 1.86 0.00 -3.73 3.82 0.31 -0.89 -5.05 118.33 114.65 1wwt n VAL 47 Ca -0.20 0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 64.31 1wwt n VAL 47 Cb 0.56 -1.15 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.60 -0.01 -0.10 2.52 -1.09 -1.25 -4.96 121.20 115.71 1wwt s ILE 48 Ca 0.00 0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.37 1wwt s ILE 48 Cb 0.00 -0.53 -0.04 0.00 -1.58 0.00 0.00 42.46 40.30 1wwt s ILE 48 CO 0.00 0.02 0.20 0.00 -1.23 0.00 0.00 174.94 173.92 1wwt s ALA 49 N 0.61 3.83 -0.01 9.38 0.00 -1.20 -0.45 121.76 133.92 1wwt s ALA 49 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1wwt s ALA 49 Cb -0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1wwt s ALA 49 CO -0.04 0.55 0.17 0.15 0.00 0.00 0.00 175.76 176.60 1wwt s LYS 50 N -0.93 3.39 -0.34 0.00 1.02 -0.25 0.12 119.74 122.74 1wwt s LYS 50 Ca 0.16 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1wwt s LYS 50 Cb -0.13 -3.06 0.11 0.00 -0.52 0.00 0.00 37.83 34.23 1wwt s LYS 50 CO 0.06 0.67 0.13 0.08 -0.92 0.00 0.00 175.35 175.37 1wwt s VAL 51 N -1.31 0.99 0.00 3.17 1.01 0.34 -3.03 120.40 121.57 1wwt s VAL 51 Ca 0.27 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1wwt s VAL 51 Cb -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1wwt s VAL 51 CO 0.18 -0.74 0.00 -3.20 0.00 0.00 0.00 175.10 171.34 1wwt n ASN 52 N 4.49 -1.81 0.00 3.32 2.85 -1.00 -3.18 115.26 119.94 1wwt n ASN 52 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1wwt n ASN 52 Cb 0.40 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 1.73 -2.66 -4.00 1.20 5.15 -1.26 -4.96 115.26 110.47 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 0.20 -0.44 -0.16 0.00 -0.53 0.00 0.00 39.78 38.84 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 0.88 0.18 3.44 -7.23 -1.19 -5.09 120.40 109.38 1wwt s VAL 54 Ca 0.00 -0.37 -0.32 0.00 -1.81 0.00 0.00 61.98 59.48 1wwt s VAL 54 Cb 0.00 -0.80 -0.16 0.00 0.56 0.00 0.00 36.38 35.98 1wwt s VAL 54 CO 0.00 0.28 0.99 0.52 -0.31 0.00 0.00 175.10 176.58 1wwt n VAL 55 N 3.56 1.22 -3.72 1.32 0.31 -1.26 0.13 118.33 119.89 1wwt n VAL 55 Ca -0.21 -0.30 -0.17 0.00 -0.01 0.00 0.00 64.34 63.65 1wwt n VAL 55 Cb 0.53 -0.59 -0.17 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.49 0.00 0.45 3.52 -0.11 0.32 -4.64 118.94 117.98 1wwt s TRP 56 Ca 0.71 0.27 -0.25 0.00 1.22 0.00 0.00 56.10 58.04 1wwt s TRP 56 Cb -0.89 -0.33 -0.09 0.00 -1.50 0.00 0.00 33.47 30.66 1wwt s TRP 56 CO 0.55 -0.16 1.42 -0.25 -4.62 0.00 0.00 176.95 173.89 1wwt n ASP 57 N 4.77 3.27 -0.18 5.86 8.00 -1.26 -3.24 116.55 133.78 1wwt n ASP 57 Ca -0.15 1.12 -0.08 0.00 0.71 0.00 0.00 54.79 56.39 1wwt n ASP 57 Cb 0.50 -1.60 0.05 0.00 -0.02 0.00 0.00 41.12 40.06 1wwt n ASP 57 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wwt h LEU 58 N 2.29 0.98 -4.20 0.64 3.38 -1.93 -2.92 115.31 113.55 1wwt h LEU 58 Ca -0.51 -0.29 -0.34 0.00 0.09 0.00 0.00 57.88 56.83 1wwt h LEU 58 Cb 1.27 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 1wwt h LEU 58 CO 0.61 1.06 0.04 -0.67 0.09 0.00 0.00 178.44 179.57 1wwt n ASP 59 N -4.17 5.90 -3.67 -0.43 -0.08 -1.26 -3.51 116.55 109.34 1wwt n ASP 59 Ca 0.02 -2.86 -0.08 0.00 -1.51 0.00 0.00 54.79 50.36 1wwt n ASP 59 Cb 0.37 -1.30 -0.09 0.00 2.34 0.00 0.00 41.12 42.44 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1wwt s ARG 60 N -0.49 0.48 0.42 -0.67 3.52 -1.10 -5.14 118.95 115.96 1wwt s ARG 60 Ca 0.59 1.03 -0.23 0.00 -0.13 0.00 0.00 55.73 56.98 1wwt s ARG 60 Cb 0.34 0.19 -0.09 0.00 -1.56 0.00 0.00 34.95 33.83 1wwt s ARG 60 CO -0.11 -0.18 1.05 -1.25 -0.81 0.00 0.00 175.30 174.00 1wwt s PRO 61 N 1.87 4.08 1.30 5.12 0.04 -1.26 -4.04 135.00 142.12 1wwt s PRO 61 Ca -0.08 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 1wwt s PRO 61 Cb -0.09 -2.45 0.33 0.00 0.04 0.00 0.00 34.50 32.33 1wwt s PRO 61 CO -0.15 -0.21 0.99 -0.51 0.04 0.00 0.00 177.00 177.16 1wwt s LEU 62 N -2.82 -0.21 -0.10 -3.56 2.01 -0.86 -4.59 118.68 108.55 1wwt s LEU 62 Ca 0.60 1.03 0.05 0.00 0.01 0.00 0.00 54.13 55.82 1wwt s LEU 62 Cb -0.21 -2.66 -0.10 0.00 0.01 0.00 0.00 46.19 43.23 1wwt s LEU 62 CO 0.26 -4.79 -0.02 -0.62 1.01 0.00 0.00 176.35 172.19 1wwt n GLU 63 N -5.26 1.59 -3.79 1.70 1.02 -1.26 -1.31 120.64 113.32 1wwt n GLU 63 Ca 0.09 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1wwt n GLU 63 Cb 0.58 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1wwt n GLU 63 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wwt s GLU 64 N -2.23 0.88 -0.48 3.49 -1.05 -1.26 -4.61 118.70 113.44 1wwt s GLU 64 Ca -0.09 -0.53 -0.46 0.00 -0.15 0.00 0.00 54.97 53.73 1wwt s GLU 64 Cb 0.03 0.27 -0.20 0.00 -0.44 0.00 0.00 34.13 33.80 1wwt s GLU 64 CO 0.34 -0.41 1.63 -0.40 0.95 0.00 0.00 175.26 177.37 1wwt n ASP 65 N -0.79 1.29 -2.41 0.83 5.68 -1.26 -4.83 116.55 115.06 1wwt n ASP 65 Ca -0.04 1.17 -0.09 0.00 -0.50 0.00 0.00 54.79 55.32 1wwt n ASP 65 Cb 0.61 -0.90 -0.01 0.00 -1.14 0.00 0.00 41.12 39.68 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 -2.59 4.86 -0.07 0.00 -4.23 -1.26 -3.22 115.64 109.14 1wwt s THR 67 Ca 0.18 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1wwt s THR 67 Cb -0.02 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1wwt s THR 67 CO 0.13 0.52 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.49 1wwt s LEU 68 N -1.24 3.45 -0.27 4.79 2.96 -0.27 -2.36 118.68 125.74 1wwt s LEU 68 Ca 0.17 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1wwt s LEU 68 Cb -0.12 -1.81 0.16 0.00 0.50 0.00 0.00 46.19 44.92 1wwt s LEU 68 CO 0.07 0.36 0.45 -0.70 -1.32 0.00 0.00 176.35 175.22 1wwt s GLU 69 N -0.96 0.43 -0.14 1.98 2.56 -1.17 -3.00 118.70 118.41 1wwt s GLU 69 Ca 0.14 0.63 -0.27 0.00 0.00 0.00 0.00 54.97 55.47 1wwt s GLU 69 Cb -0.11 -0.13 -0.01 0.00 2.00 0.00 0.00 34.13 35.87 1wwt s GLU 69 CO 0.03 -0.70 0.90 -0.51 -0.56 0.00 0.00 175.26 174.42 1wwt s LEU 70 N 2.65 4.21 0.13 2.70 2.01 -1.26 -1.10 118.68 128.03 1wwt s LEU 70 Ca 0.15 1.32 -0.23 0.00 0.01 0.00 0.00 54.13 55.38 1wwt s LEU 70 Cb -0.15 -3.36 -0.07 0.00 0.01 0.00 0.00 46.19 42.62 1wwt s LEU 70 CO -0.19 -0.40 0.69 -0.76 1.01 0.00 0.00 176.35 176.70 1wwt s LEU 71 N 2.01 4.56 -0.57 1.79 1.02 0.41 -4.97 118.68 122.93 1wwt s LEU 71 Ca 0.42 1.48 0.01 0.00 0.02 0.00 0.00 54.13 56.07 1wwt s LEU 71 Cb -0.17 -3.15 0.43 0.00 0.02 0.00 0.00 46.19 43.32 1wwt s LEU 71 CO 0.15 0.23 1.70 0.29 0.02 0.00 0.00 176.35 178.73 1wwt n LYS 72 N 1.59 3.04 0.00 1.70 4.01 -1.26 -2.10 118.16 125.14 1wwt n LYS 72 Ca -0.07 -3.70 0.00 0.00 -0.51 0.00 0.00 58.31 54.02 1wwt n LYS 72 Cb 0.50 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 1wwt n LYS 72 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1wwt n PHE 73 N -0.75 0.00 -3.96 2.13 -0.00 -1.26 -5.02 117.46 108.60 1wwt n PHE 73 Ca 0.54 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.72 1wwt n PHE 73 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.14 1wwt n PHE 73 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1wwt s GLU 74 N -1.14 2.27 0.00 -4.13 1.03 -1.26 -4.74 118.70 110.73 1wwt s GLU 74 Ca 0.00 -2.00 0.00 0.00 0.03 0.00 0.00 54.97 53.00 1wwt s GLU 74 Cb 0.00 -2.06 0.00 0.00 -0.80 0.00 0.00 34.13 31.27 1wwt s GLU 74 CO 0.00 -0.53 0.00 -3.47 -1.33 0.00 0.00 175.26 169.93 1wwt n ASP 75 N -1.67 0.00 0.00 0.83 2.03 -1.26 -5.18 116.55 111.30 1wwt n ASP 75 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1wwt n ASP 75 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1wwt n ASP 75 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wwt n GLU 76 N 0.00 0.00 -2.22 -0.67 1.02 -1.26 -5.02 120.64 112.49 1wwt n GLU 76 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1wwt n GLU 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wwt n GLU 77 N -0.85 4.25 0.00 3.49 4.07 -1.26 -4.94 120.64 125.41 1wwt n GLU 77 Ca 0.00 -3.61 0.00 0.00 -0.06 0.00 0.00 57.16 53.49 1wwt n GLU 77 Cb 0.00 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 28.65 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wwt n ALA 78 N 2.44 0.00 -0.08 4.31 0.00 -1.26 -4.93 120.51 120.98 1wwt n ALA 78 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1wwt n ALA 78 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 6.62 0.00 0.07 0.00 6.02 -1.26 -3.16 117.38 125.68 1wwt n GLN 79 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1wwt n GLN 79 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwt h ALA 80 N -0.08 0.23 -3.69 -1.58 0.00 -1.95 -3.47 119.26 108.72 1wwt h ALA 80 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1wwt h ALA 80 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wwt h ALA 80 CO 0.00 1.10 0.00 1.33 0.00 0.00 0.00 179.25 181.68 1wwt n VAL 81 N -3.47 0.00 -4.28 0.00 0.24 -1.19 -4.93 118.33 104.70 1wwt n VAL 81 Ca -0.14 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 1wwt n VAL 81 Cb 1.04 -0.62 -0.17 0.00 -1.47 0.00 0.00 33.84 32.62 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1wwt s TYR 82 N 0.67 1.85 -0.23 6.34 1.51 -1.26 -4.66 117.35 121.57 1wwt s TYR 82 Ca 0.00 -0.90 -0.04 0.00 -1.01 0.00 0.00 57.07 55.12 1wwt s TYR 82 Cb 0.00 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1wwt s TYR 82 CO 0.00 -0.50 -0.04 -1.54 -1.11 0.00 0.00 175.55 172.36 1wwt s SER 83 N 1.18 4.32 0.00 2.29 1.04 -1.26 -4.92 113.70 116.35 1wwt s SER 83 Ca -0.03 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1wwt s SER 83 Cb -0.14 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1wwt s SER 83 CO -0.04 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wwt n GLY 84 N 4.78 -0.83 0.18 7.32 0.00 -1.26 -4.98 105.19 110.40 1wwt n GLY 84 Ca -0.18 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1wwt n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwt h PRO 85 N 0.00 0.60 -5.77 1.61 0.13 -2.08 -3.49 132.00 123.00 1wwt h PRO 85 Ca 0.00 -0.59 -0.13 0.00 -0.87 0.00 0.00 66.00 64.41 1wwt h PRO 85 Cb 0.00 0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.29 1wwt h PRO 85 CO 0.00 1.20 -0.83 0.43 -0.23 0.00 0.00 178.00 178.57 1wwt n SER 86 N -4.04 -7.05 -4.65 1.44 7.64 -1.26 -4.88 113.62 100.81 1wwt n SER 86 Ca -0.10 0.39 -0.37 0.00 1.01 0.00 0.00 58.87 59.81 1wwt n SER 86 Cb 0.75 -3.87 0.07 0.00 -1.01 0.00 0.00 64.21 60.15 1wwt n SER 86 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wwt n SER 87 N -0.04 1.09 0.00 6.43 2.88 -1.26 -5.25 113.62 117.48 1wwt n SER 87 Ca 0.03 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wwt n SER 87 Cb 0.49 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42