#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 6.33 -0.35 1.61 1.04 -1.26 -5.03 113.70 116.04 1wwt s SER 2 Ca 0.00 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.86 1wwt s SER 2 Cb 0.00 -2.24 0.10 0.00 0.10 0.00 0.00 66.02 63.99 1wwt s SER 2 CO 0.00 -0.21 0.06 -0.44 0.98 0.00 0.00 173.24 173.63 1wwt s SER 3 N 1.55 4.73 -0.15 7.02 0.01 -1.26 -5.06 113.70 120.53 1wwt s SER 3 Ca 0.17 -2.19 -0.31 0.00 1.31 0.00 0.00 55.95 54.93 1wwt s SER 3 Cb -0.16 -1.61 0.13 0.00 0.21 0.00 0.00 66.02 64.60 1wwt s SER 3 CO 0.09 -0.37 1.09 -0.83 0.41 0.00 0.00 173.24 173.63 1wwt s GLY 4 N 0.86 -0.27 -0.12 3.44 0.00 -1.26 -5.13 107.32 104.84 1wwt s GLY 4 Ca 0.11 1.76 -0.29 0.00 0.00 0.00 0.00 44.72 46.30 1wwt s GLY 4 CO -0.08 0.71 1.42 -0.45 0.00 0.00 0.00 173.10 174.70 1wwt s SER 5 N -1.77 6.83 -0.69 1.64 0.15 -1.26 -4.95 113.70 113.65 1wwt s SER 5 Ca 0.05 1.90 -0.26 0.00 0.70 0.00 0.00 55.95 58.34 1wwt s SER 5 Cb -0.01 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1wwt s SER 5 CO -0.04 -0.83 1.18 -0.44 1.20 0.00 0.00 173.24 174.31 1wwt s SER 6 N 2.52 6.21 0.05 5.45 0.01 -1.26 -4.96 113.70 121.72 1wwt s SER 6 Ca 0.62 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 57.30 1wwt s SER 6 Cb -0.26 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1wwt s SER 6 CO 0.20 -1.67 0.20 -0.83 0.41 0.00 0.00 173.24 171.56 1wwt s GLY 7 N 3.57 0.04 -0.29 3.44 0.00 -1.26 -5.16 107.32 107.66 1wwt s GLY 7 Ca 0.33 -0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 1wwt s GLY 7 CO 0.16 -0.53 1.01 0.51 0.00 0.00 0.00 173.10 174.25 1wwt s ASP 8 N -2.28 -0.47 0.25 1.64 -4.77 -1.26 -5.15 116.67 104.63 1wwt s ASP 8 Ca -0.03 0.80 -0.30 0.00 -3.30 0.00 0.00 52.55 49.73 1wwt s ASP 8 Cb 0.00 1.05 -0.09 0.00 -1.09 0.00 0.00 42.92 42.80 1wwt s ASP 8 CO -0.06 -0.13 0.98 -0.55 0.70 0.00 0.00 175.17 176.11 1wwt s SER 9 N 0.92 7.56 0.05 2.11 0.15 -1.26 -4.95 113.70 118.28 1wwt s SER 9 Ca -0.04 2.02 -0.01 0.00 0.70 0.00 0.00 55.95 58.62 1wwt s SER 9 Cb -0.04 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1wwt s SER 9 CO -0.12 0.09 -0.03 -1.59 1.20 0.00 0.00 173.24 172.79 1wwt s LYS 10 N -1.24 0.61 -0.41 5.44 -2.85 -1.25 -4.94 119.74 115.09 1wwt s LYS 10 Ca 0.42 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.93 1wwt s LYS 10 Cb -0.27 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.66 1wwt s LYS 10 CO 0.34 -0.09 1.40 -1.25 0.10 0.00 0.00 175.35 175.85 1wwt s PRO 11 N -3.67 3.59 0.42 1.78 0.04 -1.26 -1.02 135.00 134.88 1wwt s PRO 11 Ca 0.05 0.95 0.08 0.00 0.04 0.00 0.00 61.00 62.12 1wwt s PRO 11 Cb 0.06 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1wwt s PRO 11 CO -0.09 -1.54 0.42 0.96 0.04 0.00 0.00 177.00 176.79 1wwt s ILE 12 N 5.37 2.69 -0.16 0.56 -4.36 0.54 -4.95 121.20 120.89 1wwt s ILE 12 Ca 0.61 -1.28 0.01 0.00 -0.26 0.00 0.00 60.65 59.73 1wwt s ILE 12 Cb -0.14 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.62 1wwt s ILE 12 CO 0.32 0.00 -0.20 -0.54 0.24 0.00 0.00 174.94 174.76 1wwt s LYS 13 N -4.18 2.96 -0.19 0.37 -0.14 -1.26 -0.97 119.74 116.32 1wwt s LYS 13 Ca 0.49 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 54.27 1wwt s LYS 13 Cb -0.04 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1wwt s LYS 13 CO 0.29 -0.15 -0.12 0.08 -0.76 0.00 0.00 175.35 174.70 1wwt s VAL 14 N 1.14 2.82 -0.09 3.17 1.01 -0.39 -2.82 120.40 125.24 1wwt s VAL 14 Ca 0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1wwt s VAL 14 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1wwt s VAL 14 CO -0.09 0.48 0.40 -0.89 0.00 0.00 0.00 175.10 175.00 1wwt s THR 15 N 1.25 5.17 0.80 3.92 2.01 -1.22 -0.17 115.64 127.39 1wwt s THR 15 Ca 0.03 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.72 1wwt s THR 15 Cb -0.14 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.71 1wwt s THR 15 CO -0.05 0.43 1.09 -0.76 -0.69 0.00 0.00 174.62 174.63 1wwt s LEU 16 N -0.01 2.80 0.00 4.42 1.43 0.11 -0.91 118.68 126.52 1wwt s LEU 16 Ca 0.23 1.65 0.17 0.00 -1.03 0.00 0.00 54.13 55.15 1wwt s LEU 16 Cb -0.15 -4.30 1.02 0.00 0.03 0.00 0.00 46.19 42.79 1wwt s LEU 16 CO 0.10 -2.10 1.49 -0.81 0.23 0.00 0.00 176.35 175.26 1wwt n PRO 17 N -3.55 0.75 -0.00 1.29 -0.04 -0.92 -1.88 135.00 130.65 1wwt n PRO 17 Ca 0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 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 0.85 0.00 3.54 2.03 -1.26 -4.98 116.55 115.87 1wwt n ASP 18 Ca 0.13 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1wwt n ASP 18 Cb 0.06 1.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.83 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 1.44 1.10 3.34 0.27 0.00 -0.79 -5.10 105.19 105.45 1wwt n GLY 19 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.70 -4.18 1.61 4.76 -1.26 -4.58 118.16 112.82 1wwt n LYS 20 Ca 0.00 -0.47 -0.18 0.00 -2.87 0.00 0.00 58.31 54.79 1wwt n LYS 20 Cb 0.00 -1.83 -0.12 0.00 -1.84 0.00 0.00 35.03 31.24 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 -3.70 0.80 0.07 1.97 -0.21 -1.26 0.07 119.66 117.39 1wwt s GLN 21 Ca 0.59 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 55.06 1wwt s GLN 21 Cb -0.16 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.02 1wwt s GLN 21 CO 0.66 0.18 -0.05 0.08 -2.12 0.00 0.00 175.29 174.03 1wwt s VAL 22 N -1.24 0.44 -0.24 1.09 1.01 0.76 -4.90 120.40 117.31 1wwt s VAL 22 Ca -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.13 1wwt s VAL 22 Cb -0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1wwt s VAL 22 CO 0.02 -0.85 0.14 1.51 0.00 0.00 0.00 175.10 175.92 1wwt s ASP 23 N -2.74 5.91 0.39 3.32 -4.77 -1.26 -1.26 116.67 116.25 1wwt s ASP 23 Ca 0.06 0.05 0.05 0.00 -3.30 0.00 0.00 52.55 49.41 1wwt s ASP 23 Cb 0.04 -2.06 -0.02 0.00 -1.09 0.00 0.00 42.92 39.78 1wwt s ASP 23 CO -0.06 0.05 0.19 0.00 0.70 0.00 0.00 175.17 176.05 1wwt s ALA 24 N 1.12 2.59 -0.03 2.11 0.00 -0.15 -4.94 121.76 122.47 1wwt s ALA 24 Ca 0.07 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1wwt s ALA 24 Cb -0.14 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1wwt s ALA 24 CO 0.05 -0.46 -0.05 -1.21 0.00 0.00 0.00 175.76 174.09 1wwt s GLU 25 N -3.59 0.67 0.01 0.00 2.02 -1.26 0.20 118.70 116.75 1wwt s GLU 25 Ca 0.29 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 1wwt s GLU 25 Cb 0.02 -0.68 -0.08 0.00 0.10 0.00 0.00 34.13 33.49 1wwt s GLU 25 CO 0.19 0.00 1.80 -1.54 0.02 0.00 0.00 175.26 175.73 1wwt s SER 26 N 0.50 6.55 -0.55 -0.19 1.04 -0.19 -1.18 113.70 119.69 1wwt s SER 26 Ca -0.06 2.48 -0.02 0.00 0.48 0.00 0.00 55.95 58.83 1wwt s SER 26 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wwt s SER 26 CO -0.00 -0.98 0.29 0.79 0.98 0.00 0.00 173.24 174.32 1wwt n TRP 27 N 7.03 -0.83 0.15 5.02 7.02 -0.98 -3.91 117.44 130.94 1wwt n TRP 27 Ca 0.18 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.91 1wwt n TRP 27 Cb 0.41 -2.34 0.00 0.00 -2.42 0.00 0.00 31.31 26.96 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 -2.01 0.00 -3.88 -0.99 5.02 -0.32 -4.92 118.16 111.07 1wwt n LYS 28 Ca -0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1wwt n LYS 28 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.50 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 -1.83 5.38 0.47 -0.18 2.01 -0.35 -4.90 115.64 116.24 1wwt s THR 29 Ca 0.00 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1wwt s THR 29 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1wwt s THR 29 CO 0.00 0.22 0.02 0.42 -0.69 0.00 0.00 174.62 174.59 1wwt s THR 30 N -1.44 1.56 -0.11 -0.82 -4.23 -1.26 -1.62 115.64 107.72 1wwt s THR 30 Ca 0.32 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 59.11 1wwt s THR 30 Cb -0.13 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.48 1wwt s THR 30 CO 0.23 0.00 1.76 1.55 -0.54 0.00 0.00 174.62 177.63 1wwt h PRO 31 N 1.52 0.00 -0.02 3.99 0.13 -1.75 -2.69 132.00 133.18 1wwt h PRO 31 Ca -0.44 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.54 1wwt h PRO 31 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1wwt h PRO 31 CO 0.77 0.10 -0.70 -0.92 -0.23 0.00 0.00 178.00 177.01 1wwt h TYR 32 N 0.00 0.14 0.03 1.56 3.20 -1.89 -3.00 116.97 117.01 1wwt h TYR 32 Ca -0.00 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1wwt h TYR 32 Cb 0.82 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1wwt h TYR 32 CO 0.00 0.77 -0.01 1.96 -1.64 0.00 0.00 178.16 179.24 1wwt h GLN 33 N 0.07 -0.03 -0.67 1.82 4.20 -1.82 -2.58 115.11 116.10 1wwt h GLN 33 Ca -0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.76 1wwt h GLN 33 Cb 1.25 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.94 1wwt h GLN 33 CO 0.10 0.56 -0.53 0.82 -0.67 0.00 0.00 178.83 179.11 1wwt h ILE 34 N -0.97 0.00 -0.68 2.54 2.04 -1.57 0.62 117.51 119.49 1wwt h ILE 34 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1wwt h ILE 34 Cb 0.61 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1wwt h ILE 34 CO 0.01 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.49 1wwt h ALA 35 N 0.14 0.92 -0.01 1.87 0.00 -1.67 0.77 119.26 121.28 1wwt h ALA 35 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wwt h ALA 35 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wwt h ALA 35 CO -0.72 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 178.60 1wwt n GLY 37 N -1.15 5.04 0.58 0.00 0.00 0.27 -4.53 105.19 105.41 1wwt n GLY 37 Ca -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1wwt n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwt n ILE 38 N -1.00 0.00 -3.63 -0.61 2.08 0.77 -5.00 119.36 111.97 1wwt n ILE 38 Ca 0.60 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.78 1wwt n ILE 38 Cb 1.21 -0.65 -0.07 0.00 -0.75 0.00 0.00 39.64 39.38 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1wwt s SER 39 N -1.99 -0.75 -0.28 4.38 1.04 -1.24 -5.09 113.70 109.76 1wwt s SER 39 Ca 0.00 1.41 -0.29 0.00 0.48 0.00 0.00 55.95 57.56 1wwt s SER 39 Cb 0.00 1.42 -0.06 0.00 0.10 0.00 0.00 66.02 67.47 1wwt s SER 39 CO 0.00 -0.24 2.25 0.00 0.98 0.00 0.00 173.24 176.23 1wwt n GLN 40 N 2.89 1.72 0.00 4.02 6.02 -1.26 -1.12 117.38 129.64 1wwt n GLN 40 Ca -0.15 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1wwt n GLN 40 Cb 0.56 -3.17 0.00 0.00 1.02 0.00 0.00 30.24 28.65 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwt n GLY 41 N 5.91 1.38 0.00 1.08 0.00 -1.26 -5.01 105.19 107.29 1wwt n GLY 41 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1wwt n GLY 41 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wwt n LEU 42 N 0.00 0.03 -0.03 0.99 0.00 -0.28 -1.32 117.00 116.38 1wwt n LEU 42 Ca 0.00 0.77 0.19 0.00 0.00 0.00 0.00 56.01 56.97 1wwt n LEU 42 Cb 0.00 -0.49 0.64 0.00 0.00 0.00 0.00 43.42 43.57 1wwt n LEU 42 CO 0.00 -0.49 1.19 0.00 0.00 0.00 0.00 177.39 178.09 1wwt h ALA 43 N -2.00 2.39 -0.29 1.96 0.00 -1.77 0.91 119.26 120.45 1wwt h ALA 43 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wwt h ALA 43 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wwt h ALA 43 CO 0.00 -0.55 0.17 0.22 0.00 0.00 0.00 179.25 179.09 1wwt h ASP 44 N 0.11 0.35 -0.78 0.00 1.82 -1.89 -2.65 116.42 113.37 1wwt h ASP 44 Ca 0.27 -0.06 -0.49 0.00 -0.39 0.00 0.00 57.03 56.37 1wwt h ASP 44 Cb 0.94 -0.09 -0.13 0.00 0.68 0.00 0.00 39.33 40.73 1wwt h ASP 44 CO -0.03 0.30 0.79 -3.20 -1.61 0.00 0.00 179.24 175.50 1wwt n ASN 45 N -4.85 6.62 -4.03 2.28 5.15 0.31 -4.85 115.26 115.91 1wwt n ASN 45 Ca -0.02 -3.00 -0.25 0.00 -0.60 0.00 0.00 54.58 50.72 1wwt n ASN 45 Cb 0.06 -1.32 -0.17 0.00 -0.53 0.00 0.00 39.78 37.82 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 -1.07 1.15 -0.27 -0.44 2.01 -1.00 -4.76 115.64 111.25 1wwt s THR 46 Ca 0.61 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1wwt s THR 46 Cb 0.32 -1.05 -0.13 0.00 0.01 0.00 0.00 72.50 71.66 1wwt s THR 46 CO -0.14 0.36 -0.30 0.55 -0.69 0.00 0.00 174.62 174.40 1wwt n VAL 47 N 3.79 1.53 -3.78 3.82 3.14 0.18 -4.97 118.33 122.05 1wwt n VAL 47 Ca -0.23 -0.33 -0.13 0.00 -2.96 0.00 0.00 64.34 60.69 1wwt n VAL 47 Cb 0.52 -1.91 -0.10 0.00 -1.06 0.00 0.00 33.84 31.28 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1wwt s ILE 48 N -2.50 0.02 -0.16 1.55 -1.09 -1.24 -4.61 121.20 113.16 1wwt s ILE 48 Ca -0.38 -0.16 -0.07 0.00 -2.23 0.00 0.00 60.65 57.82 1wwt s ILE 48 Cb 0.14 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.51 1wwt s ILE 48 CO 0.50 -0.09 0.05 0.00 -1.23 0.00 0.00 174.94 174.17 1wwt s ALA 49 N -0.30 3.40 -0.11 9.38 0.00 -1.11 0.19 121.76 133.22 1wwt s ALA 49 Ca -0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1wwt s ALA 49 Cb -0.03 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1wwt s ALA 49 CO 0.01 0.26 0.20 0.15 0.00 0.00 0.00 175.76 176.39 1wwt s LYS 50 N 0.12 3.69 -0.32 0.00 1.02 0.26 0.20 119.74 124.71 1wwt s LYS 50 Ca 0.05 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1wwt s LYS 50 Cb -0.12 -3.24 0.10 0.00 -0.52 0.00 0.00 37.83 34.04 1wwt s LYS 50 CO 0.01 0.66 0.06 0.08 -0.92 0.00 0.00 175.35 175.24 1wwt s VAL 51 N -0.76 1.66 -0.36 3.17 1.01 0.31 -1.95 120.40 123.48 1wwt s VAL 51 Ca 0.16 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1wwt s VAL 51 Cb -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1wwt s VAL 51 CO 0.05 -0.59 0.00 -3.20 0.00 0.00 0.00 175.10 171.36 1wwt n ASN 52 N 4.52 -2.58 0.00 3.32 2.85 -0.74 -2.59 115.26 120.05 1wwt n ASN 52 Ca 0.00 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1wwt n ASN 52 Cb 0.42 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.13 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 1.31 -2.72 -4.01 1.20 5.15 -1.26 -4.95 115.26 109.99 1wwt n ASN 53 Ca -0.04 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.69 1wwt n ASN 53 Cb 0.36 -0.45 -0.17 0.00 -0.53 0.00 0.00 39.78 38.99 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 1.12 0.14 3.44 -7.23 -1.07 -5.09 120.40 109.71 1wwt s VAL 54 Ca 0.00 -0.45 -0.33 0.00 -1.81 0.00 0.00 61.98 59.39 1wwt s VAL 54 Cb 0.00 -1.04 -0.17 0.00 0.56 0.00 0.00 36.38 35.73 1wwt s VAL 54 CO 0.00 0.36 0.99 0.52 -0.31 0.00 0.00 175.10 176.66 1wwt n VAL 55 N 3.98 0.98 -3.81 1.32 0.31 -1.26 0.12 118.33 119.98 1wwt n VAL 55 Ca -0.21 -0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 63.73 1wwt n VAL 55 Cb 0.51 -0.47 -0.15 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.37 -0.01 0.38 3.52 -0.11 0.54 -4.66 118.94 118.23 1wwt s TRP 56 Ca 0.75 0.13 -0.26 0.00 1.22 0.00 0.00 56.10 57.94 1wwt s TRP 56 Cb -0.96 -0.13 -0.09 0.00 -1.50 0.00 0.00 33.47 30.80 1wwt s TRP 56 CO 0.54 -0.06 1.13 -0.51 -4.62 0.00 0.00 176.95 173.43 1wwt s ASP 57 N 0.66 6.72 0.28 5.86 1.11 -1.26 -2.75 116.67 127.29 1wwt s ASP 57 Ca -0.05 2.27 0.03 0.00 0.18 0.00 0.00 52.55 54.97 1wwt s ASP 57 Cb -0.08 -2.61 0.43 0.00 1.07 0.00 0.00 42.92 41.73 1wwt s ASP 57 CO -0.02 -0.53 1.73 -0.07 1.18 0.00 0.00 175.17 177.46 1wwt h LEU 58 N 2.84 0.47 -3.95 1.23 3.38 -1.94 -2.80 115.31 114.54 1wwt h LEU 58 Ca -0.48 -0.16 -0.35 0.00 0.09 0.00 0.00 57.88 56.98 1wwt h LEU 58 Cb 1.23 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1wwt h LEU 58 CO 0.63 0.71 0.26 -0.90 0.09 0.00 0.00 178.44 179.23 1wwt n ASP 59 N -4.12 6.21 -3.67 -0.43 5.68 -1.26 -3.65 116.55 115.30 1wwt n ASP 59 Ca -0.00 -2.99 -0.09 0.00 -0.50 0.00 0.00 54.79 51.21 1wwt n ASP 59 Cb 0.40 -1.19 -0.09 0.00 -1.14 0.00 0.00 41.12 39.10 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1wwt s ARG 60 N -1.23 0.54 0.44 0.11 3.52 -1.06 -5.12 118.95 116.14 1wwt s ARG 60 Ca 0.45 0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 56.80 1wwt s ARG 60 Cb 0.29 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.66 1wwt s ARG 60 CO -0.09 -0.15 1.05 -1.25 -0.81 0.00 0.00 175.30 174.04 1wwt s PRO 61 N 1.45 4.01 0.96 5.12 0.04 -1.26 -4.08 135.00 141.23 1wwt s PRO 61 Ca -0.09 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 1wwt s PRO 61 Cb -0.07 -2.36 0.24 0.00 0.04 0.00 0.00 34.50 32.36 1wwt s PRO 61 CO -0.15 -0.27 0.55 1.28 0.04 0.00 0.00 177.00 178.45 1wwt n LEU 62 N -0.44 0.00 -0.02 -3.56 7.99 -0.64 -4.60 117.00 115.72 1wwt n LEU 62 Ca 0.07 -0.55 -0.03 0.00 -0.01 0.00 0.00 56.01 55.49 1wwt n LEU 62 Cb 0.51 -0.65 -0.03 0.00 -0.11 0.00 0.00 43.42 43.13 1wwt n LEU 62 CO 0.43 -2.37 -0.65 -0.62 -1.51 0.00 0.00 177.39 172.67 1wwt n GLU 63 N -4.11 1.93 -4.02 3.23 1.02 -1.26 -2.33 120.64 115.10 1wwt n GLU 63 Ca 0.09 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1wwt n GLU 63 Cb 0.38 -1.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.10 0.20 -0.54 3.49 -1.05 -1.26 -4.62 118.70 112.81 1wwt s GLU 64 Ca -0.04 -0.13 -0.43 0.00 -0.15 0.00 0.00 54.97 54.22 1wwt s GLU 64 Cb 0.01 0.05 -0.19 0.00 -0.44 0.00 0.00 34.13 33.57 1wwt s GLU 64 CO 0.14 -0.09 2.19 -0.40 0.95 0.00 0.00 175.26 178.05 1wwt n ASP 65 N -1.04 0.72 -3.91 0.83 5.75 -1.26 -4.83 116.55 112.81 1wwt n ASP 65 Ca 0.05 0.63 -0.09 0.00 -0.01 0.00 0.00 54.79 55.38 1wwt n ASP 65 Cb 0.58 -0.90 -0.05 0.00 -1.03 0.00 0.00 41.12 39.72 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 -3.90 5.06 -0.10 0.00 -4.23 -1.26 -3.37 115.64 107.83 1wwt s THR 67 Ca 0.22 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1wwt s THR 67 Cb -0.01 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 1wwt s THR 67 CO 0.10 0.01 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.79 1wwt s LEU 68 N -2.68 2.49 -0.10 4.79 2.96 -0.09 -1.79 118.68 124.27 1wwt s LEU 68 Ca 0.43 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1wwt s LEU 68 Cb -0.12 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1wwt s LEU 68 CO 0.23 0.20 0.20 -0.70 -1.32 0.00 0.00 176.35 174.95 1wwt s GLU 69 N 0.14 0.09 0.08 1.98 2.12 -0.82 -2.16 118.70 120.14 1wwt s GLU 69 Ca -0.09 0.58 -0.22 0.00 0.36 0.00 0.00 54.97 55.59 1wwt s GLU 69 Cb -0.15 -0.17 -0.07 0.00 0.26 0.00 0.00 34.13 33.99 1wwt s GLU 69 CO 0.06 -0.26 0.67 -0.51 -0.54 0.00 0.00 175.26 174.67 1wwt s LEU 70 N 2.02 4.52 0.16 2.70 2.01 -1.26 0.92 118.68 129.74 1wwt s LEU 70 Ca -0.01 1.39 0.02 0.00 0.01 0.00 0.00 54.13 55.54 1wwt s LEU 70 Cb -0.12 -3.08 -0.04 0.00 0.01 0.00 0.00 46.19 42.97 1wwt s LEU 70 CO -0.07 0.18 0.30 -0.76 1.01 0.00 0.00 176.35 177.01 1wwt s LEU 71 N -0.79 4.33 -0.07 1.79 1.02 0.52 -4.94 118.68 120.54 1wwt s LEU 71 Ca 0.33 0.20 0.21 0.00 0.02 0.00 0.00 54.13 54.89 1wwt s LEU 71 Cb -0.21 -2.94 -0.32 0.00 0.02 0.00 0.00 46.19 42.74 1wwt s LEU 71 CO 0.22 0.04 0.39 1.17 0.02 0.00 0.00 176.35 178.18 1wwt n LYS 72 N -0.57 0.67 -3.65 1.70 0.00 -1.26 0.48 118.16 115.53 1wwt n LYS 72 Ca -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 58.31 58.07 1wwt n LYS 72 Cb 0.54 -1.52 -0.07 0.00 0.00 0.00 0.00 35.03 33.99 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1wwt s PHE 73 N -3.28 -0.23 -0.34 5.64 5.36 -1.26 -4.61 117.98 119.25 1wwt s PHE 73 Ca -0.08 0.50 0.15 0.00 -0.96 0.00 0.00 56.93 56.54 1wwt s PHE 73 Cb 0.12 0.27 0.44 0.00 -0.34 0.00 0.00 43.02 43.51 1wwt s PHE 73 CO 0.88 -0.12 1.15 -1.91 -1.46 0.00 0.00 175.22 173.77 1wwt n GLU 74 N 2.70 1.24 -1.80 10.12 2.13 -1.26 -5.01 120.64 128.76 1wwt n GLU 74 Ca -0.15 -2.62 -0.01 0.00 0.66 0.00 0.00 57.16 55.04 1wwt n GLU 74 Cb 0.57 -0.73 -0.01 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.41 -3.25 -4.46 4.31 8.00 -1.26 -4.95 116.55 114.53 1wwt n ASP 75 Ca 0.03 0.71 -0.43 0.00 0.71 0.00 0.00 54.79 55.81 1wwt n ASP 75 Cb 0.83 -2.89 -0.08 0.00 -0.02 0.00 0.00 41.12 38.96 1wwt n ASP 75 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wwt s GLU 76 N -1.12 3.08 0.17 -1.24 8.01 -1.26 -4.72 118.70 121.62 1wwt s GLU 76 Ca -0.07 -0.87 0.00 0.00 0.01 0.00 0.00 54.97 54.04 1wwt s GLU 76 Cb 0.00 -4.01 0.00 0.00 -4.31 0.00 0.00 34.13 25.82 1wwt s GLU 76 CO 0.18 -0.92 0.00 -0.85 0.01 0.00 0.00 175.26 173.68 1wwt n GLU 77 N 5.61 0.00 -3.02 1.61 0.28 -1.26 -5.14 120.64 118.71 1wwt n GLU 77 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1wwt n GLU 77 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wwt n ALA 78 N -2.95 0.00 -0.34 -1.84 0.00 -1.26 -5.04 120.51 109.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.87 0.00 6.02 -1.26 -4.19 117.38 114.08 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 -0.14 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 s ALA 80 N -0.55 2.84 0.11 -1.58 0.00 -1.26 -4.85 121.76 116.48 1wwt s ALA 80 Ca 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 51.96 49.02 1wwt s ALA 80 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1wwt s ALA 80 CO 0.00 -1.99 0.00 1.33 0.00 0.00 0.00 175.76 175.10 1wwt n VAL 81 N 3.41 0.33 -4.11 0.00 0.24 -1.26 -4.83 118.33 112.11 1wwt n VAL 81 Ca 0.06 0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.33 1wwt n VAL 81 Cb 0.34 -1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 31.66 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 -2.00 1.04 -0.59 6.34 2.02 -1.26 -4.75 117.35 118.14 1wwt s TYR 82 Ca 0.00 -1.26 -0.25 0.00 -0.37 0.00 0.00 57.07 55.19 1wwt s TYR 82 Cb 0.00 -0.16 0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1wwt s TYR 82 CO 0.00 -1.04 1.04 -1.12 -1.57 0.00 0.00 175.55 172.87 1wwt s SER 83 N -3.21 6.32 0.00 2.29 0.01 -1.26 -4.92 113.70 112.93 1wwt s SER 83 Ca 0.31 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wwt s SER 83 Cb 0.01 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1wwt s SER 83 CO 0.18 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 173.06 1wwt n GLY 84 N 5.16 3.74 3.63 3.44 0.00 -1.26 -5.08 105.19 114.83 1wwt n GLY 84 Ca 0.03 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 1.47 3.92 -0.29 1.61 0.04 -1.26 -4.95 135.00 135.54 1wwt s PRO 85 Ca 0.00 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1wwt s PRO 85 Cb 0.00 -3.89 0.16 0.00 0.04 0.00 0.00 34.50 30.81 1wwt s PRO 85 CO 0.00 -1.11 1.05 -1.54 0.04 0.00 0.00 177.00 175.44 1wwt s SER 86 N 2.91 -0.40 -0.18 6.66 1.04 -1.26 -5.08 113.70 117.40 1wwt s SER 86 Ca 0.58 0.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.54 1wwt s SER 86 Cb -0.18 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.17 1wwt s SER 86 CO 0.23 -0.10 0.18 -1.20 0.98 0.00 0.00 173.24 173.33 1wwt n SER 87 N 3.68 -2.63 0.00 7.02 7.64 -1.26 -5.18 113.62 122.89 1wwt n SER 87 Ca -0.17 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wwt n SER 87 Cb 0.57 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64