#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 6.25 -0.31 1.61 0.15 -1.26 -4.59 113.70 115.55 1wwt s SER 2 Ca 0.00 -0.76 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 1wwt s SER 2 Cb 0.00 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1wwt s SER 2 CO 0.00 -0.87 0.21 -1.20 1.20 0.00 0.00 173.24 172.57 1wwt n SER 3 N 6.23 -7.64 -4.67 5.45 7.64 -1.26 -4.75 113.62 114.62 1wwt n SER 3 Ca -0.05 0.94 -0.57 0.00 1.01 0.00 0.00 58.87 60.20 1wwt n SER 3 Cb 0.46 -4.56 -0.07 0.00 -1.01 0.00 0.00 64.21 59.03 1wwt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 4 N 0.46 0.65 3.91 0.23 0.00 -1.26 -4.93 105.19 104.25 1wwt n GLY 4 Ca 0.03 0.87 -0.27 0.00 0.00 0.00 0.00 46.02 46.64 1wwt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwt s SER 5 N 2.50 6.29 -0.14 1.61 0.01 -1.26 -5.04 113.70 117.66 1wwt s SER 5 Ca 0.95 0.85 -0.12 0.00 1.31 0.00 0.00 55.95 58.93 1wwt s SER 5 Cb -1.08 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 62.90 1wwt s SER 5 CO 0.61 -0.51 -0.23 -1.20 0.41 0.00 0.00 173.24 172.33 1wwt n SER 6 N -2.09 1.66 0.00 2.44 7.64 -1.26 -5.12 113.62 116.89 1wwt n SER 6 Ca -0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wwt n SER 6 Cb 0.55 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 7 N 1.56 4.14 3.55 0.23 0.00 -1.26 -5.19 105.19 108.21 1wwt n GLY 7 Ca -0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 1wwt n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wwt s ASP 8 N 0.00 -0.27 -0.09 1.61 2.15 -1.26 -5.16 116.67 113.65 1wwt s ASP 8 Ca 0.00 -0.01 -0.06 0.00 0.43 0.00 0.00 52.55 52.91 1wwt s ASP 8 Cb 0.00 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.88 1wwt s ASP 8 CO 0.00 -0.48 0.15 -0.55 -0.17 0.00 0.00 175.17 174.11 1wwt s SER 9 N -2.40 6.33 0.29 -0.34 0.15 -1.26 -4.91 113.70 111.57 1wwt s SER 9 Ca 0.07 0.42 0.03 0.00 0.70 0.00 0.00 55.95 57.17 1wwt s SER 9 Cb -0.01 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1wwt s SER 9 CO -0.07 0.37 0.15 -1.59 1.20 0.00 0.00 173.24 173.30 1wwt s LYS 10 N -1.28 1.56 -0.29 5.44 -2.85 -1.25 -4.89 119.74 116.17 1wwt s LYS 10 Ca 0.18 -1.88 -0.29 0.00 -1.00 0.00 0.00 55.97 52.98 1wwt s LYS 10 Cb -0.12 -0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.55 1wwt s LYS 10 CO 0.08 -0.43 1.35 -1.25 0.10 0.00 0.00 175.35 175.19 1wwt s PRO 11 N -3.85 3.89 0.31 1.78 0.04 -1.26 -0.52 135.00 135.39 1wwt s PRO 11 Ca 0.36 1.29 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1wwt s PRO 11 Cb 0.05 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1wwt s PRO 11 CO 0.17 -1.15 0.06 0.96 0.04 0.00 0.00 177.00 177.08 1wwt s ILE 12 N 4.51 3.12 -0.17 0.56 -4.36 0.50 -4.86 121.20 120.48 1wwt s ILE 12 Ca 0.58 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1wwt s ILE 12 Cb -0.18 -2.89 0.01 0.00 1.25 0.00 0.00 42.46 40.65 1wwt s ILE 12 CO 0.24 -0.26 -0.17 -0.54 0.24 0.00 0.00 174.94 174.45 1wwt s LYS 13 N -3.75 3.09 -0.28 0.37 -0.14 -1.26 -0.88 119.74 116.89 1wwt s LYS 13 Ca 0.35 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 54.13 1wwt s LYS 13 Cb -0.04 -2.61 0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1wwt s LYS 13 CO 0.21 -0.13 -0.01 0.08 -0.76 0.00 0.00 175.35 174.75 1wwt s VAL 14 N 1.13 3.17 -0.17 3.17 1.01 -1.04 -2.09 120.40 125.59 1wwt s VAL 14 Ca 0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 1wwt s VAL 14 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1wwt s VAL 14 CO -0.07 0.06 0.69 -0.89 0.00 0.00 0.00 175.10 174.88 1wwt s THR 15 N 1.34 4.99 0.91 3.92 2.01 -1.17 -1.20 115.64 126.44 1wwt s THR 15 Ca -0.01 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.21 1wwt s THR 15 Cb -0.18 -4.00 0.14 0.00 0.01 0.00 0.00 72.50 68.47 1wwt s THR 15 CO -0.02 0.12 1.11 -0.76 -0.69 0.00 0.00 174.62 174.38 1wwt s LEU 16 N 1.75 2.53 0.00 4.42 1.43 0.44 -0.72 118.68 128.52 1wwt s LEU 16 Ca 0.32 1.90 0.17 0.00 -1.03 0.00 0.00 54.13 55.49 1wwt s LEU 16 Cb -0.16 -4.30 0.99 0.00 0.03 0.00 0.00 46.19 42.75 1wwt s LEU 16 CO 0.12 -2.91 1.47 -0.81 0.23 0.00 0.00 176.35 174.46 1wwt n PRO 17 N -4.09 0.75 -0.00 1.29 -0.04 -0.62 -1.96 135.00 130.33 1wwt n PRO 17 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1wwt n PRO 17 Cb 0.53 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.50 1wwt n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wwt n ASP 18 N -0.85 0.28 0.00 3.54 9.92 -1.26 -4.98 116.55 123.21 1wwt n ASP 18 Ca 0.12 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1wwt n ASP 18 Cb 0.06 1.68 0.00 0.00 -0.64 0.00 0.00 41.12 42.22 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wwt n GLY 19 N 1.32 1.07 3.42 0.44 0.00 -0.83 -5.10 105.19 105.52 1wwt n GLY 19 Ca -0.02 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.56 -4.34 1.61 4.76 -1.26 -4.65 118.16 111.72 1wwt n LYS 20 Ca 0.00 -0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 54.53 1wwt n LYS 20 Cb 0.00 -2.07 -0.10 0.00 -1.84 0.00 0.00 35.03 31.02 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 -4.22 1.30 0.15 1.97 -0.21 -1.26 -0.42 119.66 116.96 1wwt s GLN 21 Ca 0.67 -1.55 -0.02 0.00 0.02 0.00 0.00 55.36 54.48 1wwt s GLN 21 Cb -0.23 -1.12 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 1wwt s GLN 21 CO 0.66 0.19 0.10 0.08 -2.12 0.00 0.00 175.29 174.20 1wwt s VAL 22 N -2.83 0.08 -0.23 1.09 1.01 -0.34 -4.87 120.40 114.30 1wwt s VAL 22 Ca 0.21 -1.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.27 1wwt s VAL 22 Cb -0.01 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1wwt s VAL 22 CO 0.06 -0.38 0.08 -1.81 0.00 0.00 0.00 175.10 173.06 1wwt s ASP 23 N -3.05 5.38 0.31 3.32 1.01 -1.26 -2.50 116.67 119.89 1wwt s ASP 23 Ca 0.25 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.46 1wwt s ASP 23 Cb 0.07 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1wwt s ASP 23 CO 0.03 0.02 0.21 0.00 0.21 0.00 0.00 175.17 175.64 1wwt s ALA 24 N 1.28 1.91 -0.01 5.23 0.00 -0.06 -4.94 121.76 125.18 1wwt s ALA 24 Ca 0.05 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.18 1wwt s ALA 24 Cb -0.15 1.31 -0.00 0.00 0.00 0.00 0.00 23.12 24.28 1wwt s ALA 24 CO 0.04 -0.58 -0.04 -1.21 0.00 0.00 0.00 175.76 173.97 1wwt s GLU 25 N -3.66 0.34 0.19 0.00 2.02 -1.26 0.19 118.70 116.52 1wwt s GLU 25 Ca 0.37 -0.14 -0.32 0.00 0.02 0.00 0.00 54.97 54.91 1wwt s GLU 25 Cb 0.04 -0.34 -0.12 0.00 0.10 0.00 0.00 34.13 33.81 1wwt s GLU 25 CO 0.22 0.07 1.75 -1.54 0.02 0.00 0.00 175.26 175.78 1wwt s SER 26 N -0.02 6.39 -1.51 -0.19 1.04 0.32 -0.89 113.70 118.83 1wwt s SER 26 Ca 0.01 2.85 -0.05 0.00 0.48 0.00 0.00 55.95 59.23 1wwt s SER 26 Cb -0.02 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1wwt s SER 26 CO -0.00 -0.98 0.71 0.79 0.98 0.00 0.00 173.24 174.73 1wwt n TRP 27 N 4.39 -2.11 0.00 5.02 7.02 -0.98 -3.93 117.44 126.85 1wwt n TRP 27 Ca 0.16 0.61 0.00 0.00 -1.02 0.00 0.00 57.50 57.25 1wwt n TRP 27 Cb 0.36 -4.58 0.00 0.00 -2.42 0.00 0.00 31.31 24.67 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 -4.17 0.00 -2.31 -0.99 5.02 -0.07 -4.92 118.16 110.72 1wwt n LYS 28 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.95 1wwt n LYS 28 Cb 0.61 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.68 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 -0.63 2.65 0.24 -0.18 2.01 -0.83 -4.96 115.64 113.95 1wwt s THR 29 Ca 0.00 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1wwt s THR 29 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1wwt s THR 29 CO 0.00 -0.11 0.03 0.42 -0.69 0.00 0.00 174.62 174.28 1wwt s THR 30 N -3.12 0.87 -0.16 -0.82 -4.23 -1.26 -2.97 115.64 103.95 1wwt s THR 30 Ca 0.58 -2.01 0.28 0.00 -1.18 0.00 0.00 61.69 59.36 1wwt s THR 30 Cb -0.11 -2.46 0.37 0.00 1.34 0.00 0.00 72.50 71.64 1wwt s THR 30 CO 0.44 -0.20 1.80 1.55 -0.54 0.00 0.00 174.62 177.66 1wwt h PRO 31 N 2.43 0.00 0.08 3.99 0.13 -1.80 -2.53 132.00 134.30 1wwt h PRO 31 Ca -0.38 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 1wwt h PRO 31 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1wwt h PRO 31 CO 0.64 0.00 -1.20 -0.92 -0.23 0.00 0.00 178.00 176.29 1wwt h TYR 32 N 0.00 0.29 -0.02 1.56 3.20 -1.90 -3.27 116.97 116.82 1wwt h TYR 32 Ca -0.00 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 1wwt h TYR 32 Cb 0.75 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1wwt h TYR 32 CO 0.00 1.18 -0.18 1.96 -1.64 0.00 0.00 178.16 179.48 1wwt h GLN 33 N 0.04 0.17 -0.72 1.82 4.20 -1.83 -2.24 115.11 116.56 1wwt h GLN 33 Ca -0.10 -0.15 0.11 0.00 0.06 0.00 0.00 58.65 58.57 1wwt h GLN 33 Cb 1.90 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 29.59 1wwt h GLN 33 CO 0.17 0.83 -0.38 0.82 -0.67 0.00 0.00 178.83 179.59 1wwt h ILE 34 N -0.45 0.10 0.91 2.54 2.04 -1.58 1.50 117.51 122.58 1wwt h ILE 34 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1wwt h ILE 34 Cb 0.87 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1wwt h ILE 34 CO 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 177.75 1wwt h ALA 35 N 1.00 -1.31 -0.77 1.87 0.00 -1.63 -2.33 119.26 116.09 1wwt h ALA 35 Ca 0.25 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wwt h ALA 35 Cb 0.56 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1wwt h ALA 35 CO -0.78 -1.22 -0.51 0.00 0.00 0.00 0.00 179.25 176.74 1wwt h GLY 37 N -0.14 1.68 0.18 0.00 0.00 0.22 0.02 103.07 105.03 1wwt h GLY 37 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1wwt h GLY 37 CO -0.82 -0.46 -0.07 -2.22 0.00 0.00 0.00 176.54 172.97 1wwt h ILE 38 N 0.18 0.25 -3.15 2.60 2.04 0.22 -3.47 117.51 116.18 1wwt h ILE 38 Ca 0.78 -1.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 1wwt h ILE 38 Cb 2.14 0.46 -0.29 0.00 -0.74 0.00 0.00 36.82 38.39 1wwt h ILE 38 CO -0.52 0.08 -0.50 -0.44 0.00 0.00 0.00 178.15 176.77 1wwt s SER 39 N -5.39 -0.22 -0.46 1.72 0.01 0.16 -5.11 113.70 104.41 1wwt s SER 39 Ca -0.06 0.44 -0.21 0.00 1.31 0.00 0.00 55.95 57.43 1wwt s SER 39 Cb 0.00 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1wwt s SER 39 CO 0.19 -0.13 0.70 -1.10 0.41 0.00 0.00 173.24 173.32 1wwt s GLN 40 N 0.80 3.29 0.00 12.44 -1.52 -1.21 -3.62 119.66 129.84 1wwt s GLN 40 Ca -0.06 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 52.99 1wwt s GLN 40 Cb -0.07 -3.97 0.00 0.00 -0.22 0.00 0.00 33.01 28.74 1wwt s GLN 40 CO -0.05 -1.10 0.00 0.41 -0.25 0.00 0.00 175.29 174.30 1wwt n GLY 41 N 5.05 0.15 0.33 3.09 0.00 -1.26 -4.94 105.19 107.60 1wwt n GLY 41 Ca -0.01 0.10 0.27 0.00 0.00 0.00 0.00 46.02 46.38 1wwt n GLY 41 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1wwt h LEU 42 N 0.00 0.34 -0.32 0.99 8.10 -1.88 1.26 115.31 123.80 1wwt h LEU 42 Ca 0.00 0.23 0.06 0.00 0.11 0.00 0.00 57.88 58.29 1wwt h LEU 42 Cb 0.00 0.23 -0.06 0.00 -0.44 0.00 0.00 40.66 40.39 1wwt h LEU 42 CO 0.00 -0.31 -0.07 0.00 -4.11 0.00 0.00 178.44 173.95 1wwt h ALA 43 N 1.93 0.22 -0.93 0.17 0.00 -1.92 0.36 119.26 119.10 1wwt h ALA 43 Ca 0.78 0.12 0.20 0.00 0.00 0.00 0.00 54.91 56.01 1wwt h ALA 43 Cb 1.94 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.85 1wwt h ALA 43 CO -0.71 -0.45 0.49 0.22 0.00 0.00 0.00 179.25 178.80 1wwt h ASP 44 N 0.01 0.56 -3.60 0.00 1.82 0.12 -2.94 116.42 112.40 1wwt h ASP 44 Ca 0.15 0.12 -0.78 0.00 -0.39 0.00 0.00 57.03 56.13 1wwt h ASP 44 Cb 0.23 0.04 -0.29 0.00 0.68 0.00 0.00 39.33 39.98 1wwt h ASP 44 CO -0.32 0.15 0.26 0.21 -1.61 0.00 0.00 179.24 177.93 1wwt s ASN 45 N -5.31 6.91 -0.29 2.28 2.47 0.11 -4.91 114.94 116.19 1wwt s ASN 45 Ca -0.11 -3.43 0.03 0.00 0.42 0.00 0.00 52.86 49.76 1wwt s ASN 45 Cb 0.24 -2.14 0.19 0.00 -1.45 0.00 0.00 41.25 38.09 1wwt s ASN 45 CO 0.79 -0.32 0.57 -0.89 -3.72 0.00 0.00 177.10 173.53 1wwt s THR 46 N -0.99 -0.95 0.00 -5.21 2.01 -1.11 -4.83 115.64 104.56 1wwt s THR 46 Ca 0.27 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1wwt s THR 46 Cb -0.10 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1wwt s THR 46 CO -0.09 -0.03 0.02 1.33 -0.69 0.00 0.00 174.62 175.17 1wwt n VAL 47 N 5.42 0.00 -4.04 3.82 0.24 -1.20 -4.80 118.33 117.77 1wwt n VAL 47 Ca 0.02 0.52 -0.11 0.00 -2.04 0.00 0.00 64.34 62.73 1wwt n VAL 47 Cb 0.52 -1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1wwt s ILE 48 N -0.05 0.37 0.04 1.34 2.07 -1.26 -4.85 121.20 118.86 1wwt s ILE 48 Ca 0.00 -1.12 -0.07 0.00 -1.41 0.00 0.00 60.65 58.04 1wwt s ILE 48 Cb 0.00 -0.61 -0.05 0.00 0.13 0.00 0.00 42.46 41.93 1wwt s ILE 48 CO 0.00 -0.50 0.31 0.00 -1.91 0.00 0.00 174.94 172.84 1wwt s ALA 49 N -1.73 3.81 -0.19 1.50 0.00 -0.66 -0.86 121.76 123.65 1wwt s ALA 49 Ca -0.10 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1wwt s ALA 49 Cb -0.08 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1wwt s ALA 49 CO -0.01 0.63 0.19 0.15 0.00 0.00 0.00 175.76 176.71 1wwt s LYS 50 N -1.85 4.21 -0.30 0.00 1.02 0.47 0.20 119.74 123.49 1wwt s LYS 50 Ca 0.30 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.19 1wwt s LYS 50 Cb -0.13 -3.42 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1wwt s LYS 50 CO 0.17 0.28 -0.02 0.08 -0.92 0.00 0.00 175.35 174.94 1wwt s VAL 51 N 0.39 2.59 -0.46 3.17 1.01 0.51 -1.21 120.40 126.40 1wwt s VAL 51 Ca 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1wwt s VAL 51 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1wwt s VAL 51 CO 0.00 -0.18 0.00 -3.20 0.00 0.00 0.00 175.10 171.72 1wwt n ASN 52 N 4.49 -3.13 0.00 3.32 2.85 -1.17 -2.45 115.26 119.18 1wwt n ASN 52 Ca -0.10 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1wwt n ASN 52 Cb 0.42 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 39.99 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 1.23 -2.53 -4.05 1.20 2.85 -1.26 -4.94 115.26 107.75 1wwt n ASN 53 Ca -0.05 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.22 1wwt n ASN 53 Cb 0.26 -0.44 -0.15 0.00 1.24 0.00 0.00 39.78 40.69 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1wwt s VAL 54 N -2.00 0.88 0.20 3.44 -7.23 -1.02 -5.08 120.40 109.59 1wwt s VAL 54 Ca 0.00 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.41 1wwt s VAL 54 Cb 0.00 -0.75 -0.16 0.00 0.56 0.00 0.00 36.38 36.03 1wwt s VAL 54 CO 0.00 0.26 1.00 0.52 -0.31 0.00 0.00 175.10 176.56 1wwt n VAL 55 N 2.96 1.36 -3.71 1.32 0.31 -1.26 0.19 118.33 119.50 1wwt n VAL 55 Ca -0.15 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.71 1wwt n VAL 55 Cb 0.55 -0.69 -0.13 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.31 0.41 3.52 -0.11 0.53 -4.59 118.94 117.81 1wwt s TRP 56 Ca 0.68 0.76 -0.26 0.00 1.22 0.00 0.00 56.10 58.51 1wwt s TRP 56 Cb -0.85 -0.01 -0.08 0.00 -1.50 0.00 0.00 33.47 31.03 1wwt s TRP 56 CO 0.55 -0.25 1.28 0.34 -4.62 0.00 0.00 176.95 174.26 1wwt s ASP 57 N 1.53 6.30 0.18 5.86 2.15 -1.26 -1.65 116.67 129.78 1wwt s ASP 57 Ca -0.07 2.60 0.21 0.00 0.43 0.00 0.00 52.55 55.73 1wwt s ASP 57 Cb -0.11 -2.63 0.87 0.00 -0.30 0.00 0.00 42.92 40.75 1wwt s ASP 57 CO -0.08 -0.85 1.64 0.18 -0.17 0.00 0.00 175.17 175.89 1wwt n LEU 58 N 0.06 0.47 -0.05 -1.34 4.77 -1.26 -1.93 117.00 117.72 1wwt n LEU 58 Ca 0.04 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1wwt n LEU 58 Cb 0.44 -0.55 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1wwt n LEU 58 CO 0.55 -0.46 -0.77 -0.67 -1.33 0.00 0.00 177.39 174.71 1wwt n ASP 59 N -2.02 0.61 -4.69 -1.43 2.03 -1.26 -3.89 116.55 105.89 1wwt n ASP 59 Ca 0.03 0.26 -0.42 0.00 0.52 0.00 0.00 54.79 55.17 1wwt n ASP 59 Cb 0.22 0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.56 4.41 0.42 -0.67 3.52 -0.81 -5.01 118.95 118.25 1wwt s ARG 60 Ca -0.07 1.55 -0.23 0.00 -0.13 0.00 0.00 55.73 56.84 1wwt s ARG 60 Cb 0.07 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 1wwt s ARG 60 CO 0.82 -0.33 1.05 -1.25 -0.81 0.00 0.00 175.30 174.78 1wwt s PRO 61 N 1.89 4.06 1.13 5.12 0.04 -1.26 -4.53 135.00 141.45 1wwt s PRO 61 Ca 0.53 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 1wwt s PRO 61 Cb -0.22 -2.43 0.19 0.00 0.04 0.00 0.00 34.50 32.08 1wwt s PRO 61 CO 0.22 -0.22 0.32 1.28 0.04 0.00 0.00 177.00 178.63 1wwt n LEU 62 N -0.31 -1.57 -0.02 -3.56 7.99 -1.16 -4.69 117.00 113.70 1wwt n LEU 62 Ca 0.06 -0.37 -0.02 0.00 -0.01 0.00 0.00 56.01 55.67 1wwt n LEU 62 Cb 0.50 -0.89 -0.02 0.00 -0.11 0.00 0.00 43.42 42.91 1wwt n LEU 62 CO 0.44 -3.40 -0.61 -0.62 -1.51 0.00 0.00 177.39 171.68 1wwt n GLU 63 N -2.64 0.88 -3.66 3.23 1.02 -1.26 -2.31 120.64 115.91 1wwt n GLU 63 Ca 0.05 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1wwt n GLU 63 Cb 0.49 -1.07 0.01 0.00 -0.02 0.00 0.00 31.44 30.86 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 -2.49 0.32 -1.27 3.49 0.28 -1.26 -4.56 120.64 115.16 1wwt n GLU 64 Ca -0.06 -0.92 -0.59 0.00 -0.16 0.00 0.00 57.16 55.43 1wwt n GLU 64 Cb 0.57 1.37 -0.12 0.00 1.43 0.00 0.00 31.44 34.70 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wwt n ASP 65 N -1.06 0.84 -2.37 -1.84 9.92 -1.26 -4.77 116.55 116.01 1wwt n ASP 65 Ca 0.02 0.65 -0.09 0.00 -0.53 0.00 0.00 54.79 54.83 1wwt n ASP 65 Cb 0.51 -0.93 -0.01 0.00 -0.64 0.00 0.00 41.12 40.05 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wwt s THR 67 N -2.60 2.68 -0.04 0.00 -4.23 -1.26 -3.04 115.64 107.15 1wwt s THR 67 Ca 0.18 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1wwt s THR 67 Cb -0.02 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1wwt s THR 67 CO 0.13 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 174.01 1wwt s LEU 68 N -4.36 0.77 -0.18 4.79 2.96 0.10 -3.03 118.68 119.72 1wwt s LEU 68 Ca 0.54 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1wwt s LEU 68 Cb -0.07 -0.20 0.08 0.00 0.50 0.00 0.00 46.19 46.50 1wwt s LEU 68 CO 0.32 -0.16 0.19 -0.70 -1.32 0.00 0.00 176.35 174.69 1wwt s GLU 69 N 1.50 0.15 -0.09 1.98 2.12 -0.35 -1.59 118.70 122.42 1wwt s GLU 69 Ca -0.03 0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.23 1wwt s GLU 69 Cb -0.13 -1.19 -0.02 0.00 0.26 0.00 0.00 34.13 33.05 1wwt s GLU 69 CO -0.03 -0.61 0.90 -0.51 -0.54 0.00 0.00 175.26 174.47 1wwt s LEU 70 N 2.29 4.27 0.48 2.70 2.01 -1.26 0.18 118.68 129.35 1wwt s LEU 70 Ca 0.06 1.42 -0.15 0.00 0.01 0.00 0.00 54.13 55.46 1wwt s LEU 70 Cb -0.15 -3.40 -0.08 0.00 0.01 0.00 0.00 46.19 42.57 1wwt s LEU 70 CO -0.11 -0.33 0.93 -0.76 1.01 0.00 0.00 176.35 177.09 1wwt s LEU 71 N 1.58 3.70 0.05 1.79 1.02 -0.04 -4.96 118.68 121.83 1wwt s LEU 71 Ca 0.45 1.47 0.19 0.00 0.02 0.00 0.00 54.13 56.26 1wwt s LEU 71 Cb -0.18 -4.38 -0.15 0.00 0.02 0.00 0.00 46.19 41.49 1wwt s LEU 71 CO 0.19 -0.52 0.74 0.29 0.02 0.00 0.00 176.35 177.08 1wwt n LYS 72 N -1.42 0.63 0.00 1.70 4.76 -1.26 -3.21 118.16 119.36 1wwt n LYS 72 Ca 0.06 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1wwt n LYS 72 Cb 0.54 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1wwt n LYS 72 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wwt n PHE 73 N -2.73 0.00 -3.31 2.13 7.35 -1.26 -4.64 117.46 115.00 1wwt n PHE 73 Ca -0.09 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.42 1wwt n PHE 73 Cb 0.77 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.60 1wwt n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1wwt s GLU 74 N -1.01 2.98 -0.47 -4.13 2.02 -1.26 -5.08 118.70 111.74 1wwt s GLU 74 Ca 0.00 -1.13 0.06 0.00 0.02 0.00 0.00 54.97 53.93 1wwt s GLU 74 Cb 0.00 -2.77 0.21 0.00 0.10 0.00 0.00 34.13 31.66 1wwt s GLU 74 CO 0.00 -0.07 0.64 -3.47 0.02 0.00 0.00 175.26 172.37 1wwt n ASP 75 N -1.71 -2.03 0.17 -0.19 -0.08 -1.26 -4.97 116.55 106.49 1wwt n ASP 75 Ca 0.03 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.48 1wwt n ASP 75 Cb 0.59 0.82 0.00 0.00 2.34 0.00 0.00 41.12 44.87 1wwt n ASP 75 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wwt n GLU 76 N 2.38 0.00 -3.97 -0.67 1.02 -1.26 -5.16 120.64 112.98 1wwt n GLU 76 Ca 0.19 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.16 1wwt n GLU 76 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.90 1wwt n GLU 76 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wwt n GLU 77 N -3.48 0.38 -4.20 3.49 0.28 -1.26 -5.18 120.64 110.67 1wwt n GLU 77 Ca 0.00 -2.93 -0.28 0.00 -0.16 0.00 0.00 57.16 53.79 1wwt n GLU 77 Cb 0.00 2.33 -0.05 0.00 1.43 0.00 0.00 31.44 35.15 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 -1.02 0.44 -1.97 -1.84 0.00 -1.26 -4.95 120.51 109.90 1wwt n ALA 78 Ca -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.35 1wwt n ALA 78 Cb 0.53 1.04 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 -1.19 -5.30 -2.74 0.00 1.13 -1.26 -4.76 117.38 103.25 1wwt n GLN 79 Ca -0.16 3.78 -0.09 0.00 -1.94 0.00 0.00 57.00 58.60 1wwt n GLN 79 Cb 0.56 -4.03 0.04 0.00 0.11 0.00 0.00 30.24 26.92 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwt n ALA 80 N 1.77 -0.98 0.10 -1.58 0.00 -1.26 -4.94 120.51 113.62 1wwt n ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wwt n ALA 80 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1wwt n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwt n VAL 81 N -2.66 0.26 -3.91 0.00 0.31 -1.26 -5.08 118.33 106.00 1wwt n VAL 81 Ca -0.13 0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 64.02 1wwt n VAL 81 Cb 0.58 -0.69 -0.17 0.00 -0.91 0.00 0.00 33.84 32.65 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1wwt s TYR 82 N -1.84 1.47 0.74 3.52 5.04 -1.26 -4.50 117.35 120.52 1wwt s TYR 82 Ca 0.00 -0.73 -0.09 0.00 -2.44 0.00 0.00 57.07 53.81 1wwt s TYR 82 Cb 0.00 -1.23 0.06 0.00 0.35 0.00 0.00 41.96 41.15 1wwt s TYR 82 CO 0.00 -0.51 1.07 -1.54 -1.34 0.00 0.00 175.55 173.23 1wwt s SER 83 N 1.71 4.76 0.00 4.32 1.04 -1.26 -5.02 113.70 119.25 1wwt s SER 83 Ca 0.05 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1wwt s SER 83 Cb -0.13 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1wwt s SER 83 CO -0.08 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.08 1wwt n GLY 84 N -3.04 4.14 0.15 7.32 0.00 -1.26 -5.05 105.19 107.45 1wwt n GLY 84 Ca 0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 0.47 -0.51 1.61 0.13 -2.05 -3.45 132.00 128.20 1wwt h PRO 85 Ca 0.00 -0.46 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1wwt h PRO 85 Cb 0.00 0.12 -0.19 0.00 0.13 0.00 0.00 31.00 31.05 1wwt h PRO 85 CO 0.00 1.10 -0.15 0.45 -0.23 0.00 0.00 178.00 179.18 1wwt s SER 86 N -6.77 -0.84 -0.35 1.44 0.15 -1.26 -5.13 113.70 100.94 1wwt s SER 86 Ca -0.13 0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 1wwt s SER 86 Cb 0.04 1.51 -0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1wwt s SER 86 CO 0.83 -0.15 0.52 -0.55 1.20 0.00 0.00 173.24 175.09 1wwt s SER 87 N 2.86 6.33 0.00 5.45 0.15 -1.26 -5.23 113.70 121.99 1wwt s SER 87 Ca 0.21 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wwt s SER 87 Cb -0.04 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1wwt s SER 87 CO -0.23 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.33