#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 -6.29 0.18 1.61 3.41 -1.26 -4.91 113.62 106.35 1wwt n SER 2 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1wwt n SER 2 Cb 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 64.21 61.97 1wwt n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wwt n SER 3 N 0.61 -2.24 0.00 4.04 7.64 -1.26 -5.18 113.62 117.24 1wwt n SER 3 Ca -0.03 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1wwt n SER 3 Cb 0.54 2.20 0.00 0.00 -1.01 0.00 0.00 64.21 65.94 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 -0.21 0.56 3.28 0.23 0.00 -1.26 -5.09 105.19 102.69 1wwt n GLY 4 Ca 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1wwt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwt s SER 5 N -4.00 -0.52 -0.27 1.61 0.15 -1.26 -5.12 113.70 104.29 1wwt s SER 5 Ca 0.00 0.90 -0.25 0.00 0.70 0.00 0.00 55.95 57.30 1wwt s SER 5 Cb 0.00 0.78 0.09 0.00 -1.71 0.00 0.00 66.02 65.18 1wwt s SER 5 CO 0.00 -0.19 0.84 -0.44 1.20 0.00 0.00 173.24 174.64 1wwt s SER 6 N 1.38 -0.63 0.00 5.45 0.01 -1.26 -5.16 113.70 113.48 1wwt s SER 6 Ca -0.09 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1wwt s SER 6 Cb -0.08 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1wwt s SER 6 CO -0.13 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wwt n GLY 7 N 2.46 2.53 3.63 3.44 0.00 -1.26 -5.16 105.19 110.83 1wwt n GLY 7 Ca -0.13 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 2.48 1.08 1.61 -1.08 -1.26 -4.97 116.67 114.54 1wwt s ASP 8 Ca 0.00 1.56 -0.17 0.00 -0.52 0.00 0.00 52.55 53.43 1wwt s ASP 8 Cb 0.00 -2.23 0.11 0.00 -1.46 0.00 0.00 42.92 39.34 1wwt s ASP 8 CO 0.00 -3.27 0.23 -1.54 0.52 0.00 0.00 175.17 171.10 1wwt n SER 9 N -4.30 -2.19 -3.59 -0.34 3.41 -1.26 -5.03 113.62 100.32 1wwt n SER 9 Ca 0.06 -0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 1wwt n SER 9 Cb 0.55 -1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wwt s LYS 10 N -3.61 1.17 -0.35 4.33 -2.85 -1.26 -4.96 119.74 112.22 1wwt s LYS 10 Ca 0.58 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.73 1wwt s LYS 10 Cb -0.16 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1wwt s LYS 10 CO 0.66 -0.52 1.37 -1.25 0.10 0.00 0.00 175.35 175.71 1wwt s PRO 11 N -3.44 3.74 0.29 1.78 0.04 -1.26 -0.93 135.00 135.21 1wwt s PRO 11 Ca 0.07 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1wwt s PRO 11 Cb -0.02 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1wwt s PRO 11 CO -0.05 -1.35 0.23 0.96 0.04 0.00 0.00 177.00 176.82 1wwt s ILE 12 N 4.95 3.93 -0.16 0.56 -4.36 0.52 -4.92 121.20 121.72 1wwt s ILE 12 Ca 0.60 -1.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.54 1wwt s ILE 12 Cb -0.16 -3.26 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 1wwt s ILE 12 CO 0.28 -0.27 -0.10 -0.54 0.24 0.00 0.00 174.94 174.56 1wwt s LYS 13 N -3.90 3.40 -0.21 0.37 -0.14 -1.26 -0.89 119.74 117.11 1wwt s LYS 13 Ca 0.37 -0.66 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 1wwt s LYS 13 Cb -0.07 -2.76 0.04 0.00 -1.68 0.00 0.00 37.83 33.37 1wwt s LYS 13 CO 0.25 0.09 -0.13 0.08 -0.76 0.00 0.00 175.35 174.89 1wwt s VAL 14 N 0.68 1.92 -0.11 3.17 1.01 -0.82 -2.41 120.40 123.84 1wwt s VAL 14 Ca -0.05 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 1wwt s VAL 14 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1wwt s VAL 14 CO 0.02 0.21 0.58 -0.89 0.00 0.00 0.00 175.10 175.02 1wwt s THR 15 N 1.27 5.11 0.86 3.92 2.01 -1.22 -0.42 115.64 127.17 1wwt s THR 15 Ca -0.02 1.17 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 1wwt s THR 15 Cb -0.17 -3.92 0.11 0.00 0.01 0.00 0.00 72.50 68.54 1wwt s THR 15 CO -0.08 0.26 1.12 -0.76 -0.69 0.00 0.00 174.62 174.47 1wwt s LEU 16 N 0.91 2.88 0.00 4.42 1.43 0.23 -1.65 118.68 126.91 1wwt s LEU 16 Ca 0.31 2.03 0.20 0.00 -1.03 0.00 0.00 54.13 55.64 1wwt s LEU 16 Cb -0.16 -4.53 1.21 0.00 0.03 0.00 0.00 46.19 42.74 1wwt s LEU 16 CO 0.13 -2.71 1.64 -0.81 0.23 0.00 0.00 176.35 174.83 1wwt n PRO 17 N -3.97 0.75 0.00 1.29 -0.04 -0.79 -1.79 135.00 130.46 1wwt n PRO 17 Ca 0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.52 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.92 1.48 0.00 3.54 8.00 -1.26 -4.97 116.55 122.41 1wwt n ASP 18 Ca 0.15 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1wwt n ASP 18 Cb 0.07 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wwt n GLY 19 N 1.19 1.89 3.33 0.44 0.00 -0.74 -5.08 105.19 106.22 1wwt n GLY 19 Ca 0.06 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.25 -4.29 1.61 4.01 -1.26 -4.55 118.16 112.44 1wwt n LYS 20 Ca 0.00 -0.34 -0.22 0.00 -0.51 0.00 0.00 58.31 57.24 1wwt n LYS 20 Cb 0.00 -1.77 -0.12 0.00 -0.51 0.00 0.00 35.03 32.63 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1wwt s GLN 21 N -3.55 1.14 0.10 1.97 -0.21 -1.26 0.77 119.66 118.62 1wwt s GLN 21 Ca 0.57 -1.23 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 1wwt s GLN 21 Cb -0.15 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.54 1wwt s GLN 21 CO 0.66 0.28 0.06 0.08 -2.12 0.00 0.00 175.29 174.26 1wwt s VAL 22 N -1.54 0.14 -0.17 1.09 1.01 0.44 -4.86 120.40 116.51 1wwt s VAL 22 Ca 0.09 -1.78 -0.06 0.00 0.00 0.00 0.00 61.98 60.23 1wwt s VAL 22 Cb -0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1wwt s VAL 22 CO 0.05 -0.64 0.05 1.51 0.00 0.00 0.00 175.10 176.07 1wwt s ASP 23 N -2.99 5.51 0.28 3.32 -4.77 -1.26 -1.94 116.67 114.83 1wwt s ASP 23 Ca 0.16 0.08 0.03 0.00 -3.30 0.00 0.00 52.55 49.52 1wwt s ASP 23 Cb 0.07 -1.90 -0.03 0.00 -1.09 0.00 0.00 42.92 39.97 1wwt s ASP 23 CO -0.03 0.21 0.25 0.00 0.70 0.00 0.00 175.17 176.29 1wwt s ALA 24 N 0.17 1.49 -0.02 2.11 0.00 -0.07 -4.92 121.76 120.53 1wwt s ALA 24 Ca 0.04 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1wwt s ALA 24 Cb -0.12 1.42 0.02 0.00 0.00 0.00 0.00 23.12 24.43 1wwt s ALA 24 CO 0.01 -0.65 -0.02 -1.21 0.00 0.00 0.00 175.76 173.89 1wwt s GLU 25 N -3.68 0.35 0.17 0.00 2.02 -1.26 0.19 118.70 116.50 1wwt s GLU 25 Ca 0.39 -0.01 -0.33 0.00 0.02 0.00 0.00 54.97 55.05 1wwt s GLU 25 Cb 0.04 -0.45 -0.12 0.00 0.10 0.00 0.00 34.13 33.69 1wwt s GLU 25 CO 0.21 -0.06 1.70 -1.13 0.02 0.00 0.00 175.26 176.00 1wwt n SER 26 N 3.76 3.72 -3.65 -0.19 3.41 -0.11 -0.97 113.62 119.59 1wwt n SER 26 Ca -0.22 1.05 -0.25 0.00 -0.26 0.00 0.00 58.87 59.19 1wwt n SER 26 Cb 0.53 -1.52 0.07 0.00 -0.26 0.00 0.00 64.21 63.03 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 4.14 -2.69 0.08 7.33 7.02 -0.84 -4.02 117.44 128.45 1wwt n TRP 27 Ca 0.17 0.99 0.00 0.00 -1.02 0.00 0.00 57.50 57.63 1wwt n TRP 27 Cb 0.33 -4.82 0.00 0.00 -2.42 0.00 0.00 31.31 24.40 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 -4.86 0.00 -3.85 -0.99 5.02 -0.14 -4.94 118.16 108.40 1wwt n LYS 28 Ca -0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 1wwt n LYS 28 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 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 -1.49 5.28 0.40 -0.18 2.01 -0.55 -4.91 115.64 116.20 1wwt s THR 29 Ca 0.00 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1wwt s THR 29 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1wwt s THR 29 CO 0.00 -0.11 0.05 0.42 -0.69 0.00 0.00 174.62 174.29 1wwt s THR 30 N -1.78 1.20 -0.10 -0.82 -4.23 -1.26 -1.46 115.64 107.18 1wwt s THR 30 Ca 0.36 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.13 1wwt s THR 30 Cb -0.11 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.44 1wwt s THR 30 CO 0.29 0.00 1.76 1.55 -0.54 0.00 0.00 174.62 177.67 1wwt h PRO 31 N 1.79 0.00 -0.05 3.99 0.13 -1.74 -2.56 132.00 133.56 1wwt h PRO 31 Ca -0.41 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 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 0.70 0.12 -0.74 -0.92 -0.23 0.00 0.00 178.00 176.92 1wwt h TYR 32 N 0.00 0.41 0.04 1.56 3.20 -1.88 -3.13 116.97 117.17 1wwt h TYR 32 Ca -0.00 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 1wwt h TYR 32 Cb 0.84 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1wwt h TYR 32 CO 0.00 0.94 -0.02 1.96 -1.64 0.00 0.00 178.16 179.39 1wwt h GLN 33 N 0.20 -0.06 -1.00 1.82 4.20 -1.83 -2.59 115.11 115.86 1wwt h GLN 33 Ca -0.03 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.95 1wwt h GLN 33 Cb 1.31 0.01 -0.19 0.00 0.30 0.00 0.00 27.48 28.92 1wwt h GLN 33 CO 0.12 0.55 0.00 0.82 -0.67 0.00 0.00 178.83 179.65 1wwt h ILE 34 N -0.92 0.00 0.27 2.54 2.04 -1.55 1.53 117.51 121.41 1wwt h ILE 34 Ca -0.01 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1wwt h ILE 34 Cb 0.64 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1wwt h ILE 34 CO 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.03 1wwt h ALA 35 N 2.00 -0.36 -0.72 1.87 0.00 -1.62 -2.94 119.26 117.49 1wwt h ALA 35 Ca 0.60 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.49 1wwt h ALA 35 Cb 1.21 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1wwt h ALA 35 CO -0.95 -0.56 0.19 0.00 0.00 0.00 0.00 179.25 177.94 1wwt n GLY 37 N -1.34 -2.32 0.30 0.00 0.00 0.46 -0.45 105.19 101.84 1wwt n GLY 37 Ca 0.13 1.03 -0.08 0.00 0.00 0.00 0.00 46.02 47.10 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 -2.56 -0.61 2.04 -1.30 -3.43 117.51 111.66 1wwt h ILE 38 Ca 0.14 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1wwt h ILE 38 Cb 0.35 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.22 1wwt h ILE 38 CO -0.79 0.00 -0.08 -0.44 0.00 0.00 0.00 178.15 176.84 1wwt s SER 39 N -4.77 -0.43 -0.01 1.72 0.01 0.41 -5.12 113.70 105.51 1wwt s SER 39 Ca -0.09 0.52 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 1wwt s SER 39 Cb 0.08 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.80 1wwt s SER 39 CO 0.45 -0.44 1.56 -1.10 0.41 0.00 0.00 173.24 174.12 1wwt s GLN 40 N -0.92 4.22 0.00 12.44 1.11 -1.22 -2.42 119.66 132.86 1wwt s GLN 40 Ca -0.10 2.14 0.00 0.00 0.01 0.00 0.00 55.36 57.41 1wwt s GLN 40 Cb -0.03 -3.76 0.00 0.00 -1.01 0.00 0.00 33.01 28.21 1wwt s GLN 40 CO 0.05 -0.73 0.00 0.41 0.01 0.00 0.00 175.29 175.03 1wwt n GLY 41 N 3.93 2.11 0.42 3.09 0.00 -1.26 -4.91 105.19 108.57 1wwt n GLY 41 Ca 0.16 -0.59 0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.34 -0.79 0.99 6.46 -1.78 0.55 115.31 121.09 1wwt h LEU 42 Ca 0.00 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1wwt h LEU 42 Cb 0.00 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 1wwt h LEU 42 CO 0.00 0.11 0.47 0.00 -0.62 0.00 0.00 178.44 178.39 1wwt h ALA 43 N 1.59 1.08 -0.92 1.25 0.00 -1.81 0.56 119.26 121.02 1wwt h ALA 43 Ca 0.51 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.58 1wwt h ALA 43 Cb 1.43 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1wwt h ALA 43 CO -0.18 0.16 0.59 0.22 0.00 0.00 0.00 179.25 180.04 1wwt h ASP 44 N 0.84 0.67 -0.66 0.00 1.82 -0.24 -3.41 116.42 115.43 1wwt h ASP 44 Ca 0.35 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1wwt h ASP 44 Cb 0.22 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1wwt h ASP 44 CO -0.19 0.32 0.00 0.59 -1.61 0.00 0.00 179.24 178.35 1wwt n ASN 45 N -4.59 -0.91 -1.17 2.28 4.13 0.19 -4.88 115.26 110.31 1wwt n ASN 45 Ca 0.19 -0.10 0.15 0.00 1.68 0.00 0.00 54.58 56.50 1wwt n ASN 45 Cb 0.50 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.69 1wwt n ASN 45 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1wwt n THR 46 N -1.93 0.00 0.00 3.41 -1.04 -1.26 -4.95 114.28 108.51 1wwt n THR 46 Ca 0.00 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1wwt n THR 46 Cb 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1wwt n THR 46 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1wwt n VAL 47 N -3.92 0.00 -3.71 12.58 3.14 0.18 -4.88 118.33 121.73 1wwt n VAL 47 Ca -0.03 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.24 1wwt n VAL 47 Cb 0.54 -1.08 -0.12 0.00 -1.06 0.00 0.00 33.84 32.12 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 -2.00 -0.08 -0.10 1.55 -1.09 -1.25 -3.91 121.20 114.32 1wwt s ILE 48 Ca 0.00 0.13 -0.18 0.00 -2.23 0.00 0.00 60.65 58.37 1wwt s ILE 48 Cb 0.00 -0.50 -0.04 0.00 -1.58 0.00 0.00 42.46 40.33 1wwt s ILE 48 CO 0.00 0.05 0.47 0.00 -1.23 0.00 0.00 174.94 174.23 1wwt s ALA 49 N 1.45 3.51 -0.06 9.38 0.00 -1.13 -0.94 121.76 133.96 1wwt s ALA 49 Ca -0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1wwt s ALA 49 Cb -0.10 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1wwt s ALA 49 CO -0.11 0.07 0.20 0.15 0.00 0.00 0.00 175.76 176.07 1wwt s LYS 50 N 0.38 3.51 -0.33 0.00 1.02 0.49 0.19 119.74 125.00 1wwt s LYS 50 Ca 0.25 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.14 1wwt s LYS 50 Cb -0.15 -3.15 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 1wwt s LYS 50 CO 0.11 0.72 0.10 0.08 -0.92 0.00 0.00 175.35 175.43 1wwt s VAL 51 N -1.15 1.32 0.00 3.17 1.01 0.37 -2.49 120.40 122.63 1wwt s VAL 51 Ca 0.21 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1wwt s VAL 51 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1wwt s VAL 51 CO 0.10 -0.67 0.00 -3.20 0.00 0.00 0.00 175.10 171.33 1wwt n ASN 52 N 4.58 -1.03 -0.28 3.32 2.85 -1.11 -3.11 115.26 120.48 1wwt n ASN 52 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.44 1wwt n ASN 52 Cb 0.41 -0.48 -0.01 0.00 1.24 0.00 0.00 39.78 40.94 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 1.93 -3.29 -4.01 1.20 2.85 -1.26 -4.97 115.26 107.71 1wwt n ASN 53 Ca 0.00 0.08 -0.22 0.00 -0.11 0.00 0.00 54.58 54.33 1wwt n ASN 53 Cb 0.47 -1.24 -0.16 0.00 1.24 0.00 0.00 39.78 40.09 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 -2.14 0.95 0.16 3.44 -7.23 -1.18 -5.10 120.40 109.30 1wwt s VAL 54 Ca 0.00 -0.41 -0.33 0.00 -1.81 0.00 0.00 61.98 59.43 1wwt s VAL 54 Cb 0.00 -0.86 -0.16 0.00 0.56 0.00 0.00 36.38 35.91 1wwt s VAL 54 CO 0.00 0.30 1.10 0.52 -0.31 0.00 0.00 175.10 176.71 1wwt n VAL 55 N 3.57 0.90 -3.72 1.32 0.31 -1.26 0.14 118.33 119.58 1wwt n VAL 55 Ca -0.21 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 1wwt n VAL 55 Cb 0.53 -0.68 -0.17 0.00 -0.91 0.00 0.00 33.84 32.61 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 -0.25 0.06 0.43 3.52 -0.11 0.50 -4.64 118.94 118.44 1wwt s TRP 56 Ca 0.74 0.19 -0.26 0.00 1.22 0.00 0.00 56.10 57.99 1wwt s TRP 56 Cb -0.90 -0.37 -0.08 0.00 -1.50 0.00 0.00 33.47 30.62 1wwt s TRP 56 CO 0.53 -0.14 1.36 -0.51 -4.62 0.00 0.00 176.95 173.57 1wwt s ASP 57 N 1.62 6.11 0.20 5.86 1.01 -1.26 -2.84 116.67 127.38 1wwt s ASP 57 Ca -0.02 2.77 -0.08 0.00 0.71 0.00 0.00 52.55 55.93 1wwt s ASP 57 Cb -0.13 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 41.28 1wwt s ASP 57 CO -0.03 -1.00 1.73 -0.07 0.21 0.00 0.00 175.17 176.01 1wwt h LEU 58 N 2.51 1.08 -4.33 1.23 3.38 -1.93 -2.86 115.31 114.38 1wwt h LEU 58 Ca -0.50 -0.22 -0.35 0.00 0.09 0.00 0.00 57.88 56.89 1wwt h LEU 58 Cb 1.25 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 1wwt h LEU 58 CO 0.62 1.01 0.31 0.47 0.09 0.00 0.00 178.44 180.95 1wwt n ASP 59 N -4.25 6.04 -3.66 -0.43 8.00 -1.26 -3.53 116.55 117.46 1wwt n ASP 59 Ca 0.06 -2.76 -0.07 0.00 0.71 0.00 0.00 54.79 52.73 1wwt n ASP 59 Cb 0.24 -1.37 -0.08 0.00 -0.02 0.00 0.00 41.12 39.90 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wwt s ARG 60 N 0.10 0.59 0.42 -1.24 3.52 -1.08 -5.13 118.95 116.13 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 0.32 0.23 -0.09 0.00 -1.56 0.00 0.00 34.95 33.86 1wwt s ARG 60 CO -0.08 -0.17 1.05 -1.25 -0.81 0.00 0.00 175.30 174.04 1wwt s PRO 61 N 1.85 4.05 1.12 5.12 0.04 -1.26 -4.07 135.00 141.84 1wwt s PRO 61 Ca -0.09 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1wwt s PRO 61 Cb -0.07 -2.41 0.28 0.00 0.04 0.00 0.00 34.50 32.34 1wwt s PRO 61 CO -0.18 -0.23 0.64 1.28 0.04 0.00 0.00 177.00 178.55 1wwt n LEU 62 N -0.33 0.00 -0.01 -3.56 7.99 -0.54 -4.62 117.00 115.93 1wwt n LEU 62 Ca 0.06 -0.65 -0.02 0.00 -0.01 0.00 0.00 56.01 55.40 1wwt n LEU 62 Cb 0.50 -0.76 -0.02 0.00 -0.11 0.00 0.00 43.42 43.04 1wwt n LEU 62 CO 0.44 -2.52 -0.59 -0.62 -1.51 0.00 0.00 177.39 172.59 1wwt n GLU 63 N -4.54 1.59 -3.81 3.23 1.02 -1.26 -2.00 120.64 114.87 1wwt n GLU 63 Ca 0.10 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1wwt n GLU 63 Cb 0.44 -1.06 0.01 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.37 0.21 -1.31 3.49 0.28 -1.26 -4.61 120.64 115.08 1wwt n GLU 64 Ca -0.05 -0.78 -0.60 0.00 -0.16 0.00 0.00 57.16 55.57 1wwt n GLU 64 Cb 0.56 1.25 -0.11 0.00 1.43 0.00 0.00 31.44 34.57 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 -1.03 0.89 -3.56 -1.84 5.68 -1.26 -4.81 116.55 110.62 1wwt n ASP 65 Ca 0.03 0.71 -0.11 0.00 -0.50 0.00 0.00 54.79 54.92 1wwt n ASP 65 Cb 0.54 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.56 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 -3.41 4.82 -0.08 0.00 -4.23 -1.26 -3.39 115.64 108.08 1wwt s THR 67 Ca 0.24 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1wwt s THR 67 Cb -0.01 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1wwt s THR 67 CO 0.13 -0.47 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.39 1wwt s LEU 68 N -4.33 1.67 -0.04 4.79 2.96 -0.66 -2.73 118.68 120.35 1wwt s LEU 68 Ca 0.42 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1wwt s LEU 68 Cb -0.10 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.68 1wwt s LEU 68 CO 0.35 0.03 0.05 -0.70 -1.32 0.00 0.00 176.35 174.77 1wwt s GLU 69 N 0.77 -0.02 -0.10 1.98 2.12 -1.04 -1.88 118.70 120.52 1wwt s GLU 69 Ca -0.12 0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.33 1wwt s GLU 69 Cb -0.16 -0.51 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 1wwt s GLU 69 CO 0.02 -0.30 0.60 -0.51 -0.54 0.00 0.00 175.26 174.53 1wwt s LEU 70 N 1.98 4.28 0.22 2.70 2.01 -1.26 -0.38 118.68 128.23 1wwt s LEU 70 Ca 0.03 0.99 -0.02 0.00 0.01 0.00 0.00 54.13 55.14 1wwt s LEU 70 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 46.19 43.14 1wwt s LEU 70 CO -0.03 -0.09 0.43 -0.76 1.01 0.00 0.00 176.35 176.91 1wwt s LEU 71 N 0.87 4.19 -0.10 1.79 1.02 -0.12 -4.93 118.68 121.39 1wwt s LEU 71 Ca 0.32 0.49 0.17 0.00 0.02 0.00 0.00 54.13 55.12 1wwt s LEU 71 Cb -0.16 -3.27 -0.23 0.00 0.02 0.00 0.00 46.19 42.54 1wwt s LEU 71 CO 0.14 -0.08 0.39 1.17 0.02 0.00 0.00 176.35 177.99 1wwt n LYS 72 N -0.69 0.66 -3.65 1.70 4.81 -1.26 0.50 118.16 120.23 1wwt n LYS 72 Ca -0.04 0.09 -0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1wwt n LYS 72 Cb 0.54 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.88 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1wwt s PHE 73 N -2.68 -0.28 0.52 5.64 5.36 -1.26 -4.55 117.98 120.74 1wwt s PHE 73 Ca -0.07 0.61 0.05 0.00 -0.96 0.00 0.00 56.93 56.55 1wwt s PHE 73 Cb 0.08 0.31 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 1wwt s PHE 73 CO 0.83 -0.14 0.29 -2.00 -1.46 0.00 0.00 175.22 172.75 1wwt s GLU 74 N 0.67 2.24 -0.40 10.12 2.12 -1.26 -5.03 118.70 127.16 1wwt s GLU 74 Ca -0.02 -2.09 0.03 0.00 0.36 0.00 0.00 54.97 53.26 1wwt s GLU 74 Cb -0.04 -1.96 0.18 0.00 0.26 0.00 0.00 34.13 32.58 1wwt s GLU 74 CO -0.12 -0.51 0.76 -0.51 -0.54 0.00 0.00 175.26 174.33 1wwt s ASP 75 N -4.15 -1.20 0.31 -1.70 1.01 -1.26 -5.03 116.67 104.65 1wwt s ASP 75 Ca 0.28 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1wwt s ASP 75 Cb -0.01 1.54 0.00 0.00 1.01 0.00 0.00 42.92 45.46 1wwt s ASP 75 CO 0.17 -0.12 0.00 -0.62 0.21 0.00 0.00 175.17 174.81 1wwt n GLU 76 N 4.03 0.00 -4.45 8.23 -0.58 -1.26 -5.15 120.64 121.47 1wwt n GLU 76 Ca 0.10 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1wwt n GLU 76 Cb 0.59 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.36 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1wwt s GLU 77 N -2.00 1.68 -0.63 3.49 -1.05 -1.26 -5.11 118.70 113.83 1wwt s GLU 77 Ca 0.00 -1.95 0.05 0.00 -0.15 0.00 0.00 54.97 52.92 1wwt s GLU 77 Cb 0.00 -0.74 0.17 0.00 -0.44 0.00 0.00 34.13 33.12 1wwt s GLU 77 CO 0.00 -0.26 0.44 0.00 0.95 0.00 0.00 175.26 176.39 1wwt s ALA 78 N -3.34 3.22 0.40 -0.84 0.00 -1.26 -4.78 121.76 115.15 1wwt s ALA 78 Ca 0.34 -3.48 0.00 0.00 0.00 0.00 0.00 51.96 48.82 1wwt s ALA 78 Cb 0.07 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1wwt s ALA 78 CO 0.15 -2.07 0.00 1.04 0.00 0.00 0.00 175.76 174.88 1wwt n GLN 79 N 2.26 0.00 -3.56 0.00 6.02 -1.26 -5.05 117.38 115.79 1wwt n GLN 79 Ca 0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.79 1wwt n GLN 79 Cb 0.38 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.57 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 -2.00 3.80 -0.14 -1.58 0.00 -1.26 -4.99 121.76 115.59 1wwt s ALA 80 Ca 0.00 -3.30 -0.25 0.00 0.00 0.00 0.00 51.96 48.41 1wwt s ALA 80 Cb 0.00 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1wwt s ALA 80 CO 0.00 -2.18 0.61 0.54 0.00 0.00 0.00 175.76 174.73 1wwt s VAL 81 N -0.00 0.01 -0.10 0.00 0.11 -1.26 -5.00 120.40 114.15 1wwt s VAL 81 Ca 0.18 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1wwt s VAL 81 Cb -0.16 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1wwt s VAL 81 CO -0.06 -0.03 0.04 0.00 -3.33 0.00 0.00 175.10 171.72 1wwt n TYR 82 N 1.84 -1.67 -1.88 1.54 9.36 -1.25 -4.71 117.16 120.39 1wwt n TYR 82 Ca -0.17 0.84 0.00 0.00 3.32 0.00 0.00 57.90 61.89 1wwt n TYR 82 Cb 0.56 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 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 1.54 -7.74 -4.11 2.98 7.64 -1.26 -5.02 113.62 107.63 1wwt n SER 83 Ca -0.07 1.25 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 1wwt n SER 83 Cb 0.29 -4.29 0.19 0.00 -1.01 0.00 0.00 64.21 59.39 1wwt n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwt s GLY 84 N -0.44 1.80 -0.25 0.23 0.00 -1.26 -4.99 107.32 102.41 1wwt s GLY 84 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1wwt s GLY 84 CO 0.00 -0.63 1.32 2.56 0.00 0.00 0.00 173.10 176.35 1wwt s PRO 85 N -5.80 3.99 -0.17 2.90 0.04 -1.26 -4.94 135.00 129.77 1wwt s PRO 85 Ca 0.75 1.41 -0.35 0.00 0.04 0.00 0.00 61.00 62.84 1wwt s PRO 85 Cb -0.03 -3.86 -0.12 0.00 0.04 0.00 0.00 34.50 30.53 1wwt s PRO 85 CO 0.52 -1.02 1.91 -1.13 0.04 0.00 0.00 177.00 177.33 1wwt n SER 86 N 7.41 3.05 -4.82 6.66 3.41 -1.26 -4.93 113.62 123.14 1wwt n SER 86 Ca 0.15 0.88 -0.36 0.00 -0.26 0.00 0.00 58.87 59.28 1wwt n SER 86 Cb 0.46 -1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.03 1wwt n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wwt s SER 87 N 4.62 6.99 0.00 4.04 0.01 -1.26 -5.29 113.70 122.81 1wwt s SER 87 Ca 0.97 1.30 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1wwt s SER 87 Cb -0.78 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.08 1wwt s SER 87 CO 0.54 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.87