#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo s SER 0 N 0.00 5.34 0.00 1.61 0.01 0.94 -4.77 113.70 116.83 2wgo s SER 0 Ca 0.00 0.09 0.21 0.00 1.31 0.00 0.00 55.95 57.56 2wgo s SER 0 Cb 0.00 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.84 2wgo s SER 0 CO 0.00 -2.38 1.14 0.18 0.41 0.00 0.00 173.24 172.59 2wgo n LEU 1 N 12.63 2.64 -4.56 2.44 4.77 -1.26 -4.06 117.00 129.60 2wgo n LEU 1 Ca 0.22 -0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 54.85 2wgo n LEU 1 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2wgo n LEU 1 CO 0.69 0.45 1.46 -0.51 -1.33 0.00 0.00 177.39 178.15 2wgo s ILE 2 N -1.79 3.84 -2.00 -0.08 1.10 -1.26 -4.79 121.20 116.21 2wgo s ILE 2 Ca 0.23 -0.70 0.16 0.00 -0.51 0.00 0.00 60.65 59.84 2wgo s ILE 2 Cb 0.17 -4.88 0.47 0.00 0.15 0.00 0.00 42.46 38.36 2wgo s ILE 2 CO 0.29 -1.77 1.39 0.00 -2.11 0.00 0.00 174.94 172.74 2wgo n LEU 3 N 9.74 0.00 -1.51 8.50 -0.00 -1.26 -1.47 117.00 131.00 2wgo n LEU 3 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2wgo n LEU 3 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2wgo n LEU 3 CO 0.65 0.00 0.83 -0.67 -0.00 0.00 0.00 177.39 178.20 2wgo n ASP 4 N -0.96 4.48 0.04 1.45 2.03 -1.26 -1.73 116.55 120.59 2wgo n ASP 4 Ca 0.12 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2wgo n ASP 4 Cb 0.06 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 5 N 1.47 -0.06 0.38 0.27 0.00 -1.21 -2.91 105.19 103.13 2wgo n GLY 5 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2wgo n GLY 5 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wgo h ASP 6 N 0.00 0.51 0.00 1.61 3.58 0.15 -3.17 116.42 119.10 2wgo h ASP 6 Ca 0.00 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2wgo h ASP 6 Cb 0.35 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2wgo h ASP 6 CO 0.00 0.25 -0.94 0.18 -2.88 0.00 0.00 179.24 175.85 2wgo n LEU 7 N -4.53 1.86 -3.13 2.28 7.99 -0.71 -5.03 117.00 115.74 2wgo n LEU 7 Ca 0.17 0.51 -0.06 0.00 -0.01 0.00 0.00 56.01 56.62 2wgo n LEU 7 Cb 0.55 -0.86 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 2wgo n LEU 7 CO 0.31 -0.19 0.20 -0.11 -1.51 0.00 0.00 177.39 176.09 2wgo n LEU 8 N -4.52 -6.28 -0.03 2.23 7.94 -1.14 -4.97 117.00 110.22 2wgo n LEU 8 Ca -0.18 -0.08 -0.01 0.00 -1.11 0.00 0.00 56.01 54.63 2wgo n LEU 8 Cb 0.45 -3.08 -0.08 0.00 0.53 0.00 0.00 43.42 41.25 2wgo n LEU 8 CO 0.14 -1.13 -0.75 0.29 -1.11 0.00 0.00 177.39 174.83 2wgo n LYS 9 N -1.57 1.65 -2.88 1.96 5.02 -1.26 -4.86 118.16 116.22 2wgo n LYS 9 Ca -0.02 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 2wgo n LYS 9 Cb 0.52 -1.25 0.01 0.00 -0.02 0.00 0.00 35.03 34.29 2wgo n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 10 N -2.19 -2.08 -4.82 4.39 2.03 -1.26 -5.13 116.55 107.50 2wgo n ASP 10 Ca -0.11 -3.09 -0.32 0.00 0.52 0.00 0.00 54.79 51.78 2wgo n ASP 10 Cb 0.62 1.12 -0.01 0.00 -0.72 0.00 0.00 41.12 42.13 2wgo n ASP 10 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2wgo s LYS 11 N 0.20 3.61 0.71 -0.67 -2.85 -1.26 -5.06 119.74 114.43 2wgo s LYS 11 Ca 0.33 1.08 -0.04 0.00 -1.00 0.00 0.00 55.97 56.34 2wgo s LYS 11 Cb 0.19 -2.08 0.10 0.00 -2.06 0.00 0.00 37.83 33.98 2wgo s LYS 11 CO -0.20 -0.56 0.99 -0.51 0.10 0.00 0.00 175.35 175.18 2wgo s LEU 12 N -4.31 2.96 -0.01 2.77 1.02 -1.26 -5.03 118.68 114.82 2wgo s LEU 12 Ca 0.61 0.01 0.16 0.00 0.02 0.00 0.00 54.13 54.93 2wgo s LEU 12 Cb -0.13 -2.51 0.27 0.00 0.02 0.00 0.00 46.19 43.84 2wgo s LEU 12 CO 0.34 -1.75 1.11 2.29 0.02 0.00 0.00 176.35 178.36 2wgo n LYS 13 N -2.87 0.07 -3.34 1.70 -0.00 -1.26 -4.91 118.16 107.54 2wgo n LYS 13 Ca 0.12 -1.65 -0.34 0.00 -0.00 0.00 0.00 58.31 56.44 2wgo n LYS 13 Cb 0.60 0.15 -0.06 0.00 -0.00 0.00 0.00 35.03 35.73 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wgo s LEU 14 N -0.18 4.23 -0.24 -5.58 2.01 -1.26 -5.04 118.68 112.63 2wgo s LEU 14 Ca 0.21 1.05 -0.29 0.00 0.01 0.00 0.00 54.13 55.11 2wgo s LEU 14 Cb 0.24 -3.55 -0.00 0.00 0.01 0.00 0.00 46.19 42.89 2wgo s LEU 14 CO -0.10 -0.01 1.22 -2.16 1.01 0.00 0.00 176.35 176.31 2wgo s PRO 15 N -2.44 4.11 -0.01 1.29 0.04 -1.26 -4.41 135.00 132.33 2wgo s PRO 15 Ca 0.44 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2wgo s PRO 15 Cb -0.13 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2wgo s PRO 15 CO 0.20 -0.86 0.01 1.55 0.04 0.00 0.00 177.00 177.95 2wgo n VAL 16 N 5.70 -1.76 -1.60 -0.36 3.14 -1.26 -4.94 118.33 117.25 2wgo n VAL 16 Ca 0.14 0.20 -0.34 0.00 -2.96 0.00 0.00 64.34 61.38 2wgo n VAL 16 Cb 0.46 -2.78 0.07 0.00 -1.06 0.00 0.00 33.84 30.53 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2wgo s ILE 17 N -0.13 2.74 0.48 1.55 1.01 0.39 -4.88 121.20 122.36 2wgo s ILE 17 Ca -0.01 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 2wgo s ILE 17 Cb 0.00 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 2wgo s ILE 17 CO 0.04 -0.20 1.38 -0.62 0.00 0.00 0.00 174.94 175.55 2wgo s ASP 18 N -2.26 5.71 0.58 3.58 -1.08 -1.26 -3.84 116.67 118.10 2wgo s ASP 18 Ca 0.71 2.82 0.32 0.00 -0.52 0.00 0.00 52.55 55.88 2wgo s ASP 18 Cb -0.25 -2.64 1.79 0.00 -1.46 0.00 0.00 42.92 40.35 2wgo s ASP 18 CO 0.43 -1.28 2.20 -0.55 0.52 0.00 0.00 175.17 176.49 2wgo h ASN 19 N 2.04 0.00 -0.55 -0.34 7.08 -1.93 -1.09 115.58 120.79 2wgo h ASN 19 Ca -0.51 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 52.64 2wgo h ASN 19 Cb 1.28 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.49 2wgo h ASN 19 CO 0.60 0.04 0.05 0.25 -2.08 0.00 0.00 177.43 176.29 2wgo h LEU 20 N 0.00 0.90 -0.77 6.14 5.85 -1.98 0.40 115.31 125.85 2wgo h LEU 20 Ca -0.00 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 2wgo h LEU 20 Cb 0.15 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2wgo h LEU 20 CO 0.01 0.96 0.14 0.15 -0.34 0.00 0.00 178.44 179.36 2wgo h PHE 21 N 0.82 1.13 -0.29 1.25 3.57 -1.56 -0.36 116.94 121.49 2wgo h PHE 21 Ca 0.16 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2wgo h PHE 21 Cb 0.47 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2wgo h PHE 21 CO 0.03 0.93 -0.13 0.78 -2.23 0.00 0.00 178.31 177.69 2wgo h GLY 22 N 1.06 0.65 0.33 2.40 0.00 -1.25 -2.53 103.07 103.74 2wgo h GLY 22 Ca 0.21 -0.58 0.11 0.00 0.00 0.00 0.00 47.33 47.07 2wgo h GLY 22 CO 0.01 0.53 0.31 0.50 0.00 0.00 0.00 176.54 177.89 2wgo h LYS 23 N 0.35 0.49 0.19 4.80 6.56 0.16 0.69 116.57 129.82 2wgo h LYS 23 Ca 0.07 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2wgo h LYS 23 Cb 0.64 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.16 2wgo h LYS 23 CO 0.04 0.33 -0.33 0.93 -2.06 0.00 0.00 179.45 178.36 2wgo h GLU 24 N 0.51 -0.57 0.33 3.15 4.39 -0.95 0.17 114.58 121.61 2wgo h GLU 24 Ca 0.37 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 2wgo h GLU 24 Cb 0.47 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2wgo h GLU 24 CO -0.33 -0.38 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.58 2wgo h LEU 25 N -0.60 -1.41 -0.92 1.33 3.38 -0.91 -2.58 115.31 113.60 2wgo h LEU 25 Ca 0.01 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2wgo h LEU 25 Cb 0.60 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 2wgo h LEU 25 CO -0.15 -0.60 0.61 -0.07 0.09 0.00 0.00 178.44 178.32 2wgo h LEU 26 N -0.87 1.02 -1.44 1.67 4.07 -0.82 -1.42 115.31 117.53 2wgo h LEU 26 Ca -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 2wgo h LEU 26 Cb 0.79 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 2wgo h LEU 26 CO -0.15 0.72 -0.06 -0.78 -1.08 0.00 0.00 178.44 177.09 2wgo h ASP 27 N 1.20 0.28 0.07 -0.43 3.58 -0.56 0.36 116.42 120.91 2wgo h ASP 27 Ca 0.36 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.67 2wgo h ASP 27 Cb -0.06 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2wgo h ASP 27 CO -0.10 0.38 -0.29 0.11 -2.88 0.00 0.00 179.24 176.45 2wgo h LYS 28 N 0.29 0.34 -0.07 0.28 1.57 -0.85 -2.72 116.57 115.40 2wgo h LYS 28 Ca 0.06 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wgo h LYS 28 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2wgo h LYS 28 CO 0.01 0.61 0.00 1.19 -0.57 0.00 0.00 179.45 180.69 2wgo n PHE 29 N -4.11 0.07 -0.15 -1.35 3.72 -0.24 -3.95 117.46 111.45 2wgo n PHE 29 Ca -0.01 -0.04 0.04 0.00 -0.05 0.00 0.00 57.45 57.39 2wgo n PHE 29 Cb 0.41 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.28 2wgo n PHE 29 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wgo h GLN 30 N 3.51 0.77 -0.23 -1.08 3.07 -0.03 0.35 115.11 121.48 2wgo h GLN 30 Ca 0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.61 2wgo h GLN 30 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 2wgo h GLN 30 CO 0.00 0.51 -0.24 0.22 0.09 0.00 0.00 178.83 179.41 2wgo h ASP 31 N 0.80 0.42 0.02 0.06 3.58 -1.78 0.26 116.42 119.77 2wgo h ASP 31 Ca 0.26 -0.13 -0.23 0.00 0.42 0.00 0.00 57.03 57.34 2wgo h ASP 31 Cb 0.04 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.00 2wgo h ASP 31 CO -0.07 0.66 -0.93 0.44 -2.88 0.00 0.00 179.24 176.47 2wgo h ASP 32 N 0.38 0.79 -0.55 2.28 3.32 -1.20 -0.36 116.42 121.08 2wgo h ASP 32 Ca 0.06 -0.76 -0.04 0.00 0.02 0.00 0.00 57.03 56.31 2wgo h ASP 32 Cb 0.63 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2wgo h ASP 32 CO 0.05 1.45 0.22 0.40 -1.72 0.00 0.00 179.24 179.63 2wgo h ILE 33 N 0.21 1.22 0.00 0.35 2.04 -0.14 0.52 117.51 121.71 2wgo h ILE 33 Ca -0.12 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2wgo h ILE 33 Cb 1.60 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2wgo h ILE 33 CO 0.18 0.27 -0.36 0.50 0.00 0.00 0.00 178.15 178.75 2wgo h LYS 34 N 0.85 0.00 0.02 2.37 3.64 -0.42 0.31 116.57 123.35 2wgo h LYS 34 Ca 0.20 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2wgo h LYS 34 Cb 0.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2wgo h LYS 34 CO -0.02 0.26 -0.33 0.22 -2.27 0.00 0.00 179.45 177.32 2wgo h ASP 35 N 0.00 0.26 -0.05 4.20 3.58 -0.52 -2.21 116.42 121.67 2wgo h ASP 35 Ca -0.01 -0.82 -0.18 0.00 0.42 0.00 0.00 57.03 56.44 2wgo h ASP 35 Cb 1.22 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 42.20 2wgo h ASP 35 CO 0.03 1.05 -0.65 0.11 -2.88 0.00 0.00 179.24 176.91 2wgo h LYS 36 N -0.50 0.54 0.00 0.28 1.57 0.09 -3.40 116.57 115.14 2wgo h LYS 36 Ca -0.05 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2wgo h LYS 36 Cb 1.12 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2wgo h LYS 36 CO 0.06 1.13 -0.94 0.66 -0.57 0.00 0.00 179.45 179.80 2wgo n TYR 37 N -4.14 0.00 -0.98 -1.35 4.01 0.98 -5.05 117.16 110.63 2wgo n TYR 37 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2wgo n TYR 37 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 2wgo n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgo n GLY 38 N 2.77 0.89 3.42 2.72 0.00 -0.46 -4.96 105.19 109.57 2wgo n GLY 38 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2wgo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgo s VAL 39 N -2.30 2.39 -0.09 1.61 1.01 -1.21 -4.89 120.40 116.93 2wgo s VAL 39 Ca 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.12 2wgo s VAL 39 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2wgo s VAL 39 CO 0.00 -0.01 -0.08 -0.62 0.00 0.00 0.00 175.10 174.39 2wgo s ASP 40 N -2.38 4.54 0.13 3.32 -1.08 -1.26 -3.11 116.67 116.83 2wgo s ASP 40 Ca 0.18 -0.10 0.27 0.00 -0.52 0.00 0.00 52.55 52.38 2wgo s ASP 40 Cb -0.09 -1.34 0.98 0.00 -1.46 0.00 0.00 42.92 41.01 2wgo s ASP 40 CO 0.08 0.29 1.84 0.35 0.52 0.00 0.00 175.17 178.25 2wgo n THR 41 N 2.70 0.37 1.58 1.71 -2.24 -1.26 -2.05 114.28 115.08 2wgo n THR 41 Ca -0.18 -0.18 0.15 0.00 -2.27 0.00 0.00 64.05 61.57 2wgo n THR 41 Cb 0.53 -0.55 0.71 0.00 -2.10 0.00 0.00 70.33 68.92 2wgo n THR 41 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wgo n LYS 42 N -1.97 0.85 -0.03 -0.78 5.02 -1.26 -3.37 118.16 116.62 2wgo n LYS 42 Ca 0.06 -0.22 -0.02 0.00 -2.02 0.00 0.00 58.31 56.11 2wgo n LYS 42 Cb 0.40 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2wgo n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 43 N -0.88 2.98 -4.70 4.39 -0.08 -0.88 -4.98 116.55 112.40 2wgo n ASP 43 Ca 0.18 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.03 2wgo n ASP 43 Cb 0.24 0.86 -0.03 0.00 2.34 0.00 0.00 41.12 44.53 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wgo s LEU 44 N -4.38 4.38 -0.62 -2.67 1.43 -0.87 -4.94 118.68 111.02 2wgo s LEU 44 Ca -0.04 2.67 -0.24 0.00 -1.03 0.00 0.00 54.13 55.49 2wgo s LEU 44 Cb 0.03 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.73 2wgo s LEU 44 CO 0.34 -0.95 1.01 -0.75 0.23 0.00 0.00 176.35 176.23 2wgo s LYS 45 N 2.44 3.24 -0.08 1.70 2.20 -1.17 -4.93 119.74 123.14 2wgo s LYS 45 Ca 0.77 -0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2wgo s LYS 45 Cb -0.44 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 31.72 2wgo s LYS 45 CO 0.34 -1.71 1.20 0.42 -0.36 0.00 0.00 175.35 175.24 2wgo s ILE 46 N 4.29 4.29 -0.24 5.43 1.01 -1.26 -0.06 121.20 134.65 2wgo s ILE 46 Ca 0.29 1.60 -0.15 0.00 0.00 0.00 0.00 60.65 62.38 2wgo s ILE 46 Cb -0.13 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 2wgo s ILE 46 CO 0.16 -0.02 -0.35 0.18 0.00 0.00 0.00 174.94 174.90 2wgo n LEU 47 N 5.41 1.94 -3.51 2.97 4.77 0.17 -4.95 117.00 123.81 2wgo n LEU 47 Ca 0.11 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 56.20 2wgo n LEU 47 Cb 0.46 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 2wgo n LEU 47 CO 0.55 0.26 -0.26 -0.75 -1.33 0.00 0.00 177.39 175.86 2wgo s LYS 48 N -2.66 0.20 -0.18 3.23 2.20 -0.85 -4.99 119.74 116.70 2wgo s LYS 48 Ca -0.35 -0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 54.89 2wgo s LYS 48 Cb 0.11 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 2wgo s LYS 48 CO 0.47 -0.87 0.51 0.99 -0.36 0.00 0.00 175.35 176.09 2wgo s THR 49 N 2.22 5.12 0.34 3.43 2.01 -1.25 0.22 115.64 127.74 2wgo s THR 49 Ca 0.07 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 2wgo s THR 49 Cb -0.15 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2wgo s THR 49 CO -0.25 0.21 0.54 -1.20 -0.69 0.00 0.00 174.62 173.23 2wgo n SER 50 N 4.54 -1.53 -3.88 3.53 7.64 0.49 0.15 113.62 124.56 2wgo n SER 50 Ca -0.05 -2.71 -0.11 0.00 1.01 0.00 0.00 58.87 57.01 2wgo n SER 50 Cb 0.51 2.73 -0.12 0.00 -1.01 0.00 0.00 64.21 66.31 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2wgo s GLU 51 N -2.57 0.20 -0.16 1.43 -1.05 -1.26 0.41 118.70 115.70 2wgo s GLU 51 Ca 0.24 -0.13 -0.07 0.00 -0.15 0.00 0.00 54.97 54.85 2wgo s GLU 51 Cb -0.02 0.09 0.06 0.00 -0.44 0.00 0.00 34.13 33.82 2wgo s GLU 51 CO 0.17 -0.04 0.36 0.34 0.95 0.00 0.00 175.26 177.04 2wgo s ASP 52 N -0.52 -0.29 0.92 0.83 3.68 0.11 -4.93 116.67 116.47 2wgo s ASP 52 Ca -0.06 0.80 0.00 0.00 2.13 0.00 0.00 52.55 55.42 2wgo s ASP 52 Cb -0.04 0.81 0.00 0.00 -1.45 0.00 0.00 42.92 42.24 2wgo s ASP 52 CO 0.00 -0.20 0.00 0.29 0.13 0.00 0.00 175.17 175.39 2wgo n LYS 53 N 4.63 0.00 0.00 4.34 4.76 -1.26 -1.63 118.16 129.01 2wgo n LYS 53 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2wgo n LYS 53 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wgo n ARG 54 N 12.22 0.89 -4.46 1.97 1.74 -1.26 -4.83 116.66 122.92 2wgo n ARG 54 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2wgo n ARG 54 Cb 0.00 -1.21 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wgo s PHE 55 N -1.54 1.26 -0.02 -1.55 0.40 -0.64 -2.05 117.98 113.85 2wgo s PHE 55 Ca 0.00 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 2wgo s PHE 55 Cb 0.00 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.72 2wgo s PHE 55 CO 0.00 0.02 0.24 0.71 0.70 0.00 0.00 175.22 176.88 2wgo s TYR 56 N -0.67 3.58 -0.28 0.36 2.02 0.42 0.09 117.35 122.87 2wgo s TYR 56 Ca 0.03 0.54 0.02 0.00 -0.37 0.00 0.00 57.07 57.29 2wgo s TYR 56 Cb -0.07 -1.96 0.08 0.00 -0.40 0.00 0.00 41.96 39.61 2wgo s TYR 56 CO 0.01 0.64 -0.01 0.71 -1.57 0.00 0.00 175.55 175.33 2wgo s TYR 57 N -1.25 2.79 -0.59 2.71 2.02 0.16 -0.63 117.35 122.56 2wgo s TYR 57 Ca 0.25 -2.19 -0.09 0.00 -0.37 0.00 0.00 57.07 54.68 2wgo s TYR 57 Cb -0.13 -2.04 0.15 0.00 -0.40 0.00 0.00 41.96 39.55 2wgo s TYR 57 CO 0.14 -0.86 0.47 0.08 -1.57 0.00 0.00 175.55 173.82 2wgo s VAL 58 N 1.25 4.41 0.02 0.71 1.01 0.50 -0.38 120.40 127.92 2wgo s VAL 58 Ca 0.01 -2.25 -0.30 0.00 0.00 0.00 0.00 61.98 59.43 2wgo s VAL 58 Cb -0.19 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2wgo s VAL 58 CO -0.10 -0.86 1.21 -0.55 0.00 0.00 0.00 175.10 174.80 2wgo s SER 59 N 2.04 7.06 0.05 3.32 0.15 0.13 0.14 113.70 126.59 2wgo s SER 59 Ca 0.11 1.96 0.01 0.00 0.70 0.00 0.00 55.95 58.73 2wgo s SER 59 Cb -0.21 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 2wgo s SER 59 CO -0.03 -0.52 -0.05 0.68 1.20 0.00 0.00 173.24 174.52 2wgo s VAL 60 N 1.50 0.35 -0.13 4.45 -7.23 0.21 0.45 120.40 119.99 2wgo s VAL 60 Ca 0.58 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 59.19 2wgo s VAL 60 Cb -0.28 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2wgo s VAL 60 CO 0.27 -0.65 0.70 -0.62 -0.31 0.00 0.00 175.10 174.49 2wgo s ASP 61 N -2.10 6.87 0.00 4.85 2.15 0.91 0.11 116.67 129.47 2wgo s ASP 61 Ca -0.04 1.06 0.29 0.00 0.43 0.00 0.00 52.55 54.29 2wgo s ASP 61 Cb -0.03 -2.40 1.26 0.00 -0.30 0.00 0.00 42.92 41.45 2wgo s ASP 61 CO -0.03 -0.22 1.87 0.00 -0.17 0.00 0.00 175.17 176.62 2wgo n ALA 62 N 4.48 2.74 0.00 3.66 0.00 -0.97 -3.07 120.51 127.35 2wgo n ALA 62 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2wgo n ALA 62 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2wgo n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgo n GLY 63 N 1.24 1.79 0.12 0.00 0.00 -1.26 -4.65 105.19 102.43 2wgo n GLY 63 Ca 0.16 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2wgo n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgo n ASP 64 N 1.47 0.63 0.00 1.61 5.68 -1.26 -4.82 116.55 119.86 2wgo n ASP 64 Ca 0.00 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2wgo n ASP 64 Cb 0.00 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgo n GLY 65 N 0.11 1.29 3.87 6.12 0.00 -1.26 -5.12 105.19 110.21 2wgo n GLY 65 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2wgo n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wgo s GLU 66 N 0.00 0.97 -0.10 1.61 2.56 -1.26 -4.93 118.70 117.54 2wgo s GLU 66 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.97 54.83 2wgo s GLU 66 Cb 0.00 -1.86 0.04 0.00 2.00 0.00 0.00 34.13 34.32 2wgo s GLU 66 CO 0.00 -2.24 0.06 0.21 -0.56 0.00 0.00 175.26 172.73 2wgo s LYS 67 N -5.66 0.17 0.31 4.30 2.20 -1.26 -2.29 119.74 117.51 2wgo s LYS 67 Ca 0.68 0.10 0.08 0.00 -0.36 0.00 0.00 55.97 56.47 2wgo s LYS 67 Cb -0.08 -1.19 -0.03 0.00 -1.51 0.00 0.00 37.83 35.02 2wgo s LYS 67 CO 0.52 -0.47 0.23 0.00 -0.36 0.00 0.00 175.35 175.27 2wgo s LYS 69 N -3.91 0.46 -0.36 0.00 2.20 -1.03 0.65 119.74 117.75 2wgo s LYS 69 Ca 0.38 -1.06 -0.28 0.00 -0.36 0.00 0.00 55.97 54.64 2wgo s LYS 69 Cb -0.06 -1.32 -0.02 0.00 -1.51 0.00 0.00 37.83 34.92 2wgo s LYS 69 CO 0.25 -1.13 1.84 -0.06 -0.36 0.00 0.00 175.35 175.89 2wgo s PHE 70 N 1.43 1.74 -1.09 4.03 0.40 0.12 -2.68 117.98 121.93 2wgo s PHE 70 Ca 0.14 0.66 -0.14 0.00 -0.60 0.00 0.00 56.93 57.00 2wgo s PHE 70 Cb -0.20 -4.10 0.18 0.00 0.51 0.00 0.00 43.02 39.41 2wgo s PHE 70 CO -0.13 -2.93 1.25 0.21 0.70 0.00 0.00 175.22 174.32 2wgo s LYS 71 N 5.91 3.94 -0.97 0.44 2.20 -0.35 -0.37 119.74 130.54 2wgo s LYS 71 Ca 0.80 -2.47 -0.23 0.00 -0.36 0.00 0.00 55.97 53.71 2wgo s LYS 71 Cb -0.22 -4.89 0.06 0.00 -1.51 0.00 0.00 37.83 31.27 2wgo s LYS 71 CO 0.32 -1.64 1.39 0.42 -0.36 0.00 0.00 175.35 175.48 2wgo s ILE 72 N 1.27 3.98 -0.19 5.43 1.01 0.20 -1.34 121.20 131.55 2wgo s ILE 72 Ca 0.36 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2wgo s ILE 72 Cb -0.05 -5.01 -0.06 0.00 0.01 0.00 0.00 42.46 37.35 2wgo s ILE 72 CO -0.04 -1.88 2.20 -1.14 0.00 0.00 0.00 174.94 174.07 2wgo n ARG 73 N 8.70 2.04 -0.61 2.79 0.63 -1.24 -0.43 116.66 128.55 2wgo n ARG 73 Ca 0.28 0.59 -0.31 0.00 -0.92 0.00 0.00 57.85 57.49 2wgo n ARG 73 Cb 0.50 -3.19 0.20 0.00 0.45 0.00 0.00 32.46 30.42 2wgo n ARG 73 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2wgo n LYS 74 N 8.61 -1.61 -1.58 -0.14 2.85 -0.87 -4.26 118.16 121.15 2wgo n LYS 74 Ca 0.29 -0.44 -0.34 0.00 -1.05 0.00 0.00 58.31 56.77 2wgo n LYS 74 Cb 0.44 -2.01 -0.07 0.00 -0.65 0.00 0.00 35.03 32.74 2wgo n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2wgo n ASP 75 N -3.33 2.60 -0.09 -5.58 2.03 -0.54 -4.33 116.55 107.31 2wgo n ASP 75 Ca 0.04 -2.66 0.10 0.00 0.52 0.00 0.00 54.79 52.79 2wgo n ASP 75 Cb 0.56 -1.41 -0.09 0.00 -0.72 0.00 0.00 41.12 39.45 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2wgo n VAL 76 N 7.17 0.00 0.00 5.18 0.24 -1.26 0.44 118.33 130.10 2wgo n VAL 76 Ca 0.47 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.70 2wgo n VAL 76 Cb 0.44 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wgo n ASP 77 N -1.19 0.00 -4.36 -1.34 -0.08 -1.26 -4.01 116.55 104.31 2wgo n ASP 77 Ca 0.05 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.01 2wgo n ASP 77 Cb 0.34 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.65 2wgo n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2wgo s VAL 78 N 0.00 2.54 -0.25 5.18 0.11 -1.26 -5.03 120.40 121.68 2wgo s VAL 78 Ca 0.00 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2wgo s VAL 78 Cb 0.00 -1.97 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2wgo s VAL 78 CO 0.00 0.57 2.70 -0.81 -3.33 0.00 0.00 175.10 174.23 2wgo n PRO 79 N 2.75 1.98 -3.78 1.54 -0.04 -1.26 -4.21 135.00 131.97 2wgo n PRO 79 Ca -0.17 -1.53 -0.10 0.00 -0.04 0.00 0.00 63.50 61.66 2wgo n PRO 79 Cb 0.52 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 2wgo n PRO 79 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wgo s LYS 80 N -0.87 1.06 -0.50 0.54 1.02 -1.26 -0.04 119.74 119.69 2wgo s LYS 80 Ca 0.47 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.29 2wgo s LYS 80 Cb 0.28 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.97 2wgo s LYS 80 CO -0.09 -0.40 2.18 -1.64 -0.92 0.00 0.00 175.35 174.48 2wgo s MET 81 N -3.86 2.43 0.55 1.68 -1.94 -1.26 -3.59 119.30 113.31 2wgo s MET 81 Ca 0.07 1.20 0.25 0.00 -1.71 0.00 0.00 55.69 55.50 2wgo s MET 81 Cb 0.03 -4.48 1.44 0.00 2.01 0.00 0.00 34.83 33.83 2wgo s MET 81 CO -0.08 -2.92 2.04 -0.24 -0.01 0.00 0.00 175.02 173.81 2wgo h VAL 82 N 7.33 0.69 -4.05 -6.03 3.04 -1.77 -3.45 116.25 112.02 2wgo h VAL 82 Ca -0.27 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.18 2wgo h VAL 82 Cb 1.22 0.79 -0.08 0.00 -2.01 0.00 0.00 31.29 31.22 2wgo h VAL 82 CO 1.15 0.00 -0.18 -0.83 -1.01 0.00 0.00 177.57 176.71 2wgo s GLY 83 N -4.01 1.35 -0.11 3.17 0.00 -0.45 -4.86 107.32 102.41 2wgo s GLY 83 Ca -0.05 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2wgo s GLY 83 CO 0.67 -0.95 0.74 -0.96 0.00 0.00 0.00 173.10 172.60 2wgo n ARG 84 N -0.54 0.19 -2.82 2.90 0.00 -1.26 -1.21 116.66 113.93 2wgo n ARG 84 Ca 0.00 -0.29 -0.42 0.00 -0.00 0.00 0.00 57.85 57.14 2wgo n ARG 84 Cb 0.62 0.05 -0.04 0.00 -0.00 0.00 0.00 32.46 33.09 2wgo n ARG 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wgo s LYS 85 N 0.02 4.23 0.00 2.89 -0.14 -1.09 -4.50 119.74 121.15 2wgo s LYS 85 Ca 0.02 1.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.72 2wgo s LYS 85 Cb 0.06 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 2wgo s LYS 85 CO -0.02 -0.51 0.40 0.00 -0.76 0.00 0.00 175.35 174.46 2wgo n ARG 87 N -0.69 -1.25 0.10 0.00 1.74 -1.22 -3.98 116.66 111.36 2wgo n ARG 87 Ca 0.00 0.91 -0.04 0.00 -0.77 0.00 0.00 57.85 57.95 2wgo n ARG 87 Cb 0.00 -4.53 -0.02 0.00 -1.02 0.00 0.00 32.46 26.89 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wgo h LYS 88 N -0.21 -0.26 -4.63 5.56 3.64 -1.92 -3.43 116.57 115.32 2wgo h LYS 88 Ca -0.21 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.53 2wgo h LYS 88 Cb 1.11 0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.59 2wgo h LYS 88 CO 0.26 -0.17 -0.75 0.34 -2.27 0.00 0.00 179.45 176.86 2wgo s ASP 89 N -3.33 4.58 0.00 4.20 2.15 -1.26 -4.87 116.67 118.14 2wgo s ASP 89 Ca -0.04 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.06 2wgo s ASP 89 Cb 0.00 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.10 2wgo s ASP 89 CO 0.12 -0.33 0.00 -0.67 -0.17 0.00 0.00 175.17 174.12 2wgo n ASP 90 N 4.36 0.00 -3.59 -0.34 2.03 -1.26 -5.16 116.55 112.59 2wgo n ASP 90 Ca -0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.31 2wgo n ASP 90 Cb 0.42 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 91 N -4.00 -0.00 -0.12 1.67 2.15 -1.26 -5.16 116.67 109.95 2wgo s ASP 91 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2wgo s ASP 91 Cb 0.00 0.01 0.02 0.00 -0.30 0.00 0.00 42.92 42.65 2wgo s ASP 91 CO 0.00 -0.01 -0.10 1.51 -0.17 0.00 0.00 175.17 176.39 2wgo s ASP 92 N -2.59 2.29 0.67 -0.34 -4.77 -1.26 -4.92 116.67 105.76 2wgo s ASP 92 Ca 0.14 -0.36 -0.13 0.00 -3.30 0.00 0.00 52.55 48.90 2wgo s ASP 92 Cb 0.04 -0.95 -0.00 0.00 -1.09 0.00 0.00 42.92 40.92 2wgo s ASP 92 CO -0.05 -0.08 1.07 -0.62 0.70 0.00 0.00 175.17 176.19 2wgo s ASP 93 N 1.51 5.35 0.22 2.11 2.15 -1.26 -4.96 116.67 121.79 2wgo s ASP 93 Ca 0.02 1.78 -0.08 0.00 0.43 0.00 0.00 52.55 54.70 2wgo s ASP 93 Cb -0.13 -2.52 0.32 0.00 -0.30 0.00 0.00 42.92 40.29 2wgo s ASP 93 CO -0.07 -1.46 1.73 0.44 -0.17 0.00 0.00 175.17 175.64 2wgo h ASP 94 N -0.25 0.20 -3.35 -0.34 5.19 -2.07 -3.40 116.42 112.39 2wgo h ASP 94 Ca -0.45 0.09 -0.56 0.00 -0.62 0.00 0.00 57.03 55.49 2wgo h ASP 94 Cb 1.22 0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.78 2wgo h ASP 94 CO 0.56 0.11 0.00 -0.83 -3.12 0.00 0.00 179.24 175.96 2wgo s GLY 95 N -3.23 2.64 0.00 2.75 0.00 -1.26 -5.18 107.32 103.04 2wgo s GLY 95 Ca -0.13 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.70 2wgo s GLY 95 CO 0.75 0.45 0.66 -1.72 0.00 0.00 0.00 173.10 173.24