#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 7.28 0.00 1.61 0.15 0.16 -4.88 113.70 118.02 2wgo s SER 0 Ca 0.00 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2wgo s SER 0 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2wgo s SER 0 CO 0.00 -0.05 0.14 0.18 1.20 0.00 0.00 173.24 174.71 2wgo n LEU 1 N 3.04 0.29 -4.76 3.45 4.77 -1.26 -4.57 117.00 117.95 2wgo n LEU 1 Ca -0.00 -0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 54.99 2wgo n LEU 1 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2wgo n LEU 1 CO 0.49 0.07 0.28 -0.51 -1.33 0.00 0.00 177.39 176.39 2wgo s ILE 2 N -0.64 4.92 -0.17 -0.08 1.10 -1.26 -4.52 121.20 120.56 2wgo s ILE 2 Ca 0.00 1.21 -0.01 0.00 -0.51 0.00 0.00 60.65 61.34 2wgo s ILE 2 Cb 0.00 -3.92 0.00 0.00 0.15 0.00 0.00 42.46 38.70 2wgo s ILE 2 CO 0.00 0.42 0.02 0.18 -2.11 0.00 0.00 174.94 173.45 2wgo n LEU 3 N 2.71 -5.41 -4.57 8.50 4.32 -1.26 0.52 117.00 121.81 2wgo n LEU 3 Ca -0.07 0.90 -0.26 0.00 -0.02 0.00 0.00 56.01 56.56 2wgo n LEU 3 Cb 0.51 -2.37 -0.06 0.00 -1.62 0.00 0.00 43.42 39.87 2wgo n LEU 3 CO 0.43 -1.94 1.41 -1.81 -1.22 0.00 0.00 177.39 174.26 2wgo s ASP 4 N -0.89 4.83 -1.30 -1.43 1.11 -1.26 -1.66 116.67 116.07 2wgo s ASP 4 Ca -0.02 -1.26 -0.04 0.00 0.18 0.00 0.00 52.55 51.41 2wgo s ASP 4 Cb 0.00 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 2wgo s ASP 4 CO 0.46 -3.21 0.63 0.61 1.18 0.00 0.00 175.17 174.83 2wgo n GLY 5 N 6.16 -0.42 0.00 0.21 0.00 0.29 -4.89 105.19 106.54 2wgo n GLY 5 Ca 0.43 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wgo n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 6 N -2.97 0.26 -3.64 1.61 -0.08 -1.18 -4.82 116.55 105.72 2wgo n ASP 6 Ca -0.26 -0.40 -0.09 0.00 -1.51 0.00 0.00 54.79 52.53 2wgo n ASP 6 Cb 0.66 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.05 2wgo n ASP 6 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2wgo s LEU 7 N 0.00 -0.81 0.01 -2.67 0.05 -1.26 -4.43 118.68 109.57 2wgo s LEU 7 Ca 0.00 1.38 0.00 0.00 0.05 0.00 0.00 54.13 55.56 2wgo s LEU 7 Cb 0.00 2.30 0.00 0.00 -2.05 0.00 0.00 46.19 46.44 2wgo s LEU 7 CO 0.00 -0.22 0.00 0.18 -0.55 0.00 0.00 176.35 175.76 2wgo n LEU 8 N 3.66 0.07 0.00 1.48 4.77 -1.26 -5.02 117.00 120.69 2wgo n LEU 8 Ca -0.18 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2wgo n LEU 8 Cb 0.58 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wgo n LEU 8 CO 0.00 -0.52 0.00 0.29 -1.33 0.00 0.00 177.39 175.83 2wgo n LYS 9 N -2.58 0.00 -1.21 3.23 5.02 -1.26 -4.05 118.16 117.30 2wgo n LYS 9 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2wgo n LYS 9 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 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 2.18 6.58 0.13 4.39 2.03 -1.26 -4.38 116.55 126.22 2wgo n ASP 10 Ca 0.00 -3.60 -0.01 0.00 0.52 0.00 0.00 54.79 51.70 2wgo n ASP 10 Cb 0.00 -0.95 0.11 0.00 -0.72 0.00 0.00 41.12 39.56 2wgo n ASP 10 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2wgo h LYS 11 N 1.66 0.00 -6.39 -0.67 2.10 -1.99 -3.46 116.57 107.82 2wgo h LYS 11 Ca 0.56 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.77 2wgo h LYS 11 Cb 1.27 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.61 2wgo h LYS 11 CO 1.34 0.65 -0.28 -0.48 -2.00 0.00 0.00 179.45 178.68 2wgo s LEU 12 N -7.07 3.58 -0.12 7.07 0.05 -1.26 -5.04 118.68 115.89 2wgo s LEU 12 Ca 0.00 -0.50 0.24 0.00 0.05 0.00 0.00 54.13 53.92 2wgo s LEU 12 Cb 0.11 -2.50 0.45 0.00 -2.05 0.00 0.00 46.19 42.20 2wgo s LEU 12 CO 0.76 -0.76 1.15 2.29 -0.55 0.00 0.00 176.35 179.23 2wgo n LYS 13 N -1.81 0.79 -4.29 1.48 2.85 -1.26 -5.09 118.16 110.84 2wgo n LYS 13 Ca 0.07 -2.62 -0.20 0.00 -1.05 0.00 0.00 58.31 54.51 2wgo n LYS 13 Cb 0.60 -0.69 -0.13 0.00 -0.65 0.00 0.00 35.03 34.16 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wgo s LEU 14 N -1.76 2.23 0.41 -5.58 1.43 -1.26 -5.03 118.68 109.13 2wgo s LEU 14 Ca 0.30 -0.55 0.21 0.00 -1.03 0.00 0.00 54.13 53.06 2wgo s LEU 14 Cb 0.35 -0.61 0.84 0.00 0.03 0.00 0.00 46.19 46.80 2wgo s LEU 14 CO -0.11 -0.00 1.81 1.55 0.23 0.00 0.00 176.35 179.83 2wgo h PRO 15 N 4.58 0.00 -3.24 1.29 0.13 -1.98 -3.43 132.00 129.35 2wgo h PRO 15 Ca -0.40 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 2wgo h PRO 15 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 2wgo h PRO 15 CO 0.42 0.30 -0.48 0.08 -0.23 0.00 0.00 178.00 178.09 2wgo s VAL 16 N -3.73 -0.00 0.47 1.56 1.01 -1.26 -4.93 120.40 113.52 2wgo s VAL 16 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2wgo s VAL 16 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2wgo s VAL 16 CO 0.66 0.00 0.76 -0.63 0.00 0.00 0.00 175.10 175.89 2wgo s ILE 17 N 0.12 4.76 0.29 2.22 1.01 0.26 -4.96 121.20 124.89 2wgo s ILE 17 Ca -0.00 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2wgo s ILE 17 Cb -0.01 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.55 2wgo s ILE 17 CO 0.00 -0.75 1.48 -0.62 0.00 0.00 0.00 174.94 175.05 2wgo s ASP 18 N -4.12 6.54 0.21 3.58 2.15 -1.26 -4.04 116.67 119.72 2wgo s ASP 18 Ca 0.47 2.81 0.21 0.00 0.43 0.00 0.00 52.55 56.47 2wgo s ASP 18 Cb -0.10 -2.64 0.90 0.00 -0.30 0.00 0.00 42.92 40.79 2wgo s ASP 18 CO 0.43 -0.77 1.63 0.59 -0.17 0.00 0.00 175.17 176.89 2wgo n ASN 19 N 1.82 0.51 -0.14 -0.34 3.02 -1.26 -0.90 115.26 117.98 2wgo n ASN 19 Ca 0.05 0.64 -0.11 0.00 -0.03 0.00 0.00 54.58 55.13 2wgo n ASN 19 Cb 0.39 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2wgo n ASN 19 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wgo h LEU 20 N 0.00 0.84 -1.07 3.41 5.85 -1.98 0.27 115.31 122.62 2wgo h LEU 20 Ca 0.00 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 2wgo h LEU 20 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2wgo h LEU 20 CO 0.00 1.03 0.18 0.15 -0.34 0.00 0.00 178.44 179.46 2wgo h PHE 21 N 0.64 0.85 0.07 1.25 3.57 -1.38 -0.16 116.94 121.78 2wgo h PHE 21 Ca 0.10 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wgo h PHE 21 Cb 0.69 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2wgo h PHE 21 CO 0.05 0.69 -0.03 0.78 -2.23 0.00 0.00 178.31 177.57 2wgo h GLY 22 N 0.96 -0.10 0.28 2.40 0.00 -1.26 -2.47 103.07 102.89 2wgo h GLY 22 Ca 0.19 0.04 0.18 0.00 0.00 0.00 0.00 47.33 47.73 2wgo h GLY 22 CO -0.01 -0.04 0.61 0.50 0.00 0.00 0.00 176.54 177.60 2wgo h LYS 23 N -0.33 0.64 0.01 4.80 1.79 -0.02 0.34 116.57 123.80 2wgo h LYS 23 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2wgo h LYS 23 Cb 0.29 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2wgo h LYS 23 CO 0.02 0.42 -0.03 0.93 -1.08 0.00 0.00 179.45 179.71 2wgo h GLU 24 N 0.66 -0.05 0.27 3.15 4.39 -0.87 0.42 114.58 122.55 2wgo h GLU 24 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2wgo h GLU 24 Cb 0.92 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 2wgo h GLU 24 CO -0.27 -0.03 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.00 2wgo h LEU 25 N -0.05 -1.36 -1.24 1.33 3.38 -0.53 -2.37 115.31 114.46 2wgo h LEU 25 Ca 0.01 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2wgo h LEU 25 Cb 0.06 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2wgo h LEU 25 CO -0.02 -0.57 0.17 -0.07 0.09 0.00 0.00 178.44 178.04 2wgo h LEU 26 N -0.81 0.64 -0.87 1.67 4.07 -1.01 -1.75 115.31 117.25 2wgo h LEU 26 Ca -0.02 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.91 2wgo h LEU 26 Cb 0.77 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.29 2wgo h LEU 26 CO -0.18 0.59 0.55 -0.78 -1.08 0.00 0.00 178.44 177.55 2wgo h ASP 27 N 0.69 0.89 0.54 -0.43 -0.00 0.08 0.79 116.42 118.98 2wgo h ASP 27 Ca 0.16 0.01 -0.10 0.00 -0.00 0.00 0.00 57.03 57.10 2wgo h ASP 27 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 2wgo h ASP 27 CO -0.01 0.58 -0.48 0.11 -0.00 0.00 0.00 179.24 179.44 2wgo h LYS 28 N 1.03 0.00 -0.13 0.28 1.57 -0.81 -2.83 116.57 115.69 2wgo h LYS 28 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2wgo h LYS 28 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wgo h LYS 28 CO -0.15 0.48 0.00 1.19 -0.57 0.00 0.00 179.45 180.40 2wgo n PHE 29 N -3.88 0.14 -0.26 -1.35 3.72 -0.54 -4.27 117.46 111.02 2wgo n PHE 29 Ca -0.01 -0.07 0.02 0.00 -0.05 0.00 0.00 57.45 57.33 2wgo n PHE 29 Cb 0.51 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.19 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2wgo h GLN 30 N 4.25 0.67 -0.38 -1.08 4.15 0.81 0.20 115.11 123.74 2wgo h GLN 30 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2wgo h GLN 30 Cb 0.91 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 2wgo h GLN 30 CO 0.00 0.44 0.17 0.22 -1.93 0.00 0.00 178.83 177.73 2wgo h ASP 31 N 0.69 0.47 0.25 -0.69 3.58 -1.78 0.30 116.42 119.24 2wgo h ASP 31 Ca 0.36 -0.04 -0.33 0.00 0.42 0.00 0.00 57.03 57.44 2wgo h ASP 31 Cb 0.34 -0.12 0.04 0.00 1.72 0.00 0.00 39.33 41.31 2wgo h ASP 31 CO -0.25 0.42 -1.45 -0.78 -2.88 0.00 0.00 179.24 174.30 2wgo h ASP 32 N 0.53 0.84 -0.51 2.28 1.82 -1.33 0.19 116.42 120.24 2wgo h ASP 32 Ca 0.13 -0.92 -0.04 0.00 -0.39 0.00 0.00 57.03 55.81 2wgo h ASP 32 Cb 0.09 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 2wgo h ASP 32 CO -0.02 1.70 0.17 0.40 -1.61 0.00 0.00 179.24 179.89 2wgo h ILE 33 N 0.13 1.22 0.02 2.25 2.04 -0.35 -1.10 117.51 121.72 2wgo h ILE 33 Ca -0.25 -0.74 -0.22 0.00 1.00 0.00 0.00 64.86 64.65 2wgo h ILE 33 Cb 2.14 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2wgo h ILE 33 CO 0.27 0.28 -1.06 0.50 0.00 0.00 0.00 178.15 178.14 2wgo h LYS 34 N 0.81 0.04 -0.63 2.37 3.64 -0.42 0.19 116.57 122.58 2wgo h LYS 34 Ca 0.18 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2wgo h LYS 34 Cb 0.23 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2wgo h LYS 34 CO -0.01 1.02 0.38 0.22 -2.27 0.00 0.00 179.45 178.79 2wgo h ASP 35 N 0.01 0.62 0.06 4.20 1.82 -0.20 -1.44 116.42 121.49 2wgo h ASP 35 Ca -0.04 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.24 2wgo h ASP 35 Cb 1.81 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 41.65 2wgo h ASP 35 CO 0.14 0.43 -2.15 0.29 -1.61 0.00 0.00 179.24 176.34 2wgo n LYS 36 N -4.73 0.69 -0.03 0.28 5.02 -0.45 -4.69 118.16 114.25 2wgo n LYS 36 Ca 0.06 0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.57 2wgo n LYS 36 Cb 0.09 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.43 2wgo n LYS 36 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wgo n TYR 37 N -3.53 0.00 -1.22 2.13 4.01 0.58 -5.05 117.16 114.08 2wgo n TYR 37 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 2wgo n TYR 37 Cb 0.99 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 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 2.62 0.65 3.47 2.72 0.00 -0.54 -4.95 105.19 109.17 2wgo n GLY 38 Ca -0.09 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.50 2.70 -0.20 1.61 1.01 -1.24 -4.90 120.40 116.88 2wgo s VAL 39 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 2wgo s VAL 39 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2wgo s VAL 39 CO 0.00 0.03 0.02 -0.62 0.00 0.00 0.00 175.10 174.53 2wgo s ASP 40 N -2.32 5.04 0.21 3.32 2.15 -1.26 -3.98 116.67 119.84 2wgo s ASP 40 Ca 0.19 -0.14 0.25 0.00 0.43 0.00 0.00 52.55 53.27 2wgo s ASP 40 Cb -0.10 -1.87 0.89 0.00 -0.30 0.00 0.00 42.92 41.55 2wgo s ASP 40 CO 0.10 0.07 1.75 0.35 -0.17 0.00 0.00 175.17 177.27 2wgo n THR 41 N 4.21 0.66 0.42 1.71 -2.24 -1.26 -2.21 114.28 115.57 2wgo n THR 41 Ca -0.17 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 2wgo n THR 41 Cb 0.52 -0.80 0.37 0.00 -2.10 0.00 0.00 70.33 68.31 2wgo n THR 41 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2wgo h LYS 42 N 0.00 0.00 0.00 -0.78 2.10 -1.95 -3.03 116.57 112.90 2wgo h LYS 42 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2wgo h LYS 42 Cb 0.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2wgo h LYS 42 CO 0.00 0.00 -1.28 -3.47 -2.00 0.00 0.00 179.45 172.70 2wgo n ASP 43 N -2.63 0.78 -4.65 7.07 2.03 -0.94 -4.83 116.55 113.38 2wgo n ASP 43 Ca 0.04 0.32 -0.42 0.00 0.52 0.00 0.00 54.79 55.25 2wgo n ASP 43 Cb 0.42 0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 41.24 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgo s LEU 44 N -5.48 4.23 -0.75 -2.67 1.43 -1.15 -4.93 118.68 109.36 2wgo s LEU 44 Ca -0.02 2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 54.98 2wgo s LEU 44 Cb 0.09 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.83 2wgo s LEU 44 CO 0.81 -1.02 1.19 -0.75 0.23 0.00 0.00 176.35 176.81 2wgo s LYS 45 N 4.24 3.21 -0.14 1.70 2.20 -1.09 -4.92 119.74 124.95 2wgo s LYS 45 Ca 0.75 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2wgo s LYS 45 Cb -0.32 -4.32 -0.02 0.00 -1.51 0.00 0.00 37.83 31.65 2wgo s LYS 45 CO 0.30 -2.04 1.37 0.42 -0.36 0.00 0.00 175.35 175.04 2wgo s ILE 46 N 5.06 4.09 -0.16 5.43 1.01 -1.26 0.35 121.20 135.73 2wgo s ILE 46 Ca 0.32 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 62.15 2wgo s ILE 46 Cb -0.10 -3.86 -0.23 0.00 0.01 0.00 0.00 42.46 38.28 2wgo s ILE 46 CO 0.11 -0.13 0.29 0.18 0.00 0.00 0.00 174.94 175.39 2wgo n LEU 47 N 6.81 2.29 -3.38 2.97 4.77 0.19 -4.89 117.00 125.77 2wgo n LEU 47 Ca 0.15 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 2wgo n LEU 47 Cb 0.44 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.39 2wgo n LEU 47 CO 0.58 0.60 -0.11 -0.75 -1.33 0.00 0.00 177.39 176.38 2wgo s LYS 48 N -2.47 0.33 -0.18 3.23 2.20 -0.97 -5.02 119.74 116.86 2wgo s LYS 48 Ca -0.25 0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 55.38 2wgo s LYS 48 Cb 0.06 -0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 35.75 2wgo s LYS 48 CO 0.69 -0.80 0.72 0.99 -0.36 0.00 0.00 175.35 176.59 2wgo s THR 49 N 2.47 4.96 0.33 3.43 2.01 -1.26 -1.95 115.64 125.63 2wgo s THR 49 Ca 0.10 1.40 -0.13 0.00 0.31 0.00 0.00 61.69 63.38 2wgo s THR 49 Cb -0.15 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.38 2wgo s THR 49 CO -0.21 0.08 0.68 -1.20 -0.69 0.00 0.00 174.62 173.28 2wgo n SER 50 N 5.06 -1.93 -4.04 3.53 7.64 -1.00 0.88 113.62 123.77 2wgo n SER 50 Ca 0.01 -2.32 -0.09 0.00 1.01 0.00 0.00 58.87 57.48 2wgo n SER 50 Cb 0.49 3.22 -0.11 0.00 -1.01 0.00 0.00 64.21 66.80 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 -2.07 0.46 -0.13 1.43 -1.05 -1.26 -0.18 118.70 115.89 2wgo s GLU 51 Ca 0.14 -0.83 -0.06 0.00 -0.15 0.00 0.00 54.97 54.07 2wgo s GLU 51 Cb -0.04 0.03 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 2wgo s GLU 51 CO 0.10 -0.04 0.30 0.34 0.95 0.00 0.00 175.26 176.91 2wgo s ASP 52 N -1.93 -0.11 1.14 0.83 -1.08 0.64 -4.88 116.67 111.28 2wgo s ASP 52 Ca -0.08 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.62 2wgo s ASP 52 Cb -0.05 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.08 2wgo s ASP 52 CO -0.03 -0.20 0.00 0.29 0.52 0.00 0.00 175.17 175.75 2wgo n LYS 53 N 4.72 0.00 -0.00 4.34 5.02 -1.26 -2.04 118.16 128.93 2wgo n LYS 53 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2wgo n LYS 53 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wgo n ARG 54 N 13.98 1.02 -4.07 1.97 1.74 -1.26 -4.36 116.66 125.69 2wgo n ARG 54 Ca 0.00 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 2wgo n ARG 54 Cb 0.00 -1.14 -0.11 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.73 0.62 0.23 -1.55 0.40 -0.87 -2.66 117.98 112.42 2wgo s PHE 55 Ca 0.00 -0.64 -0.08 0.00 -0.60 0.00 0.00 56.93 55.61 2wgo s PHE 55 Cb 0.00 -0.38 -0.07 0.00 0.51 0.00 0.00 43.02 43.09 2wgo s PHE 55 CO 0.00 -0.15 0.53 0.71 0.70 0.00 0.00 175.22 177.02 2wgo s TYR 56 N -2.06 3.44 -0.34 0.36 2.02 0.77 -0.26 117.35 121.28 2wgo s TYR 56 Ca -0.05 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 2wgo s TYR 56 Cb -0.05 -2.21 0.11 0.00 -0.40 0.00 0.00 41.96 39.40 2wgo s TYR 56 CO -0.02 0.27 0.12 0.71 -1.57 0.00 0.00 175.55 175.06 2wgo s TYR 57 N -1.84 2.00 -0.74 2.71 2.02 0.75 -1.14 117.35 121.11 2wgo s TYR 57 Ca 0.46 -2.02 -0.15 0.00 -0.37 0.00 0.00 57.07 55.00 2wgo s TYR 57 Cb -0.11 -1.89 0.19 0.00 -0.40 0.00 0.00 41.96 39.75 2wgo s TYR 57 CO 0.23 -0.87 0.68 0.08 -1.57 0.00 0.00 175.55 174.10 2wgo s VAL 58 N 1.29 5.49 -0.09 0.71 1.01 -0.60 -2.36 120.40 125.85 2wgo s VAL 58 Ca 0.11 -2.17 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 2wgo s VAL 58 Cb -0.19 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 2wgo s VAL 58 CO -0.18 -0.98 1.16 -0.55 0.00 0.00 0.00 175.10 174.54 2wgo s SER 59 N 2.60 7.08 0.06 3.32 0.15 -0.82 0.23 113.70 126.33 2wgo s SER 59 Ca 0.13 1.71 0.03 0.00 0.70 0.00 0.00 55.95 58.52 2wgo s SER 59 Cb -0.16 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 2wgo s SER 59 CO -0.05 -0.58 -0.09 0.68 1.20 0.00 0.00 173.24 174.40 2wgo s VAL 60 N 2.38 0.69 -0.31 4.45 -7.23 0.15 0.56 120.40 121.10 2wgo s VAL 60 Ca 0.53 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 59.19 2wgo s VAL 60 Cb -0.22 -0.90 -0.00 0.00 0.56 0.00 0.00 36.38 35.82 2wgo s VAL 60 CO 0.19 -0.44 0.75 -0.62 -0.31 0.00 0.00 175.10 174.67 2wgo s ASP 61 N -1.89 6.62 0.00 4.85 -1.08 0.16 0.37 116.67 125.70 2wgo s ASP 61 Ca -0.04 0.60 0.29 0.00 -0.52 0.00 0.00 52.55 52.87 2wgo s ASP 61 Cb -0.07 -2.39 1.25 0.00 -1.46 0.00 0.00 42.92 40.25 2wgo s ASP 61 CO 0.00 -0.59 1.93 0.00 0.52 0.00 0.00 175.17 177.03 2wgo n ALA 62 N 6.13 2.33 0.00 3.66 0.00 -1.02 -2.67 120.51 128.94 2wgo n ALA 62 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wgo n ALA 62 Cb 0.48 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.42 2.70 0.24 0.00 0.00 -1.26 -4.73 105.19 103.55 2wgo n GLY 63 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2wgo n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wgo h ASP 64 N 0.00 0.00 0.00 1.61 3.58 -2.01 -3.46 116.42 116.14 2wgo h ASP 64 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wgo h ASP 64 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2wgo h ASP 64 CO 0.00 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2wgo n GLY 65 N -0.90 1.24 3.85 -0.78 0.00 -1.26 -5.12 105.19 102.22 2wgo n GLY 65 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2wgo n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgo s GLU 66 N 0.00 3.93 -0.37 1.61 2.02 -1.26 -4.95 118.70 119.69 2wgo s GLU 66 Ca 0.00 0.73 -0.12 0.00 0.02 0.00 0.00 54.97 55.60 2wgo s GLU 66 Cb 0.00 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2wgo s GLU 66 CO 0.00 -0.06 0.22 0.15 0.02 0.00 0.00 175.26 175.59 2wgo s LYS 67 N -3.63 3.02 0.48 1.61 1.02 -1.26 -2.43 119.74 118.55 2wgo s LYS 67 Ca 0.55 -0.96 0.04 0.00 0.02 0.00 0.00 55.97 55.62 2wgo s LYS 67 Cb -0.10 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2wgo s LYS 67 CO 0.26 -0.63 0.68 0.00 -0.92 0.00 0.00 175.35 174.74 2wgo s LYS 69 N -4.57 0.51 -0.94 0.00 2.20 -0.75 0.34 119.74 116.53 2wgo s LYS 69 Ca 0.55 -0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 55.38 2wgo s LYS 69 Cb -0.10 -0.67 -0.02 0.00 -1.51 0.00 0.00 37.83 35.53 2wgo s LYS 69 CO 0.36 -1.13 1.81 -0.06 -0.36 0.00 0.00 175.35 175.98 2wgo s PHE 70 N 1.84 2.01 -0.92 4.03 0.08 0.14 -2.47 117.98 122.69 2wgo s PHE 70 Ca 0.14 0.22 -0.24 0.00 0.12 0.00 0.00 56.93 57.16 2wgo s PHE 70 Cb -0.15 -4.22 0.03 0.00 -0.57 0.00 0.00 43.02 38.11 2wgo s PHE 70 CO -0.16 -1.79 1.47 0.21 -0.10 0.00 0.00 175.22 174.86 2wgo s LYS 71 N 6.44 3.35 -0.57 0.44 2.20 -0.23 -1.56 119.74 129.81 2wgo s LYS 71 Ca 0.64 -0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 55.24 2wgo s LYS 71 Cb -0.05 -4.98 0.04 0.00 -1.51 0.00 0.00 37.83 31.32 2wgo s LYS 71 CO -0.03 -2.33 1.07 0.42 -0.36 0.00 0.00 175.35 174.13 2wgo s ILE 72 N 5.83 4.19 -0.02 5.43 1.01 -0.29 -2.17 121.20 135.19 2wgo s ILE 72 Ca 0.46 0.60 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 2wgo s ILE 72 Cb -0.03 -4.64 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 2wgo s ILE 72 CO -0.01 -1.24 1.67 -0.60 0.00 0.00 0.00 174.94 174.76 2wgo s ARG 73 N 4.49 4.19 1.05 2.79 3.52 -1.20 -0.16 118.95 133.62 2wgo s ARG 73 Ca 0.37 2.25 -0.12 0.00 -0.13 0.00 0.00 55.73 58.09 2wgo s ARG 73 Cb -0.10 -3.90 0.22 0.00 -1.56 0.00 0.00 34.95 29.61 2wgo s ARG 73 CO 0.22 -0.82 1.07 0.15 -0.81 0.00 0.00 175.30 175.11 2wgo s LYS 74 N 3.70 -0.02 0.00 5.12 1.02 -1.09 -3.90 119.74 124.56 2wgo s LYS 74 Ca 0.74 0.74 0.03 0.00 0.02 0.00 0.00 55.97 57.51 2wgo s LYS 74 Cb -0.35 -1.67 0.19 0.00 -0.52 0.00 0.00 37.83 35.47 2wgo s LYS 74 CO 0.31 -3.09 0.63 -3.47 -0.92 0.00 0.00 175.35 168.81 2wgo n ASP 75 N -4.46 0.00 -0.14 2.83 -0.08 0.18 -2.66 116.55 112.22 2wgo n ASP 75 Ca 0.05 -0.80 0.18 0.00 -1.51 0.00 0.00 54.79 52.70 2wgo n ASP 75 Cb 0.55 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.57 2wgo n ASP 75 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2wgo h VAL 76 N 0.00 0.75 -1.40 5.18 3.04 -1.46 0.85 116.25 123.22 2wgo h VAL 76 Ca 0.00 -0.10 0.13 0.00 -1.01 0.00 0.00 66.70 65.72 2wgo h VAL 76 Cb 0.00 0.42 -0.22 0.00 -2.01 0.00 0.00 31.29 29.49 2wgo h VAL 76 CO 0.00 0.05 0.02 -0.62 -1.01 0.00 0.00 177.57 176.01 2wgo s ASP 77 N -5.94 -0.90 0.22 3.17 -1.08 -1.09 -4.23 116.67 106.83 2wgo s ASP 77 Ca -0.07 1.11 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 2wgo s ASP 77 Cb 0.21 1.98 0.00 0.00 -1.46 0.00 0.00 42.92 43.65 2wgo s ASP 77 CO 0.76 -0.17 0.00 0.55 0.52 0.00 0.00 175.17 176.83 2wgo n VAL 78 N 5.26 -7.67 -0.83 1.11 3.14 -1.26 -4.70 118.33 113.37 2wgo n VAL 78 Ca -0.09 2.38 -0.08 0.00 -2.96 0.00 0.00 64.34 63.58 2wgo n VAL 78 Cb 0.51 -3.56 -0.12 0.00 -1.06 0.00 0.00 33.84 29.60 2wgo n VAL 78 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wgo n PRO 79 N 1.25 1.66 -3.80 1.45 -0.04 -1.26 -4.32 135.00 129.93 2wgo n PRO 79 Ca 0.00 -0.71 -0.12 0.00 -0.04 0.00 0.00 63.50 62.63 2wgo n PRO 79 Cb 0.00 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.84 0.50 -0.30 0.54 1.02 -1.25 0.39 119.74 121.47 2wgo s LYS 80 Ca 0.47 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 2wgo s LYS 80 Cb 0.23 0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 2wgo s LYS 80 CO 0.00 -0.12 2.25 0.00 -0.92 0.00 0.00 175.35 176.57 2wgo n MET 81 N 1.83 1.57 -0.38 1.68 0.00 -1.26 -3.25 117.12 117.30 2wgo n MET 81 Ca -0.19 0.39 -0.02 0.00 0.00 0.00 0.00 57.70 57.87 2wgo n MET 81 Cb 0.56 -3.04 0.11 0.00 0.00 0.00 0.00 33.22 30.86 2wgo n MET 81 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2wgo h VAL 82 N 7.24 1.25 -2.16 3.17 3.04 -1.74 -3.40 116.25 123.65 2wgo h VAL 82 Ca -0.34 -0.47 -0.43 0.00 -1.01 0.00 0.00 66.70 64.45 2wgo h VAL 82 Cb 1.27 -0.23 -0.34 0.00 -2.01 0.00 0.00 31.29 29.98 2wgo h VAL 82 CO 1.01 0.25 -0.73 -0.83 -1.01 0.00 0.00 177.57 176.26 2wgo s GLY 83 N -3.13 0.22 -1.14 3.17 0.00 -0.92 -4.91 107.32 100.61 2wgo s GLY 83 Ca -0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.35 2wgo s GLY 83 CO 0.82 2.53 2.69 -0.96 0.00 0.00 0.00 173.10 178.19 2wgo n ARG 84 N 4.31 2.84 -3.39 2.90 0.00 -1.26 -1.07 116.66 120.99 2wgo n ARG 84 Ca 0.10 -1.74 -0.39 0.00 -0.00 0.00 0.00 57.85 55.82 2wgo n ARG 84 Cb 0.43 -2.55 -0.09 0.00 -0.00 0.00 0.00 32.46 30.25 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 2.46 3.94 -0.16 2.89 -0.14 -1.03 -4.80 119.74 122.90 2wgo s LYS 85 Ca 0.57 -0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 54.88 2wgo s LYS 85 Cb 0.17 -3.68 -0.01 0.00 -1.68 0.00 0.00 37.83 32.62 2wgo s LYS 85 CO -0.04 -0.32 0.85 0.00 -0.76 0.00 0.00 175.35 175.08 2wgo s ARG 87 N 2.10 0.69 -0.06 0.00 0.52 -0.58 -4.91 118.95 116.71 2wgo s ARG 87 Ca 0.40 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2wgo s ARG 87 Cb -0.17 -1.64 -0.00 0.00 0.52 0.00 0.00 34.95 33.66 2wgo s ARG 87 CO 0.13 -1.12 0.03 -0.22 0.02 0.00 0.00 175.30 174.13 2wgo h LYS 88 N 7.40 -0.02 0.00 3.54 3.64 -1.92 -3.37 116.57 125.84 2wgo h LYS 88 Ca -0.04 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 2wgo h LYS 88 Cb 0.98 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2wgo h LYS 88 CO 0.38 -0.01 -0.85 -0.44 -2.27 0.00 0.00 179.45 176.26 2wgo h ASP 89 N -0.58 0.12 -4.19 4.20 5.19 -1.96 -3.43 116.42 115.77 2wgo h ASP 89 Ca -0.00 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2wgo h ASP 89 Cb 0.01 -0.04 -0.22 0.00 0.18 0.00 0.00 39.33 39.27 2wgo h ASP 89 CO 0.00 0.91 0.27 -0.62 -3.12 0.00 0.00 179.24 176.69 2wgo s ASP 90 N -6.85 -0.61 0.00 6.45 3.68 -1.26 -5.03 116.67 113.05 2wgo s ASP 90 Ca -0.01 0.95 0.20 0.00 2.13 0.00 0.00 52.55 55.81 2wgo s ASP 90 Cb 0.11 0.88 -0.15 0.00 -1.45 0.00 0.00 42.92 42.31 2wgo s ASP 90 CO 0.81 -0.36 0.90 -0.90 0.13 0.00 0.00 175.17 175.75 2wgo n ASP 91 N 1.73 1.24 0.00 -0.34 5.75 -1.26 -4.76 116.55 118.91 2wgo n ASP 91 Ca -0.15 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 2wgo n ASP 91 Cb 0.56 0.84 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2wgo n ASP 92 N -1.04 0.00 0.00 -1.12 -0.08 -1.26 -4.71 116.55 108.33 2wgo n ASP 92 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2wgo n ASP 92 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2wgo n ASP 93 N 2.26 0.00 -3.02 1.67 -0.08 -1.26 -5.18 116.55 110.94 2wgo n ASP 93 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2wgo n ASP 93 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2wgo n ASP 94 N 0.00 0.00 -2.06 1.67 -0.08 -1.26 -4.92 116.55 109.91 2wgo n ASP 94 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 2wgo n ASP 94 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 95 N 4.90 -2.06 0.14 0.27 0.00 -1.26 -5.19 105.19 101.99 2wgo n GLY 95 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.34 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60