#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 6.43 -0.23 1.61 0.01 -1.25 -4.12 113.70 116.15 2wgo s SER 0 Ca 0.00 1.33 -0.18 0.00 1.31 0.00 0.00 55.95 58.41 2wgo s SER 0 Cb 0.00 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.76 2wgo s SER 0 CO 0.00 -1.27 0.59 -1.48 0.41 0.00 0.00 173.24 171.49 2wgo s LEU 1 N 5.11 -0.41 0.00 2.44 0.05 -1.26 -3.97 118.68 120.64 2wgo s LEU 1 Ca 0.65 1.23 0.00 0.00 0.05 0.00 0.00 54.13 56.06 2wgo s LEU 1 Cb -0.20 2.01 0.00 0.00 -2.05 0.00 0.00 46.19 45.95 2wgo s LEU 1 CO 0.28 -0.21 0.00 0.00 -0.55 0.00 0.00 176.35 175.87 2wgo n ILE 2 N 3.39 0.00 0.00 1.48 0.13 -1.26 -4.78 119.36 118.31 2wgo n ILE 2 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 2wgo n ILE 2 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.37 2wgo n ILE 2 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2wgo n LEU 3 N 0.00 0.00 -1.46 9.51 4.32 -1.26 -1.77 117.00 126.34 2wgo n LEU 3 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 2wgo n LEU 3 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 2wgo n LEU 3 CO 0.00 0.00 -0.18 0.47 -1.22 0.00 0.00 177.39 176.46 2wgo n ASP 4 N 0.16 -5.22 0.00 -1.43 9.92 -0.95 0.04 116.55 119.06 2wgo n ASP 4 Ca 0.00 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2wgo n ASP 4 Cb 0.00 -4.34 0.00 0.00 -0.64 0.00 0.00 41.12 36.14 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wgo n GLY 5 N -0.74 1.01 0.02 0.44 0.00 0.19 -4.45 105.19 101.65 2wgo n GLY 5 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.52 -1.34 1.61 2.03 0.11 -4.40 116.55 115.08 2wgo n ASP 6 Ca 0.00 -0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.15 2wgo n ASP 6 Cb 0.00 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 7 N -1.71 -1.73 -4.56 -2.67 4.77 -1.19 -4.89 117.00 105.02 2wgo n LEU 7 Ca 0.05 -0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2wgo n LEU 7 Cb 0.37 -1.69 -0.05 0.00 -2.33 0.00 0.00 43.42 39.71 2wgo n LEU 7 CO 0.35 -0.01 1.50 -0.76 -1.33 0.00 0.00 177.39 177.13 2wgo s LEU 8 N -3.17 3.06 -1.08 2.23 1.43 -1.26 -4.85 118.68 115.04 2wgo s LEU 8 Ca 0.06 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2wgo s LEU 8 Cb -0.03 -2.53 0.30 0.00 0.03 0.00 0.00 46.19 43.96 2wgo s LEU 8 CO 0.08 -3.50 1.40 2.29 0.23 0.00 0.00 176.35 176.86 2wgo n LYS 9 N 8.89 4.28 0.15 1.70 2.85 -1.26 -4.77 118.16 130.00 2wgo n LYS 9 Ca 0.43 -4.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.15 2wgo n LYS 9 Cb 0.47 -2.51 0.28 0.00 -0.65 0.00 0.00 35.03 32.62 2wgo n LYS 9 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2wgo h ASP 10 N 5.63 0.07 -4.29 -5.58 1.82 -2.04 -3.43 116.42 108.61 2wgo h ASP 10 Ca 0.20 -0.03 -0.30 0.00 -0.39 0.00 0.00 57.03 56.50 2wgo h ASP 10 Cb 0.66 -0.02 -0.25 0.00 0.68 0.00 0.00 39.33 40.40 2wgo h ASP 10 CO 1.27 0.50 -0.75 -0.54 -1.61 0.00 0.00 179.24 178.12 2wgo s LYS 11 N -4.05 0.47 0.07 0.28 -0.14 -1.26 -5.15 119.74 109.95 2wgo s LYS 11 Ca -0.03 -0.44 -0.27 0.00 -1.36 0.00 0.00 55.97 53.87 2wgo s LYS 11 Cb 0.14 -0.36 0.09 0.00 -1.68 0.00 0.00 37.83 36.01 2wgo s LYS 11 CO 0.75 0.09 0.96 -1.17 -0.76 0.00 0.00 175.35 175.21 2wgo s LEU 12 N -0.77 -0.25 -1.70 3.17 2.96 -1.26 -4.96 118.68 115.87 2wgo s LEU 12 Ca -0.03 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2wgo s LEU 12 Cb -0.06 2.03 0.00 0.00 0.50 0.00 0.00 46.19 48.67 2wgo s LEU 12 CO 0.00 -0.73 0.00 0.29 -1.32 0.00 0.00 176.35 174.59 2wgo n LYS 13 N -0.37 -1.12 -1.87 1.98 5.02 -1.26 -4.95 118.16 115.60 2wgo n LYS 13 Ca -0.07 1.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.96 2wgo n LYS 13 Cb 0.61 -5.25 0.03 0.00 -0.02 0.00 0.00 35.03 30.41 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgo s LEU 14 N -3.65 3.41 0.00 -0.35 1.43 -1.26 -5.06 118.68 113.19 2wgo s LEU 14 Ca 0.00 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2wgo s LEU 14 Cb 0.00 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.73 2wgo s LEU 14 CO 0.00 -1.40 0.14 -2.65 0.23 0.00 0.00 176.35 172.67 2wgo n PRO 15 N -2.32 -1.75 -1.93 1.29 -0.02 -1.26 -4.70 135.00 124.30 2wgo n PRO 15 Ca 0.09 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 2wgo n PRO 15 Cb 0.53 -0.24 -0.03 0.00 -0.02 0.00 0.00 33.50 33.74 2wgo n PRO 15 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wgo s VAL 16 N -1.22 3.29 0.52 -1.45 0.11 -1.26 -4.68 120.40 115.71 2wgo s VAL 16 Ca 0.10 0.53 0.06 0.00 -2.93 0.00 0.00 61.98 59.74 2wgo s VAL 16 Cb -0.01 -3.34 0.06 0.00 -1.53 0.00 0.00 36.38 31.56 2wgo s VAL 16 CO 0.08 -0.03 0.52 2.30 -3.33 0.00 0.00 175.10 174.64 2wgo n ILE 17 N 5.18 0.00 0.00 7.04 -5.35 0.22 -4.88 119.36 121.57 2wgo n ILE 17 Ca 0.17 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.73 2wgo n ILE 17 Cb 0.42 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 2wgo n ILE 17 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2wgo n ASP 18 N -2.06 0.00 -4.25 7.28 2.03 -1.26 -3.09 116.55 115.20 2wgo n ASP 18 Ca 0.05 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.25 2wgo n ASP 18 Cb 0.57 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 2wgo n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2wgo n ASN 19 N 0.00 -1.74 -3.77 1.67 5.15 -1.26 -1.77 115.26 113.54 2wgo n ASN 19 Ca 0.00 -0.99 -0.28 0.00 -0.60 0.00 0.00 54.58 52.71 2wgo n ASN 19 Cb 0.00 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.62 2wgo n ASN 19 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wgo n LEU 20 N 5.01 -0.65 0.03 1.20 4.77 -1.26 -4.73 117.00 121.37 2wgo n LEU 20 Ca 0.33 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2wgo n LEU 20 Cb 0.32 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2wgo n LEU 20 CO 0.79 0.18 0.00 0.49 -1.33 0.00 0.00 177.39 177.52 2wgo n PHE 21 N -3.31 -0.26 0.02 -1.77 3.01 -0.73 -4.52 117.46 109.90 2wgo n PHE 21 Ca -0.04 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 2wgo n PHE 21 Cb 0.40 0.16 -0.08 0.00 -0.01 0.00 0.00 39.48 39.95 2wgo n PHE 21 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wgo h GLY 22 N 0.00 -0.02 0.83 1.37 0.00 -1.85 -0.01 103.07 103.40 2wgo h GLY 22 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2wgo h GLY 22 CO 0.00 -0.01 0.52 0.50 0.00 0.00 0.00 176.54 177.55 2wgo h LYS 23 N -0.24 0.71 0.04 4.80 1.79 -1.90 -1.45 116.57 120.33 2wgo h LYS 23 Ca -0.00 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2wgo h LYS 23 Cb 0.23 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2wgo h LYS 23 CO 0.00 0.47 -0.02 0.93 -1.08 0.00 0.00 179.45 179.75 2wgo h GLU 24 N 0.73 -0.05 -0.10 3.15 5.08 -1.72 -2.28 114.58 119.39 2wgo h GLU 24 Ca 0.37 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2wgo h GLU 24 Cb 0.45 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2wgo h GLU 24 CO -0.14 0.22 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.74 2wgo h LEU 25 N -0.32 -0.89 -1.10 1.33 3.38 0.03 -1.04 115.31 116.71 2wgo h LEU 25 Ca -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wgo h LEU 25 Cb 0.29 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2wgo h LEU 25 CO 0.01 -0.23 0.47 -0.07 0.09 0.00 0.00 178.44 178.70 2wgo h LEU 26 N -0.27 0.96 -1.16 1.67 4.07 -1.46 0.45 115.31 119.57 2wgo h LEU 26 Ca 0.02 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2wgo h LEU 26 Cb 0.33 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2wgo h LEU 26 CO -0.24 0.75 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.92 2wgo h ASP 27 N 1.10 0.37 0.06 -0.43 1.82 -1.10 0.46 116.42 118.70 2wgo h ASP 27 Ca 0.28 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.71 2wgo h ASP 27 Cb -0.03 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 39.90 2wgo h ASP 27 CO -0.05 0.56 -0.52 0.11 -1.61 0.00 0.00 179.24 177.73 2wgo h LYS 28 N 0.35 0.24 0.00 0.28 1.57 -0.09 -3.29 116.57 115.62 2wgo h LYS 28 Ca 0.06 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2wgo h LYS 28 Cb 0.51 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wgo h LYS 28 CO 0.03 1.11 0.00 1.19 -0.57 0.00 0.00 179.45 181.21 2wgo n PHE 29 N -4.30 0.00 -0.17 -1.35 3.01 0.15 0.11 117.46 114.91 2wgo n PHE 29 Ca -0.12 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.33 2wgo n PHE 29 Cb 0.67 -0.49 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2wgo h GLN 30 N 0.00 0.21 -0.99 -1.08 4.15 -0.16 0.18 115.11 117.41 2wgo h GLN 30 Ca 0.00 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.52 2wgo h GLN 30 Cb 0.25 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 2wgo h GLN 30 CO 0.00 0.14 0.63 -0.44 -1.93 0.00 0.00 178.83 177.22 2wgo h ASP 31 N 0.21 0.91 0.05 -0.69 3.32 -1.82 0.77 116.42 119.17 2wgo h ASP 31 Ca 0.27 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 2wgo h ASP 31 Cb 0.40 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wgo h ASP 31 CO -0.38 0.49 -0.73 0.44 -1.72 0.00 0.00 179.24 177.35 2wgo h ASP 32 N 0.98 0.55 -0.17 6.45 3.32 -1.40 0.73 116.42 126.88 2wgo h ASP 32 Ca 0.48 -0.82 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2wgo h ASP 32 Cb 0.48 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2wgo h ASP 32 CO -0.25 1.31 -0.00 0.40 -1.72 0.00 0.00 179.24 178.98 2wgo h ILE 33 N -0.14 1.17 0.00 0.35 2.04 -0.08 0.35 117.51 121.20 2wgo h ILE 33 Ca -0.11 -0.68 -0.20 0.00 1.00 0.00 0.00 64.86 64.88 2wgo h ILE 33 Cb 1.47 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2wgo h ILE 33 CO 0.14 0.23 -0.98 0.50 0.00 0.00 0.00 178.15 178.04 2wgo h LYS 34 N 0.42 0.00 0.02 2.37 3.64 0.54 0.36 116.57 123.91 2wgo h LYS 34 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2wgo h LYS 34 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wgo h LYS 34 CO 0.01 0.88 -0.01 0.22 -2.27 0.00 0.00 179.45 178.27 2wgo h ASP 35 N 0.00 -0.03 0.01 4.20 3.58 -0.34 -1.11 116.42 122.73 2wgo h ASP 35 Ca -0.03 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 2wgo h ASP 35 Cb 1.72 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2wgo h ASP 35 CO 0.12 0.47 -0.00 0.11 -2.88 0.00 0.00 179.24 177.06 2wgo h LYS 36 N -0.54 -0.01 0.00 0.28 1.57 -0.31 -3.41 116.57 114.15 2wgo h LYS 36 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2wgo h LYS 36 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2wgo h LYS 36 CO 0.01 0.31 -1.14 0.66 -0.57 0.00 0.00 179.45 178.71 2wgo n TYR 37 N -4.94 0.00 -0.40 -1.35 4.01 0.11 -5.08 117.16 109.51 2wgo n TYR 37 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2wgo n TYR 37 Cb 0.17 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 3.26 0.80 3.27 2.72 0.00 -0.42 -4.95 105.19 109.87 2wgo n GLY 38 Ca -0.04 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.27 1.62 -0.21 1.61 1.01 -1.25 -4.91 120.40 115.99 2wgo s VAL 39 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 2wgo s VAL 39 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2wgo s VAL 39 CO 0.00 -0.10 0.15 -0.62 0.00 0.00 0.00 175.10 174.52 2wgo s ASP 40 N -1.93 6.18 0.00 3.32 2.15 -1.26 -4.25 116.67 120.88 2wgo s ASP 40 Ca 0.06 0.20 0.27 0.00 0.43 0.00 0.00 52.55 53.50 2wgo s ASP 40 Cb -0.10 -2.10 0.80 0.00 -0.30 0.00 0.00 42.92 41.22 2wgo s ASP 40 CO 0.04 0.13 1.62 0.35 -0.17 0.00 0.00 175.17 177.14 2wgo n THR 41 N 3.81 0.00 0.99 1.71 -2.24 -1.26 -2.82 114.28 114.47 2wgo n THR 41 Ca -0.15 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 2wgo n THR 41 Cb 0.52 -0.01 0.17 0.00 -2.10 0.00 0.00 70.33 68.90 2wgo n THR 41 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wgo n LYS 42 N -1.44 0.01 0.10 -0.78 4.81 -1.26 -3.36 118.16 116.24 2wgo n LYS 42 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.48 2wgo n LYS 42 Cb 0.33 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.91 2wgo n LYS 42 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2wgo h ASP 43 N 0.00 0.00 -3.42 3.14 1.82 -1.93 -3.42 116.42 112.61 2wgo h ASP 43 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 2wgo h ASP 43 Cb 0.51 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.45 2wgo h ASP 43 CO 0.00 0.78 1.00 -0.76 -1.61 0.00 0.00 179.24 178.65 2wgo s LEU 44 N -7.04 3.57 -0.34 2.28 1.43 -1.21 -4.81 118.68 112.56 2wgo s LEU 44 Ca 0.00 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.36 2wgo s LEU 44 Cb 0.11 -3.46 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 2wgo s LEU 44 CO 0.78 -1.39 1.50 -0.75 0.23 0.00 0.00 176.35 176.72 2wgo s LYS 45 N 4.80 3.64 -0.36 1.70 2.20 -0.98 -4.84 119.74 125.89 2wgo s LYS 45 Ca 0.53 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 57.08 2wgo s LYS 45 Cb -0.10 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 2wgo s LYS 45 CO 0.31 -1.48 1.42 0.42 -0.36 0.00 0.00 175.35 175.67 2wgo s ILE 46 N 5.43 3.92 -0.03 5.43 1.01 -1.26 -0.73 121.20 134.97 2wgo s ILE 46 Ca 0.66 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 62.26 2wgo s ILE 46 Cb -0.18 -4.12 -0.27 0.00 0.01 0.00 0.00 42.46 37.90 2wgo s ILE 46 CO 0.30 -0.63 0.73 -0.07 0.00 0.00 0.00 174.94 175.27 2wgo h LEU 47 N 11.92 0.35 -6.90 2.97 3.38 -0.04 -3.47 115.31 123.54 2wgo h LEU 47 Ca -0.28 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.14 2wgo h LEU 47 Cb 1.11 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 2wgo h LEU 47 CO 1.06 1.48 -0.25 -0.75 0.09 0.00 0.00 178.44 180.08 2wgo s LYS 48 N -2.60 0.48 -0.20 1.13 2.20 -0.92 -4.98 119.74 114.84 2wgo s LYS 48 Ca -0.11 1.22 -0.06 0.00 -0.36 0.00 0.00 55.97 56.65 2wgo s LYS 48 Cb 0.07 0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 36.94 2wgo s LYS 48 CO 0.83 -0.29 0.03 0.99 -0.36 0.00 0.00 175.35 176.55 2wgo s THR 49 N 2.78 4.29 0.28 3.43 2.01 -1.18 -0.07 115.64 127.18 2wgo s THR 49 Ca -0.01 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 2wgo s THR 49 Cb -0.13 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.45 2wgo s THR 49 CO -0.17 0.43 0.60 -0.44 -0.69 0.00 0.00 174.62 174.35 2wgo s SER 50 N 0.84 -0.12 0.28 3.53 0.01 -0.88 0.72 113.70 118.09 2wgo s SER 50 Ca 0.02 -0.83 0.04 0.00 1.31 0.00 0.00 55.95 56.49 2wgo s SER 50 Cb -0.14 0.67 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 2wgo s SER 50 CO 0.02 -1.28 0.22 -1.83 0.41 0.00 0.00 173.24 170.78 2wgo s GLU 51 N -3.81 1.55 0.00 12.44 -1.05 -1.26 -0.07 118.70 126.50 2wgo s GLU 51 Ca 0.17 -1.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.12 2wgo s GLU 51 Cb -0.03 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2wgo s GLU 51 CO 0.09 -0.54 0.00 -3.47 0.95 0.00 0.00 175.26 172.28 2wgo n ASP 52 N -1.06 0.00 -4.55 0.83 -0.08 0.15 -4.49 116.55 107.35 2wgo n ASP 52 Ca 0.05 -0.22 -0.39 0.00 -1.51 0.00 0.00 54.79 52.72 2wgo n ASP 52 Cb 0.64 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.06 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2wgo n LYS 53 N 0.00 1.23 0.00 -0.67 4.76 -1.26 -2.68 118.16 119.54 2wgo n LYS 53 Ca 0.00 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2wgo n LYS 53 Cb 0.00 -3.23 0.00 0.00 -1.84 0.00 0.00 35.03 29.96 2wgo n LYS 53 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wgo n ARG 54 N 8.87 0.00 -4.36 1.97 0.63 -1.26 -4.95 116.66 117.55 2wgo n ARG 54 Ca 0.37 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.96 2wgo n ARG 54 Cb 0.47 -1.23 -0.09 0.00 0.45 0.00 0.00 32.46 32.06 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wgo s PHE 55 N -0.75 3.10 -0.03 -0.14 0.08 -1.09 -4.04 117.98 115.11 2wgo s PHE 55 Ca 0.00 0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2wgo s PHE 55 Cb 0.00 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2wgo s PHE 55 CO 0.00 0.45 -0.05 0.71 -0.10 0.00 0.00 175.22 176.23 2wgo s TYR 56 N -0.96 2.96 -0.14 0.36 2.02 0.31 0.32 117.35 122.21 2wgo s TYR 56 Ca 0.16 0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.86 2wgo s TYR 56 Cb -0.11 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2wgo s TYR 56 CO 0.06 0.38 -0.01 0.71 -1.57 0.00 0.00 175.55 175.12 2wgo s TYR 57 N -0.93 1.14 -0.48 2.71 2.02 0.90 -0.77 117.35 121.92 2wgo s TYR 57 Ca 0.15 -0.71 -0.07 0.00 -0.37 0.00 0.00 57.07 56.08 2wgo s TYR 57 Cb -0.11 -1.05 0.12 0.00 -0.40 0.00 0.00 41.96 40.52 2wgo s TYR 57 CO 0.05 -0.52 0.33 0.08 -1.57 0.00 0.00 175.55 173.93 2wgo s VAL 58 N 1.82 3.98 0.03 0.71 1.01 -0.67 -2.06 120.40 125.23 2wgo s VAL 58 Ca 0.02 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.70 2wgo s VAL 58 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2wgo s VAL 58 CO -0.07 -0.77 1.20 -0.44 0.00 0.00 0.00 175.10 175.02 2wgo s SER 59 N 2.26 7.07 0.06 3.32 0.01 0.90 0.33 113.70 127.64 2wgo s SER 59 Ca 0.08 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2wgo s SER 59 Cb -0.24 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2wgo s SER 59 CO -0.02 -0.50 -0.05 0.68 0.41 0.00 0.00 173.24 173.76 2wgo s VAL 60 N 1.35 0.38 -0.39 3.43 -7.23 0.14 0.73 120.40 118.80 2wgo s VAL 60 Ca 0.58 -1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 2wgo s VAL 60 Cb -0.28 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.46 2wgo s VAL 60 CO 0.28 -0.79 0.28 -0.62 -0.31 0.00 0.00 175.10 173.93 2wgo s ASP 61 N -2.51 6.05 0.00 4.85 3.68 0.09 0.28 116.67 129.11 2wgo s ASP 61 Ca 0.02 -0.83 0.26 0.00 2.13 0.00 0.00 52.55 54.13 2wgo s ASP 61 Cb 0.02 -2.14 1.16 0.00 -1.45 0.00 0.00 42.92 40.51 2wgo s ASP 61 CO -0.05 -0.40 1.79 0.00 0.13 0.00 0.00 175.17 176.64 2wgo n ALA 62 N 5.13 2.59 -2.00 3.66 0.00 0.12 -2.33 120.51 127.68 2wgo n ALA 62 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2wgo n ALA 62 Cb 0.47 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.10 0.55 2.93 0.00 0.00 -1.26 -4.91 105.19 103.61 2wgo n GLY 63 Ca 0.19 0.46 -0.31 0.00 0.00 0.00 0.00 46.02 46.36 2wgo n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 64 N 0.00 3.58 0.00 1.61 -0.08 -1.26 -4.63 116.55 115.77 2wgo n ASP 64 Ca 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 2wgo n ASP 64 Cb 0.00 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 42.60 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 65 N 1.96 0.75 3.58 0.27 0.00 -1.26 -4.96 105.19 105.53 2wgo n GLY 65 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.47 3.81 0.10 1.61 2.02 -1.26 -4.94 118.70 119.56 2wgo s GLU 66 Ca 0.00 -1.77 -0.27 0.00 0.02 0.00 0.00 54.97 52.95 2wgo s GLU 66 Cb 0.00 -5.48 -0.06 0.00 0.10 0.00 0.00 34.13 28.69 2wgo s GLU 66 CO 0.00 -2.37 0.86 0.21 0.02 0.00 0.00 175.26 173.98 2wgo s LYS 67 N 4.54 4.61 0.20 1.61 2.20 -1.26 0.16 119.74 131.79 2wgo s LYS 67 Ca 0.54 1.26 -0.00 0.00 -0.36 0.00 0.00 55.97 57.40 2wgo s LYS 67 Cb 0.03 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2wgo s LYS 67 CO 0.05 0.30 0.11 0.00 -0.36 0.00 0.00 175.35 175.45 2wgo s LYS 69 N -4.11 0.22 -0.03 0.00 2.20 -0.67 0.23 119.74 117.58 2wgo s LYS 69 Ca 0.36 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 2wgo s LYS 69 Cb 0.07 -0.98 -0.06 0.00 -1.51 0.00 0.00 37.83 35.36 2wgo s LYS 69 CO 0.11 -0.62 1.53 -0.06 -0.36 0.00 0.00 175.35 175.94 2wgo s PHE 70 N 2.37 2.44 -1.28 4.03 0.08 0.15 -2.96 117.98 122.81 2wgo s PHE 70 Ca 0.08 0.51 -0.10 0.00 0.12 0.00 0.00 56.93 57.54 2wgo s PHE 70 Cb -0.15 -3.79 0.16 0.00 -0.57 0.00 0.00 43.02 38.66 2wgo s PHE 70 CO -0.12 -3.15 1.84 1.17 -0.10 0.00 0.00 175.22 174.85 2wgo n LYS 71 N 6.22 3.53 -2.56 0.44 4.81 -0.33 -1.66 118.16 128.60 2wgo n LYS 71 Ca 0.15 -3.51 -0.41 0.00 -0.87 0.00 0.00 58.31 53.67 2wgo n LYS 71 Cb 0.43 -2.97 -0.03 0.00 0.02 0.00 0.00 35.03 32.48 2wgo n LYS 71 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wgo s ILE 72 N 0.78 3.87 -2.00 3.15 1.01 0.05 -2.50 121.20 125.56 2wgo s ILE 72 Ca 0.41 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2wgo s ILE 72 Cb 0.08 -5.02 0.09 0.00 0.01 0.00 0.00 42.46 37.62 2wgo s ILE 72 CO -0.00 -1.91 0.77 -1.14 0.00 0.00 0.00 174.94 172.65 2wgo n ARG 73 N 9.01 0.62 -1.01 2.79 0.63 -1.26 0.11 116.66 127.55 2wgo n ARG 73 Ca 0.25 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.31 2wgo n ARG 73 Cb 0.50 -1.08 -0.04 0.00 0.45 0.00 0.00 32.46 32.29 2wgo n ARG 73 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wgo n LYS 74 N -0.58 -2.14 -2.45 -0.14 5.02 -1.26 -4.30 118.16 112.32 2wgo n LYS 74 Ca 0.02 1.56 -0.38 0.00 -2.02 0.00 0.00 58.31 57.49 2wgo n LYS 74 Cb 0.01 -2.57 -0.03 0.00 -0.02 0.00 0.00 35.03 32.42 2wgo n LYS 74 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wgo s ASP 75 N -6.32 6.24 -0.38 4.39 3.68 -0.73 -4.82 116.67 118.73 2wgo s ASP 75 Ca 0.00 -1.50 -0.01 0.00 2.13 0.00 0.00 52.55 53.18 2wgo s ASP 75 Cb 0.00 -2.57 0.10 0.00 -1.45 0.00 0.00 42.92 39.00 2wgo s ASP 75 CO 0.00 -1.75 0.14 0.54 0.13 0.00 0.00 175.17 174.23 2wgo s VAL 76 N 6.07 2.95 0.00 1.11 0.11 -1.26 0.53 120.40 129.91 2wgo s VAL 76 Ca 0.53 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 2wgo s VAL 76 Cb -0.01 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 2wgo s VAL 76 CO -0.04 -0.62 0.00 -0.67 -3.33 0.00 0.00 175.10 170.44 2wgo n ASP 77 N 4.49 0.00 -4.81 3.54 2.03 -1.26 -4.79 116.55 115.75 2wgo n ASP 77 Ca -0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.97 2wgo n ASP 77 Cb 0.42 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.75 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wgo s VAL 78 N 0.00 4.87 -0.06 5.18 -7.23 -1.26 -4.87 120.40 117.03 2wgo s VAL 78 Ca 0.00 -0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.51 2wgo s VAL 78 Cb 0.00 -3.27 -0.17 0.00 0.56 0.00 0.00 36.38 33.49 2wgo s VAL 78 CO 0.00 0.28 0.92 1.55 -0.31 0.00 0.00 175.10 177.54 2wgo h PRO 79 N 3.80 -0.14 -7.18 4.82 0.13 -1.87 -3.39 132.00 128.16 2wgo h PRO 79 Ca -0.48 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 2wgo h PRO 79 Cb 1.18 0.03 0.13 0.00 0.13 0.00 0.00 31.00 32.47 2wgo h PRO 79 CO 0.65 0.35 0.39 -1.59 -0.23 0.00 0.00 178.00 177.58 2wgo s LYS 80 N -3.41 2.48 0.49 0.86 -2.85 -1.25 -4.03 119.74 112.02 2wgo s LYS 80 Ca -0.14 1.60 -0.23 0.00 -1.00 0.00 0.00 55.97 56.20 2wgo s LYS 80 Cb 0.00 -1.89 -0.06 0.00 -2.06 0.00 0.00 37.83 33.82 2wgo s LYS 80 CO 0.53 -1.54 1.27 1.41 0.10 0.00 0.00 175.35 177.12 2wgo s MET 81 N -3.96 3.49 0.00 1.78 -2.45 -1.26 -4.88 119.30 112.02 2wgo s MET 81 Ca 0.71 2.03 -0.16 0.00 -1.25 0.00 0.00 55.69 57.02 2wgo s MET 81 Cb -0.25 -2.37 -0.34 0.00 1.25 0.00 0.00 34.83 33.12 2wgo s MET 81 CO 0.43 -0.84 0.92 -0.24 1.05 0.00 0.00 175.02 176.33 2wgo h VAL 82 N 1.73 1.26 -3.71 10.11 3.04 -1.89 -3.49 116.25 123.30 2wgo h VAL 82 Ca -0.50 -2.63 -0.08 0.00 -1.01 0.00 0.00 66.70 62.48 2wgo h VAL 82 Cb 1.27 3.02 -0.13 0.00 -2.01 0.00 0.00 31.29 33.44 2wgo h VAL 82 CO 0.59 0.80 -0.27 -0.83 -1.01 0.00 0.00 177.57 176.85 2wgo s GLY 83 N -4.66 0.12 -0.35 3.17 0.00 -1.04 -5.07 107.32 99.49 2wgo s GLY 83 Ca -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.08 2wgo s GLY 83 CO 0.91 -0.68 0.38 -1.60 0.00 0.00 0.00 173.10 172.11 2wgo s ARG 84 N -3.88 0.58 -0.36 2.90 3.52 -1.26 -1.19 118.95 119.26 2wgo s ARG 84 Ca 0.09 -0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 54.97 2wgo s ARG 84 Cb 0.03 -0.63 0.02 0.00 -1.56 0.00 0.00 34.95 32.82 2wgo s ARG 84 CO -0.07 -1.15 0.18 0.21 -0.81 0.00 0.00 175.30 173.65 2wgo s LYS 85 N 1.71 2.89 -0.23 5.12 2.47 -1.16 -4.95 119.74 125.60 2wgo s LYS 85 Ca 0.15 -1.03 -0.08 0.00 -1.56 0.00 0.00 55.97 53.45 2wgo s LYS 85 Cb -0.14 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 2wgo s LYS 85 CO -0.11 -0.64 0.10 0.00 0.16 0.00 0.00 175.35 174.86 2wgo n ARG 87 N 4.42 1.59 -0.02 0.00 1.74 -1.01 -0.68 116.66 122.71 2wgo n ARG 87 Ca -0.16 -0.89 0.13 0.00 -0.77 0.00 0.00 57.85 56.16 2wgo n ARG 87 Cb 0.52 -1.35 0.48 0.00 -1.02 0.00 0.00 32.46 31.08 2wgo n ARG 87 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wgo n LYS 88 N 0.13 1.70 0.02 5.56 4.76 -1.23 -4.41 118.16 124.69 2wgo n LYS 88 Ca 0.15 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2wgo n LYS 88 Cb 0.27 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wgo n ASP 89 N 0.24 0.21 -3.61 4.39 2.03 -0.09 -5.05 116.55 114.67 2wgo n ASP 89 Ca 0.18 0.07 -0.11 0.00 0.52 0.00 0.00 54.79 55.46 2wgo n ASP 89 Cb 0.36 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.66 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 90 N -5.20 -0.46 -0.12 1.67 -1.08 0.15 -5.07 116.67 106.55 2wgo s ASP 90 Ca 0.00 0.77 -0.00 0.00 -0.52 0.00 0.00 52.55 52.79 2wgo s ASP 90 Cb 0.00 0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 42.17 2wgo s ASP 90 CO 0.00 -0.25 -0.10 -0.62 0.52 0.00 0.00 175.17 174.72 2wgo s ASP 91 N -0.26 4.26 0.09 -0.34 -1.08 -1.26 -3.98 116.67 114.10 2wgo s ASP 91 Ca 0.00 -0.23 0.08 0.00 -0.52 0.00 0.00 52.55 51.89 2wgo s ASP 91 Cb -0.03 -1.51 -0.03 0.00 -1.46 0.00 0.00 42.92 39.89 2wgo s ASP 91 CO -0.02 0.21 -0.21 -0.62 0.52 0.00 0.00 175.17 175.05 2wgo s ASP 92 N 0.09 2.59 0.00 -0.34 2.15 -1.26 -5.04 116.67 114.86 2wgo s ASP 92 Ca -0.04 -0.65 0.24 0.00 0.43 0.00 0.00 52.55 52.53 2wgo s ASP 92 Cb -0.14 -0.16 0.27 0.00 -0.30 0.00 0.00 42.92 42.58 2wgo s ASP 92 CO 0.04 0.10 1.25 -0.90 -0.17 0.00 0.00 175.17 175.49 2wgo n ASP 93 N 1.27 1.30 -4.57 -0.34 5.68 -1.26 -4.80 116.55 113.82 2wgo n ASP 93 Ca -0.19 -1.04 -0.41 0.00 -0.50 0.00 0.00 54.79 52.65 2wgo n ASP 93 Cb 0.53 0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 40.92 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2wgo s ASP 94 N -2.66 5.73 1.67 -1.12 2.15 -1.26 -4.75 116.67 116.44 2wgo s ASP 94 Ca 0.17 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2wgo s ASP 94 Cb 0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2wgo s ASP 94 CO 0.63 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.28 2wgo n GLY 95 N 5.47 3.70 3.56 2.66 0.00 -1.26 -5.11 105.19 114.20 2wgo n GLY 95 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30