#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 6.63 0.00 1.61 0.15 0.11 -4.78 113.70 117.42 2wgo s SER 0 Ca 0.00 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2wgo s SER 0 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2wgo s SER 0 CO 0.00 -0.18 0.00 0.18 1.20 0.00 0.00 173.24 174.44 2wgo n LEU 1 N -0.50 0.00 0.00 3.45 4.77 -1.26 -4.54 117.00 118.92 2wgo n LEU 1 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2wgo n LEU 1 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2wgo n LEU 1 CO 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 2wgo n ILE 2 N 0.00 0.00 -4.42 -0.08 0.13 -1.26 -2.70 119.36 111.03 2wgo n ILE 2 Ca 0.00 0.00 -0.21 0.00 -1.10 0.00 0.00 62.75 61.44 2wgo n ILE 2 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.70 2wgo n ILE 2 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wgo s LEU 3 N 0.00 2.56 -0.66 9.51 1.43 -1.26 -4.92 118.68 125.34 2wgo s LEU 3 Ca 0.00 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.06 2wgo s LEU 3 Cb 0.00 -0.80 0.17 0.00 0.03 0.00 0.00 46.19 45.58 2wgo s LEU 3 CO 0.00 -0.17 0.46 -0.62 0.23 0.00 0.00 176.35 176.25 2wgo s ASP 4 N -3.43 4.50 -1.07 2.29 2.15 -1.26 -4.62 116.67 115.23 2wgo s ASP 4 Ca 0.27 -3.72 -0.05 0.00 0.43 0.00 0.00 52.55 49.49 2wgo s ASP 4 Cb -0.00 -1.53 0.01 0.00 -0.30 0.00 0.00 42.92 41.09 2wgo s ASP 4 CO 0.11 -0.10 0.92 0.61 -0.17 0.00 0.00 175.17 176.54 2wgo n GLY 5 N 2.14 -0.26 2.23 2.66 0.00 -1.09 -4.38 105.19 106.49 2wgo n GLY 5 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.41 -2.49 -3.36 1.61 2.03 0.11 -4.83 116.55 107.21 2wgo n ASP 6 Ca -0.08 0.89 -0.13 0.00 0.52 0.00 0.00 54.79 55.98 2wgo n ASP 6 Cb 0.58 -3.79 -0.08 0.00 -0.72 0.00 0.00 41.12 37.12 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgo s LEU 7 N -0.63 -0.48 -0.00 -2.67 1.43 -1.26 -5.05 118.68 110.01 2wgo s LEU 7 Ca -0.13 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2wgo s LEU 7 Cb 0.01 0.77 -0.00 0.00 0.03 0.00 0.00 46.19 47.00 2wgo s LEU 7 CO 0.52 -0.37 -0.02 -0.11 0.23 0.00 0.00 176.35 176.59 2wgo n LEU 8 N 5.33 0.26 0.00 1.79 7.94 -1.26 -4.69 117.00 126.37 2wgo n LEU 8 Ca -0.01 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2wgo n LEU 8 Cb 0.48 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.18 2wgo n LEU 8 CO -0.01 -0.51 0.00 0.29 -1.11 0.00 0.00 177.39 176.05 2wgo n LYS 9 N -2.75 0.00 -4.84 1.96 5.02 -1.26 -4.77 118.16 111.52 2wgo n LYS 9 Ca -0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2wgo n LYS 9 Cb 0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.89 2wgo n LYS 9 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wgo s ASP 10 N 0.00 2.20 0.00 4.39 3.68 -1.26 -4.99 116.67 120.69 2wgo s ASP 10 Ca 0.00 -0.37 0.00 0.00 2.13 0.00 0.00 52.55 54.31 2wgo s ASP 10 Cb 0.00 -0.70 0.00 0.00 -1.45 0.00 0.00 42.92 40.77 2wgo s ASP 10 CO 0.00 0.14 0.09 2.29 0.13 0.00 0.00 175.17 177.82 2wgo n LYS 11 N 3.26 0.00 -4.21 4.34 -0.00 -1.26 -5.09 118.16 115.19 2wgo n LYS 11 Ca -0.19 -0.09 -0.34 0.00 -0.00 0.00 0.00 58.31 57.69 2wgo n LYS 11 Cb 0.53 -0.26 -0.12 0.00 -0.00 0.00 0.00 35.03 35.18 2wgo n LYS 11 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2wgo s LEU 12 N 0.00 3.40 0.17 -5.58 2.34 -1.26 -4.77 118.68 112.99 2wgo s LEU 12 Ca 0.00 -0.09 0.01 0.00 0.06 0.00 0.00 54.13 54.10 2wgo s LEU 12 Cb 0.00 -1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 43.74 2wgo s LEU 12 CO 0.00 0.14 0.04 -0.75 -1.06 0.00 0.00 176.35 174.72 2wgo s LYS 13 N 0.54 1.10 0.91 1.48 2.20 -1.26 -5.15 119.74 119.56 2wgo s LYS 13 Ca -0.01 -1.54 -0.12 0.00 -0.36 0.00 0.00 55.97 53.94 2wgo s LYS 13 Cb -0.14 -0.08 0.06 0.00 -1.51 0.00 0.00 37.83 36.17 2wgo s LYS 13 CO 0.02 -0.21 0.68 1.28 -0.36 0.00 0.00 175.35 176.77 2wgo n LEU 14 N -0.23 1.22 -4.47 5.43 4.77 -1.26 -4.87 117.00 117.60 2wgo n LEU 14 Ca -0.05 0.40 -0.48 0.00 -0.03 0.00 0.00 56.01 55.85 2wgo n LEU 14 Cb 0.64 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2wgo n LEU 14 CO 0.33 -3.03 0.24 -2.65 -1.33 0.00 0.00 177.39 170.95 2wgo n PRO 15 N -2.45 0.44 -2.79 3.23 -0.02 -1.26 -4.11 135.00 128.04 2wgo n PRO 15 Ca 0.09 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 2wgo n PRO 15 Cb 0.53 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.67 2wgo n PRO 15 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wgo n VAL 16 N 0.29 -3.08 -1.55 -1.45 3.14 -1.26 -4.99 118.33 109.42 2wgo n VAL 16 Ca 0.16 0.54 -0.30 0.00 -2.96 0.00 0.00 64.34 61.77 2wgo n VAL 16 Cb 0.26 -3.06 0.07 0.00 -1.06 0.00 0.00 33.84 30.04 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 -0.12 3.55 0.17 1.55 1.01 0.34 -4.87 121.20 122.83 2wgo s ILE 17 Ca -0.04 0.50 -0.33 0.00 0.00 0.00 0.00 60.65 60.78 2wgo s ILE 17 Cb 0.00 -3.24 -0.15 0.00 0.01 0.00 0.00 42.46 39.08 2wgo s ILE 17 CO 0.12 -0.66 1.27 0.47 0.00 0.00 0.00 174.94 176.14 2wgo n ASP 18 N -3.29 1.75 0.31 3.58 8.00 -1.26 -3.68 116.55 121.96 2wgo n ASP 18 Ca 0.07 1.13 0.19 0.00 0.71 0.00 0.00 54.79 56.90 2wgo n ASP 18 Cb 0.55 -1.26 0.97 0.00 -0.02 0.00 0.00 41.12 41.36 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wgo h ASN 19 N 3.91 0.00 0.31 -2.24 -1.07 -1.92 0.20 115.58 114.78 2wgo h ASN 19 Ca -0.45 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.82 2wgo h ASN 19 Cb 1.32 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.56 2wgo h ASN 19 CO 0.74 0.02 -0.43 0.25 0.07 0.00 0.00 177.43 178.08 2wgo h LEU 20 N 0.00 0.16 -0.46 6.14 5.85 -1.97 0.52 115.31 125.54 2wgo h LEU 20 Ca -0.00 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 2wgo h LEU 20 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2wgo h LEU 20 CO 0.00 0.57 -0.26 0.15 -0.34 0.00 0.00 178.44 178.57 2wgo h PHE 21 N 0.13 1.15 0.00 1.25 3.04 -1.30 0.28 116.94 121.48 2wgo h PHE 21 Ca 0.01 -0.29 -0.13 0.00 3.98 0.00 0.00 57.97 61.54 2wgo h PHE 21 Cb 0.81 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2wgo h PHE 21 CO 0.01 1.13 -0.60 0.78 -2.02 0.00 0.00 178.31 177.60 2wgo h GLY 22 N 0.84 0.00 1.08 2.40 0.00 -1.40 -2.66 103.07 103.33 2wgo h GLY 22 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2wgo h GLY 22 CO 0.07 0.00 -0.11 1.70 0.00 0.00 0.00 176.54 178.20 2wgo h LYS 23 N 0.00 1.00 -0.25 4.80 1.63 -0.38 -0.29 116.57 123.08 2wgo h LYS 23 Ca -0.01 -0.37 0.06 0.00 -0.85 0.00 0.00 60.65 59.48 2wgo h LYS 23 Cb 1.08 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 2wgo h LYS 23 CO 0.08 1.05 -0.17 0.93 -3.45 0.00 0.00 179.45 177.90 2wgo h GLU 24 N 0.86 -0.15 0.15 1.90 4.39 -0.32 0.54 114.58 121.96 2wgo h GLU 24 Ca 0.13 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2wgo h GLU 24 Cb 0.67 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2wgo h GLU 24 CO 0.05 -0.10 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.54 2wgo h LEU 25 N -0.15 -0.53 -2.02 1.33 3.38 -1.17 -2.15 115.31 114.00 2wgo h LEU 25 Ca 0.14 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.30 2wgo h LEU 25 Cb 0.36 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2wgo h LEU 25 CO -0.34 -0.24 0.41 -0.07 0.09 0.00 0.00 178.44 178.29 2wgo h LEU 26 N -0.35 0.00 0.01 1.67 3.38 -0.92 -0.04 115.31 119.06 2wgo h LEU 26 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wgo h LEU 26 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wgo h LEU 26 CO -0.04 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.70 2wgo h ASP 27 N 0.00 -0.02 0.25 -0.43 3.58 0.38 0.13 116.42 120.31 2wgo h ASP 27 Ca 0.24 -0.36 -0.15 0.00 0.42 0.00 0.00 57.03 57.17 2wgo h ASP 27 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2wgo h ASP 27 CO -0.00 0.36 -0.58 0.11 -2.88 0.00 0.00 179.24 176.25 2wgo h LYS 28 N -0.39 0.33 -0.32 0.28 1.57 -0.61 -2.94 116.57 114.48 2wgo h LYS 28 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2wgo h LYS 28 Cb 0.38 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wgo h LYS 28 CO 0.00 0.82 0.00 1.19 -0.57 0.00 0.00 179.45 180.89 2wgo n PHE 29 N -3.91 0.41 -0.31 -1.35 3.72 -0.13 -4.25 117.46 111.64 2wgo n PHE 29 Ca -0.03 -0.21 0.02 0.00 -0.05 0.00 0.00 57.45 57.19 2wgo n PHE 29 Cb 0.60 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.30 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 3.83 0.92 0.00 -1.08 4.15 -0.55 0.31 115.11 122.69 2wgo h GLN 30 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2wgo h GLN 30 Cb 0.84 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 2wgo h GLN 30 CO 0.00 0.61 -0.03 0.22 -1.93 0.00 0.00 178.83 177.70 2wgo h ASP 31 N 0.95 0.00 0.07 -0.69 3.58 -1.78 0.49 116.42 119.04 2wgo h ASP 31 Ca 0.39 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.47 2wgo h ASP 31 Cb 0.24 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 2wgo h ASP 31 CO -0.20 0.03 -2.21 -0.67 -2.88 0.00 0.00 179.24 173.31 2wgo n ASP 32 N -3.20 2.05 0.12 2.28 2.03 -0.41 -2.34 116.55 117.09 2wgo n ASP 32 Ca -0.01 0.06 -0.00 0.00 0.52 0.00 0.00 54.79 55.35 2wgo n ASP 32 Cb 0.21 -0.66 0.28 0.00 -0.72 0.00 0.00 41.12 40.24 2wgo n ASP 32 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2wgo h ILE 33 N 0.04 1.28 0.00 5.18 2.04 -0.72 0.24 117.51 125.57 2wgo h ILE 33 Ca -0.49 -1.33 -0.20 0.00 1.00 0.00 0.00 64.86 63.83 2wgo h ILE 33 Cb 1.98 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 2wgo h ILE 33 CO 0.01 0.40 -1.04 0.50 0.00 0.00 0.00 178.15 178.02 2wgo h LYS 34 N 0.16 0.00 0.15 2.37 3.64 -0.17 0.16 116.57 122.89 2wgo h LYS 34 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wgo h LYS 34 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2wgo h LYS 34 CO 0.05 0.84 -0.07 0.22 -2.27 0.00 0.00 179.45 178.21 2wgo h ASP 35 N 0.00 -0.17 -0.19 4.20 1.82 -1.13 -0.32 116.42 120.63 2wgo h ASP 35 Ca -0.05 -0.30 -0.13 0.00 -0.39 0.00 0.00 57.03 56.16 2wgo h ASP 35 Cb 1.74 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.80 2wgo h ASP 35 CO 0.11 0.24 -0.37 0.11 -1.61 0.00 0.00 179.24 177.72 2wgo h LYS 36 N -0.63 0.58 0.00 0.28 1.57 -0.59 -3.39 116.57 114.40 2wgo h LYS 36 Ca -0.02 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2wgo h LYS 36 Cb 0.47 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wgo h LYS 36 CO 0.03 0.99 -1.08 0.66 -0.57 0.00 0.00 179.45 179.49 2wgo n TYR 37 N -4.28 0.00 -2.05 -1.35 4.01 -0.01 -5.04 117.16 108.45 2wgo n TYR 37 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2wgo n TYR 37 Cb 0.52 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 2.59 0.75 3.91 2.72 0.00 -0.13 -4.96 105.19 110.07 2wgo n GLY 38 Ca -0.01 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.85 5.20 -0.24 1.61 1.01 -1.21 -4.92 120.40 119.00 2wgo s VAL 39 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2wgo s VAL 39 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.78 2wgo s VAL 39 CO 0.00 0.01 -0.06 -0.62 0.00 0.00 0.00 175.10 174.43 2wgo s ASP 40 N -2.90 4.27 0.08 3.32 2.15 -1.26 -4.12 116.67 118.21 2wgo s ASP 40 Ca 0.34 -0.74 0.24 0.00 0.43 0.00 0.00 52.55 52.82 2wgo s ASP 40 Cb -0.12 -1.68 0.96 0.00 -0.30 0.00 0.00 42.92 41.79 2wgo s ASP 40 CO 0.27 -0.10 1.75 0.35 -0.17 0.00 0.00 175.17 177.28 2wgo n THR 41 N 4.71 0.48 0.25 1.71 -2.24 -1.26 -2.06 114.28 115.87 2wgo n THR 41 Ca -0.17 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2wgo n THR 41 Cb 0.48 -0.73 0.49 0.00 -2.10 0.00 0.00 70.33 68.47 2wgo n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wgo h LYS 42 N 0.00 0.00 0.03 -0.78 1.57 -1.95 -3.02 116.57 112.42 2wgo h LYS 42 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2wgo h LYS 42 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2wgo h LYS 42 CO 0.00 0.03 -1.92 -3.47 -0.57 0.00 0.00 179.45 173.52 2wgo n ASP 43 N -3.12 1.11 -4.56 0.86 2.03 -0.87 -4.85 116.55 107.14 2wgo n ASP 43 Ca 0.02 0.27 -0.46 0.00 0.52 0.00 0.00 54.79 55.14 2wgo n ASP 43 Cb 0.40 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.63 2wgo n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 44 N -3.12 2.97 -4.53 -2.67 4.77 -1.14 -4.68 117.00 108.60 2wgo n LEU 44 Ca -0.25 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2wgo n LEU 44 Cb 1.06 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 2wgo n LEU 44 CO 0.43 -0.60 0.89 -0.75 -1.33 0.00 0.00 177.39 176.04 2wgo s LYS 45 N 6.00 3.33 -0.33 3.23 2.20 -0.90 -4.85 119.74 128.41 2wgo s LYS 45 Ca 1.02 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 56.14 2wgo s LYS 45 Cb -0.54 -4.08 -0.00 0.00 -1.51 0.00 0.00 37.83 31.70 2wgo s LYS 45 CO 0.41 -1.67 1.44 0.42 -0.36 0.00 0.00 175.35 175.60 2wgo s ILE 46 N 4.46 3.91 -0.06 5.43 1.01 -1.26 0.17 121.20 134.87 2wgo s ILE 46 Ca 0.33 0.99 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 2wgo s ILE 46 Cb -0.11 -4.05 -0.31 0.00 0.01 0.00 0.00 42.46 38.00 2wgo s ILE 46 CO 0.19 -0.55 0.79 -0.07 0.00 0.00 0.00 174.94 175.30 2wgo h LEU 47 N 11.76 0.50 -7.09 2.97 3.38 -0.29 -3.47 115.31 123.06 2wgo h LEU 47 Ca -0.29 -0.91 -0.05 0.00 0.09 0.00 0.00 57.88 56.71 2wgo h LEU 47 Cb 1.12 -0.16 -0.26 0.00 0.09 0.00 0.00 40.66 41.45 2wgo h LEU 47 CO 1.05 1.53 -0.31 -0.75 0.09 0.00 0.00 178.44 180.05 2wgo s LYS 48 N -2.47 0.39 -0.19 1.13 2.20 -0.93 -5.01 119.74 114.86 2wgo s LYS 48 Ca -0.15 1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.51 2wgo s LYS 48 Cb 0.03 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2wgo s LYS 48 CO 0.83 -0.24 0.08 0.99 -0.36 0.00 0.00 175.35 176.65 2wgo s THR 49 N 2.64 5.00 0.36 3.43 2.01 -1.24 -0.91 115.64 126.92 2wgo s THR 49 Ca -0.03 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 2wgo s THR 49 Cb -0.12 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.17 2wgo s THR 49 CO -0.14 0.46 0.70 -0.44 -0.69 0.00 0.00 174.62 174.51 2wgo s SER 50 N 0.33 0.14 0.24 3.53 0.01 -0.28 0.13 113.70 117.79 2wgo s SER 50 Ca 0.05 -1.12 -0.20 0.00 1.31 0.00 0.00 55.95 55.98 2wgo s SER 50 Cb -0.12 0.79 0.03 0.00 0.21 0.00 0.00 66.02 66.93 2wgo s SER 50 CO -0.01 -1.54 0.64 -1.83 0.41 0.00 0.00 173.24 170.92 2wgo s GLU 51 N -2.77 1.60 -0.38 12.44 -1.05 -1.26 0.47 118.70 127.75 2wgo s GLU 51 Ca 0.18 -0.88 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 2wgo s GLU 51 Cb -0.04 0.58 0.16 0.00 -0.44 0.00 0.00 34.13 34.39 2wgo s GLU 51 CO 0.12 -0.71 0.40 0.34 0.95 0.00 0.00 175.26 176.36 2wgo s ASP 52 N -2.89 0.92 0.55 0.83 3.68 0.89 -4.94 116.67 115.71 2wgo s ASP 52 Ca 0.10 -1.57 0.00 0.00 2.13 0.00 0.00 52.55 53.21 2wgo s ASP 52 Cb -0.04 0.67 0.00 0.00 -1.45 0.00 0.00 42.92 42.10 2wgo s ASP 52 CO 0.01 -0.24 0.00 1.17 0.13 0.00 0.00 175.17 176.24 2wgo n LYS 53 N 4.19 0.00 -0.68 4.34 3.00 -1.26 -3.10 118.16 124.65 2wgo n LYS 53 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.47 2wgo n LYS 53 Cb 0.46 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.79 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wgo n ARG 54 N 0.00 3.82 -3.67 1.64 1.74 -1.26 -4.80 116.66 114.13 2wgo n ARG 54 Ca 0.00 -2.33 -0.12 0.00 -0.77 0.00 0.00 57.85 54.63 2wgo n ARG 54 Cb 0.00 -2.06 -0.12 0.00 -1.02 0.00 0.00 32.46 29.26 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 -2.31 -0.54 0.34 -1.55 0.08 -1.18 -4.37 117.98 108.45 2wgo s PHE 55 Ca 0.41 1.14 -0.14 0.00 0.12 0.00 0.00 56.93 58.46 2wgo s PHE 55 Cb 0.31 0.08 -0.08 0.00 -0.57 0.00 0.00 43.02 42.76 2wgo s PHE 55 CO 0.12 -0.39 0.75 0.71 -0.10 0.00 0.00 175.22 176.31 2wgo s TYR 56 N 2.37 3.39 -0.34 0.36 2.02 0.17 -0.08 117.35 125.24 2wgo s TYR 56 Ca -0.01 1.19 -0.01 0.00 -0.37 0.00 0.00 57.07 57.87 2wgo s TYR 56 Cb -0.12 -2.52 0.12 0.00 -0.40 0.00 0.00 41.96 39.04 2wgo s TYR 56 CO -0.10 0.05 0.17 0.71 -1.57 0.00 0.00 175.55 174.81 2wgo s TYR 57 N -2.07 1.14 -0.64 2.71 2.02 0.18 -1.09 117.35 119.60 2wgo s TYR 57 Ca 0.54 -1.64 -0.09 0.00 -0.37 0.00 0.00 57.07 55.51 2wgo s TYR 57 Cb -0.10 -1.32 0.17 0.00 -0.40 0.00 0.00 41.96 40.30 2wgo s TYR 57 CO 0.20 -0.83 0.52 0.08 -1.57 0.00 0.00 175.55 173.95 2wgo s VAL 58 N 1.32 4.58 -0.23 0.71 1.01 -0.31 -1.13 120.40 126.35 2wgo s VAL 58 Ca 0.14 -2.34 -0.29 0.00 0.00 0.00 0.00 61.98 59.48 2wgo s VAL 58 Cb -0.20 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2wgo s VAL 58 CO -0.15 -0.90 1.04 -0.44 0.00 0.00 0.00 175.10 174.65 2wgo s SER 59 N 1.97 7.09 0.14 3.32 0.01 -0.08 0.49 113.70 126.65 2wgo s SER 59 Ca 0.13 1.37 0.05 0.00 1.31 0.00 0.00 55.95 58.81 2wgo s SER 59 Cb -0.19 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2wgo s SER 59 CO -0.04 -0.68 -0.12 0.68 0.41 0.00 0.00 173.24 173.50 2wgo s VAL 60 N 3.21 1.29 -0.17 3.43 -7.23 0.16 0.50 120.40 121.58 2wgo s VAL 60 Ca 0.44 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 2wgo s VAL 60 Cb -0.15 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2wgo s VAL 60 CO 0.06 -0.61 0.83 -0.62 -0.31 0.00 0.00 175.10 174.44 2wgo s ASP 61 N -2.93 6.94 0.00 4.85 -1.08 0.13 -0.51 116.67 124.07 2wgo s ASP 61 Ca 0.14 1.16 0.14 0.00 -0.52 0.00 0.00 52.55 53.47 2wgo s ASP 61 Cb -0.01 -2.45 0.83 0.00 -1.46 0.00 0.00 42.92 39.83 2wgo s ASP 61 CO 0.02 -0.40 1.37 0.00 0.52 0.00 0.00 175.17 176.68 2wgo n ALA 62 N 5.26 2.36 0.00 3.66 0.00 0.13 -2.13 120.51 129.79 2wgo n ALA 62 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wgo n ALA 62 Cb 0.49 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.43 3.03 0.11 0.00 0.00 -1.26 -4.72 105.19 102.77 2wgo n GLY 63 Ca 0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 0.10 0.00 0.00 1.61 3.58 -1.98 -3.47 116.42 116.26 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 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 2wgo n GLY 65 N 1.27 0.95 3.76 -0.78 0.00 -1.26 -5.13 105.19 104.00 2wgo n GLY 65 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 3.38 -0.34 1.61 2.02 -1.26 -4.79 118.70 119.33 2wgo s GLU 66 Ca 0.00 1.85 -0.06 0.00 0.02 0.00 0.00 54.97 56.77 2wgo s GLU 66 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.07 2wgo s GLU 66 CO 0.00 -0.88 0.10 0.15 0.02 0.00 0.00 175.26 174.65 2wgo s LYS 67 N -2.99 2.65 -0.15 1.61 1.02 -1.26 0.20 119.74 120.83 2wgo s LYS 67 Ca 0.70 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 2wgo s LYS 67 Cb -0.30 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 2wgo s LYS 67 CO 0.35 -0.65 -0.02 0.00 -0.92 0.00 0.00 175.35 174.11 2wgo s LYS 69 N 0.18 2.91 -1.13 0.00 2.20 -0.19 0.36 119.74 124.07 2wgo s LYS 69 Ca -0.01 -1.24 -0.21 0.00 -0.36 0.00 0.00 55.97 54.15 2wgo s LYS 69 Cb -0.13 -3.99 0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2wgo s LYS 69 CO 0.02 -0.90 1.72 -0.06 -0.36 0.00 0.00 175.35 175.78 2wgo s PHE 70 N 1.61 2.40 -0.99 4.03 0.40 0.18 -3.82 117.98 121.79 2wgo s PHE 70 Ca 0.04 -0.65 -0.23 0.00 -0.60 0.00 0.00 56.93 55.49 2wgo s PHE 70 Cb -0.22 -4.49 0.02 0.00 0.51 0.00 0.00 43.02 38.84 2wgo s PHE 70 CO 0.07 -1.72 1.62 0.21 0.70 0.00 0.00 175.22 176.10 2wgo s LYS 71 N 5.31 3.27 -0.54 0.44 2.20 0.20 -1.17 119.74 129.45 2wgo s LYS 71 Ca 0.57 -0.89 -0.24 0.00 -0.36 0.00 0.00 55.97 55.05 2wgo s LYS 71 Cb 0.00 -5.27 0.04 0.00 -1.51 0.00 0.00 37.83 31.09 2wgo s LYS 71 CO 0.02 -2.59 0.90 0.42 -0.36 0.00 0.00 175.35 173.74 2wgo s ILE 72 N 6.61 4.46 -1.19 5.43 1.01 -0.25 0.32 121.20 137.59 2wgo s ILE 72 Ca 0.54 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.42 2wgo s ILE 72 Cb -0.02 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2wgo s ILE 72 CO -0.06 -1.04 0.56 -1.14 0.00 0.00 0.00 174.94 173.25 2wgo n ARG 73 N 7.26 0.93 0.00 2.79 0.63 -1.24 0.42 116.66 127.46 2wgo n ARG 73 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2wgo n ARG 73 Cb 0.47 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 32.00 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 -0.07 0.00 -2.37 -0.14 5.02 -1.26 -2.95 118.16 116.39 2wgo n LYS 74 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2wgo n LYS 74 Cb 0.19 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.22 2wgo n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 75 N -3.23 7.32 0.09 4.39 2.03 -1.10 -3.69 116.55 122.36 2wgo n ASP 75 Ca 0.00 -3.75 0.12 0.00 0.52 0.00 0.00 54.79 51.68 2wgo n ASP 75 Cb 0.00 -1.10 0.46 0.00 -0.72 0.00 0.00 41.12 39.75 2wgo n ASP 75 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2wgo n VAL 76 N -0.26 0.63 0.00 5.18 0.31 -1.15 0.04 118.33 123.09 2wgo n VAL 76 Ca 0.49 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 2wgo n VAL 76 Cb 0.26 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wgo n ASP 77 N -2.06 0.00 -4.28 4.52 2.03 -1.26 -4.13 116.55 111.36 2wgo n ASP 77 Ca 0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.05 2wgo n ASP 77 Cb 0.32 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.56 2wgo n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wgo s VAL 78 N 0.00 1.97 -1.14 5.18 0.11 -1.26 -4.99 120.40 120.27 2wgo s VAL 78 Ca 0.00 -1.06 -0.15 0.00 -2.93 0.00 0.00 61.98 57.84 2wgo s VAL 78 Cb 0.00 -1.64 -0.06 0.00 -1.53 0.00 0.00 36.38 33.14 2wgo s VAL 78 CO 0.00 0.56 2.18 -0.81 -3.33 0.00 0.00 175.10 173.70 2wgo n PRO 79 N 2.57 2.33 -3.87 1.54 -0.04 -1.26 -4.35 135.00 131.93 2wgo n PRO 79 Ca -0.16 -2.10 -0.12 0.00 -0.04 0.00 0.00 63.50 61.08 2wgo n PRO 79 Cb 0.51 -2.97 -0.13 0.00 -0.04 0.00 0.00 33.50 30.88 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 3.79 0.15 -1.03 0.54 1.02 -1.24 0.07 119.74 123.04 2wgo s LYS 80 Ca 0.53 -0.04 -0.22 0.00 0.02 0.00 0.00 55.97 56.25 2wgo s LYS 80 Cb 0.14 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.57 2wgo s LYS 80 CO 0.00 -0.03 1.44 -1.64 -0.92 0.00 0.00 175.35 174.21 2wgo s MET 81 N -0.29 3.61 0.43 1.68 -1.94 -1.26 -3.64 119.30 117.89 2wgo s MET 81 Ca -0.03 -1.22 0.10 0.00 -1.71 0.00 0.00 55.69 52.83 2wgo s MET 81 Cb -0.02 -5.34 0.96 0.00 2.01 0.00 0.00 34.83 32.44 2wgo s MET 81 CO 0.00 -2.18 2.04 -0.39 -0.01 0.00 0.00 175.02 174.49 2wgo h VAL 82 N 6.66 1.03 -1.98 -6.03 -1.51 -1.86 -3.26 116.25 109.31 2wgo h VAL 82 Ca 0.21 -0.15 -0.77 0.00 -1.23 0.00 0.00 66.70 64.76 2wgo h VAL 82 Cb 1.00 0.54 -0.19 0.00 -2.13 0.00 0.00 31.29 30.51 2wgo h VAL 82 CO 1.41 0.08 1.55 0.61 -1.23 0.00 0.00 177.57 179.99 2wgo n GLY 83 N -1.50 4.52 2.68 5.19 0.00 0.15 -4.68 105.19 111.55 2wgo n GLY 83 Ca 0.05 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2wgo n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wgo n ARG 84 N 3.66 2.93 -4.84 1.61 1.85 -1.23 0.60 116.66 121.24 2wgo n ARG 84 Ca 0.35 -3.73 -0.32 0.00 -1.00 0.00 0.00 57.85 53.16 2wgo n ARG 84 Cb 0.37 -2.27 -0.13 0.00 -1.05 0.00 0.00 32.46 29.38 2wgo n ARG 84 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2wgo s LYS 85 N -3.90 2.29 -0.14 2.89 2.20 -1.25 -5.01 119.74 116.83 2wgo s LYS 85 Ca 0.53 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2wgo s LYS 85 Cb 0.44 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 2wgo s LYS 85 CO -0.28 0.58 -0.02 0.00 -0.36 0.00 0.00 175.35 175.27 2wgo n ARG 87 N 3.25 1.25 -0.08 0.00 1.74 0.17 -4.93 116.66 118.06 2wgo n ARG 87 Ca -0.17 -3.96 -0.15 0.00 -0.77 0.00 0.00 57.85 52.80 2wgo n ARG 87 Cb 0.53 -1.99 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 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 5.25 0.79 0.59 5.56 3.11 -1.94 -3.31 116.57 126.61 2wgo h LYS 88 Ca 0.19 -0.50 -0.03 0.00 -2.81 0.00 0.00 60.65 57.51 2wgo h LYS 88 Cb 0.81 0.06 0.01 0.00 -1.00 0.00 0.00 32.23 32.10 2wgo h LYS 88 CO 0.59 1.12 -0.28 -0.44 -2.81 0.00 0.00 179.45 177.63 2wgo h ASP 89 N 0.54 -0.67 -3.63 4.20 5.19 -1.92 -3.45 116.42 116.69 2wgo h ASP 89 Ca 0.02 0.02 0.12 0.00 -0.62 0.00 0.00 57.03 56.56 2wgo h ASP 89 Cb 1.08 0.17 -0.25 0.00 0.18 0.00 0.00 39.33 40.51 2wgo h ASP 89 CO 0.11 -0.26 0.63 -0.62 -3.12 0.00 0.00 179.24 175.98 2wgo s ASP 90 N -4.66 -0.30 -0.32 6.45 3.68 -1.24 -5.14 116.67 115.14 2wgo s ASP 90 Ca -0.12 0.39 -0.07 0.00 2.13 0.00 0.00 52.55 54.89 2wgo s ASP 90 Cb 0.01 0.34 0.03 0.00 -1.45 0.00 0.00 42.92 41.84 2wgo s ASP 90 CO 0.35 -0.23 0.10 -0.62 0.13 0.00 0.00 175.17 174.90 2wgo s ASP 91 N -0.78 5.23 0.00 -0.34 -1.08 -1.26 -4.88 116.67 113.56 2wgo s ASP 91 Ca 0.02 -0.95 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 2wgo s ASP 91 Cb -0.02 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 2wgo s ASP 91 CO -0.03 -0.27 0.00 0.47 0.52 0.00 0.00 175.17 175.86 2wgo n ASP 92 N 4.84 0.00 -4.44 -0.34 8.00 -1.26 -4.93 116.55 118.42 2wgo n ASP 92 Ca -0.13 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.05 2wgo n ASP 92 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.43 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wgo s ASP 93 N -1.40 3.76 -0.38 -2.24 -1.08 -1.26 -5.09 116.67 108.98 2wgo s ASP 93 Ca 0.00 -0.35 -0.27 0.00 -0.52 0.00 0.00 52.55 51.41 2wgo s ASP 93 Cb 0.00 -0.65 0.02 0.00 -1.46 0.00 0.00 42.92 40.83 2wgo s ASP 93 CO 0.00 0.30 0.99 -0.62 0.52 0.00 0.00 175.17 176.36 2wgo s ASP 94 N -1.03 6.73 -0.50 -0.34 2.15 -1.26 -4.90 116.67 117.52 2wgo s ASP 94 Ca 0.13 0.66 0.07 0.00 0.43 0.00 0.00 52.55 53.83 2wgo s ASP 94 Cb -0.10 -2.49 0.20 0.00 -0.30 0.00 0.00 42.92 40.22 2wgo s ASP 94 CO 0.02 -0.93 0.71 0.61 -0.17 0.00 0.00 175.17 175.42 2wgo n GLY 95 N 4.35 -0.09 0.75 2.66 0.00 -1.26 -5.23 105.19 106.36 2wgo n GLY 95 Ca 0.09 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.41 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60