#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 7.30 -0.41 1.61 0.01 0.11 -3.29 113.70 119.02 2wgo s SER 0 Ca 0.00 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.18 2wgo s SER 0 Cb 0.00 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.81 2wgo s SER 0 CO 0.00 -0.26 0.38 -0.76 0.41 0.00 0.00 173.24 173.00 2wgo s LEU 1 N 0.47 0.80 0.00 2.44 1.43 -1.26 -4.60 118.68 117.96 2wgo s LEU 1 Ca 0.52 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 2wgo s LEU 1 Cb -0.26 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 45.95 2wgo s LEU 1 CO 0.30 -0.18 0.00 -0.38 0.23 0.00 0.00 176.35 176.32 2wgo n ILE 2 N 3.18 0.00 -2.34 -0.59 -0.00 -1.26 -4.98 119.36 113.36 2wgo n ILE 2 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.96 2wgo n ILE 2 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.12 2wgo n ILE 2 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2wgo n LEU 3 N -0.65 -0.55 -0.24 1.39 0.00 -1.26 -4.89 117.00 110.80 2wgo n LEU 3 Ca 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 56.01 53.63 2wgo n LEU 3 Cb 0.00 0.07 0.16 0.00 0.00 0.00 0.00 43.42 43.65 2wgo n LEU 3 CO 0.00 1.35 0.88 -2.24 0.00 0.00 0.00 177.39 177.38 2wgo h ASP 4 N 0.68 -0.15 -0.54 1.96 2.03 -1.90 -2.90 116.42 115.61 2wgo h ASP 4 Ca -0.44 0.16 -0.27 0.00 -0.73 0.00 0.00 57.03 55.76 2wgo h ASP 4 Cb 1.45 0.25 -0.40 0.00 -0.83 0.00 0.00 39.33 39.80 2wgo h ASP 4 CO -0.15 -0.10 -1.13 0.61 -1.03 0.00 0.00 179.24 177.44 2wgo n GLY 5 N -1.37 1.79 0.00 7.15 0.00 -1.26 -3.13 105.19 108.36 2wgo n GLY 5 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wgo n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 6 N -0.50 0.00 0.00 1.61 8.00 -1.10 -5.09 116.55 119.47 2wgo n ASP 6 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2wgo n ASP 6 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wgo n LEU 7 N 0.00 0.00 -0.89 0.64 4.77 -1.26 -4.97 117.00 115.29 2wgo n LEU 7 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2wgo n LEU 7 Cb 0.00 0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2wgo n LEU 7 CO 0.00 -0.48 -0.35 0.18 -1.33 0.00 0.00 177.39 175.41 2wgo n LEU 8 N -2.46 -0.77 0.00 2.23 4.77 -1.26 -4.82 117.00 114.69 2wgo n LEU 8 Ca 0.00 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 2wgo n LEU 8 Cb 0.00 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.42 2wgo n LEU 8 CO 0.00 -0.97 0.36 0.29 -1.33 0.00 0.00 177.39 175.74 2wgo n LYS 9 N -2.92 1.34 -2.28 3.23 4.76 -1.26 -4.95 118.16 116.09 2wgo n LYS 9 Ca -0.04 -0.94 -0.41 0.00 -2.87 0.00 0.00 58.31 54.06 2wgo n LYS 9 Cb 0.36 -0.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.78 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wgo s ASP 10 N -0.46 7.00 -0.43 4.39 1.11 -1.26 -4.98 116.67 122.04 2wgo s ASP 10 Ca 0.00 2.48 0.05 0.00 0.18 0.00 0.00 52.55 55.26 2wgo s ASP 10 Cb 0.00 -2.63 0.17 0.00 1.07 0.00 0.00 42.92 41.53 2wgo s ASP 10 CO 0.00 -0.37 0.50 -0.75 1.18 0.00 0.00 175.17 175.73 2wgo s LYS 11 N -1.43 0.84 -0.21 8.23 2.47 -1.26 -3.34 119.74 125.04 2wgo s LYS 11 Ca 0.48 -1.11 -0.09 0.00 -1.56 0.00 0.00 55.97 53.68 2wgo s LYS 11 Cb -0.36 -0.57 0.04 0.00 -1.46 0.00 0.00 37.83 35.47 2wgo s LYS 11 CO 0.46 -1.27 0.19 -0.11 0.16 0.00 0.00 175.35 174.78 2wgo n LEU 12 N 3.60 -6.55 -4.57 5.43 7.94 -1.26 -4.80 117.00 116.78 2wgo n LEU 12 Ca 0.17 2.09 -0.40 0.00 -1.11 0.00 0.00 56.01 56.76 2wgo n LEU 12 Cb 0.50 -3.26 -0.02 0.00 0.53 0.00 0.00 43.42 41.17 2wgo n LEU 12 CO 0.05 -3.85 1.79 -0.75 -1.11 0.00 0.00 177.39 173.51 2wgo s LYS 13 N -0.88 3.70 0.17 1.96 2.20 -1.26 -4.83 119.74 120.79 2wgo s LYS 13 Ca -0.22 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 53.75 2wgo s LYS 13 Cb 0.01 -5.45 0.00 0.00 -1.51 0.00 0.00 37.83 30.88 2wgo s LYS 13 CO 0.77 -2.45 0.00 1.28 -0.36 0.00 0.00 175.35 174.59 2wgo n LEU 14 N 9.30 -0.28 -4.69 5.43 4.77 -1.26 -4.70 117.00 125.56 2wgo n LEU 14 Ca 0.44 0.66 -0.44 0.00 -0.03 0.00 0.00 56.01 56.64 2wgo n LEU 14 Cb 0.47 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 2wgo n LEU 14 CO 0.73 -0.66 1.11 -0.81 -1.33 0.00 0.00 177.39 176.43 2wgo n PRO 15 N -2.74 2.26 -2.82 3.23 -0.04 -1.26 -4.31 135.00 129.31 2wgo n PRO 15 Ca -0.02 0.81 -0.01 0.00 -0.04 0.00 0.00 63.50 64.23 2wgo n PRO 15 Cb 0.19 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 2wgo n PRO 15 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2wgo n VAL 16 N 2.21 -3.39 -2.05 0.52 3.14 -1.26 -4.97 118.33 112.53 2wgo n VAL 16 Ca 0.11 0.61 -0.33 0.00 -2.96 0.00 0.00 64.34 61.77 2wgo n VAL 16 Cb 0.33 -3.19 0.01 0.00 -1.06 0.00 0.00 33.84 29.93 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 -0.14 3.66 0.77 1.55 1.01 0.22 -4.85 121.20 123.44 2wgo s ILE 17 Ca -0.05 0.82 -0.14 0.00 0.00 0.00 0.00 60.65 61.28 2wgo s ILE 17 Cb 0.00 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.21 2wgo s ILE 17 CO 0.14 -0.43 1.18 -0.62 0.00 0.00 0.00 174.94 175.20 2wgo s ASP 18 N -2.62 3.97 0.40 3.58 3.68 -1.26 -2.48 116.67 121.95 2wgo s ASP 18 Ca 0.65 2.26 0.07 0.00 2.13 0.00 0.00 52.55 57.66 2wgo s ASP 18 Cb -0.17 -2.58 0.84 0.00 -1.45 0.00 0.00 42.92 39.56 2wgo s ASP 18 CO 0.36 -2.41 2.05 -0.55 0.13 0.00 0.00 175.17 174.75 2wgo h ASN 19 N -0.70 0.47 -0.48 -0.34 7.08 -1.89 -2.43 115.58 117.28 2wgo h ASN 19 Ca -0.46 -0.02 0.05 0.00 -3.08 0.00 0.00 56.30 52.78 2wgo h ASN 19 Cb 1.28 -0.12 -0.04 0.00 -2.08 0.00 0.00 38.32 37.36 2wgo h ASN 19 CO 0.48 0.36 0.23 -0.07 -2.08 0.00 0.00 177.43 176.35 2wgo h LEU 20 N 0.55 0.32 -0.82 6.14 3.38 -1.95 0.12 115.31 123.04 2wgo h LEU 20 Ca 0.15 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wgo h LEU 20 Cb -0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2wgo h LEU 20 CO -0.03 0.22 0.54 0.15 0.09 0.00 0.00 178.44 179.41 2wgo h PHE 21 N 0.45 1.04 0.00 1.13 3.57 -1.79 0.92 116.94 122.26 2wgo h PHE 21 Ca 0.21 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2wgo h PHE 21 Cb 0.14 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2wgo h PHE 21 CO -0.11 0.66 -0.48 0.78 -2.23 0.00 0.00 178.31 176.92 2wgo h GLY 22 N 1.11 0.00 1.91 2.40 0.00 -1.48 -2.48 103.07 104.53 2wgo h GLY 22 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.43 2wgo h GLY 22 CO -0.06 0.00 -0.97 1.70 0.00 0.00 0.00 176.54 177.20 2wgo h LYS 23 N 0.00 0.00 0.00 4.80 3.64 0.65 0.13 116.57 125.79 2wgo h LYS 23 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2wgo h LYS 23 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2wgo h LYS 23 CO 0.06 0.87 -0.43 0.93 -2.27 0.00 0.00 179.45 178.62 2wgo h GLU 24 N 0.00 0.00 0.00 1.90 5.08 0.91 0.54 114.58 123.01 2wgo h GLU 24 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2wgo h GLU 24 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2wgo h GLU 24 CO 0.11 0.43 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 2wgo n LEU 25 N -4.02 0.00 -0.26 1.33 4.77 -0.94 -3.65 117.00 114.23 2wgo n LEU 25 Ca -0.02 0.87 0.33 0.00 -0.03 0.00 0.00 56.01 57.16 2wgo n LEU 25 Cb 0.45 -0.50 0.72 0.00 -2.33 0.00 0.00 43.42 41.77 2wgo n LEU 25 CO 0.39 -0.50 1.30 -0.07 -1.33 0.00 0.00 177.39 177.19 2wgo h LEU 26 N 0.00 0.00 -0.38 2.23 3.38 -0.87 0.26 115.31 119.93 2wgo h LEU 26 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wgo h LEU 26 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wgo h LEU 26 CO 0.00 0.00 0.21 -0.78 0.09 0.00 0.00 178.44 177.96 2wgo h ASP 27 N 0.00 0.47 -0.21 -0.43 1.82 0.00 0.36 116.42 118.44 2wgo h ASP 27 Ca 0.51 -0.09 -0.08 0.00 -0.39 0.00 0.00 57.03 56.98 2wgo h ASP 27 Cb 2.21 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 42.08 2wgo h ASP 27 CO -0.01 0.43 -0.12 0.11 -1.61 0.00 0.00 179.24 178.04 2wgo h LYS 28 N 0.48 0.60 0.00 0.28 1.57 -0.59 -2.74 116.57 116.17 2wgo h LYS 28 Ca 0.13 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wgo h LYS 28 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wgo h LYS 28 CO -0.02 0.71 0.00 1.19 -0.57 0.00 0.00 179.45 180.76 2wgo n PHE 29 N -4.18 0.00 1.26 -1.35 3.01 -0.72 -3.28 117.46 112.19 2wgo n PHE 29 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2wgo n PHE 29 Cb 0.34 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2wgo n PHE 29 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2wgo n GLN 30 N -1.40 0.72 -0.07 -1.08 7.27 0.12 -0.12 117.38 122.83 2wgo n GLN 30 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.10 2wgo n GLN 30 Cb 0.28 -1.09 -0.11 0.00 2.41 0.00 0.00 30.24 31.73 2wgo n GLN 30 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2wgo n ASP 31 N -0.33 1.68 -0.08 1.69 -0.08 -1.21 -4.22 116.55 114.01 2wgo n ASP 31 Ca 0.00 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2wgo n ASP 31 Cb 0.05 0.77 -0.04 0.00 2.34 0.00 0.00 41.12 44.24 2wgo n ASP 31 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2wgo h ASP 32 N 0.00 0.00 0.08 1.67 1.82 -1.26 -2.98 116.42 115.75 2wgo h ASP 32 Ca -0.37 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.10 2wgo h ASP 32 Cb 1.83 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.84 2wgo h ASP 32 CO 0.02 0.92 -0.05 0.40 -1.61 0.00 0.00 179.24 178.92 2wgo h ILE 33 N -1.00 0.80 0.09 2.25 2.04 -0.82 0.40 117.51 121.26 2wgo h ILE 33 Ca -0.09 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.34 2wgo h ILE 33 Cb 0.67 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2wgo h ILE 33 CO -0.05 0.05 -1.21 0.50 0.00 0.00 0.00 178.15 177.44 2wgo h LYS 34 N 0.00 0.18 -0.01 2.37 3.64 -1.70 -0.82 116.57 120.23 2wgo h LYS 34 Ca -0.00 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 2wgo h LYS 34 Cb 0.10 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wgo h LYS 34 CO 0.01 1.13 -0.21 0.22 -2.27 0.00 0.00 179.45 178.32 2wgo h ASP 35 N 0.05 0.20 -0.26 4.20 3.58 -1.12 -0.37 116.42 122.70 2wgo h ASP 35 Ca -0.11 -0.75 -0.14 0.00 0.42 0.00 0.00 57.03 56.45 2wgo h ASP 35 Cb 1.92 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 2wgo h ASP 35 CO 0.17 0.92 -0.36 0.11 -2.88 0.00 0.00 179.24 177.21 2wgo h LYS 36 N -0.50 0.80 0.00 0.28 1.57 -0.32 -3.38 116.57 115.01 2wgo h LYS 36 Ca -0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2wgo h LYS 36 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2wgo h LYS 36 CO 0.04 1.02 -0.66 0.66 -0.57 0.00 0.00 179.45 179.95 2wgo n TYR 37 N -4.06 0.00 -1.58 -1.35 4.01 -0.37 -5.04 117.16 108.77 2wgo n TYR 37 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2wgo n TYR 37 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.80 0.97 3.92 2.72 0.00 -0.15 -4.99 105.19 109.46 2wgo n GLY 38 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.60 5.27 -0.18 1.61 1.01 -1.16 -4.93 120.40 119.41 2wgo s VAL 39 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2wgo s VAL 39 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2wgo s VAL 39 CO 0.00 0.01 -0.12 -0.62 0.00 0.00 0.00 175.10 174.37 2wgo s ASP 40 N -2.90 3.80 0.19 3.32 -1.08 -1.26 -4.01 116.67 114.72 2wgo s ASP 40 Ca 0.34 -0.47 0.23 0.00 -0.52 0.00 0.00 52.55 52.14 2wgo s ASP 40 Cb -0.12 -1.61 0.20 0.00 -1.46 0.00 0.00 42.92 39.93 2wgo s ASP 40 CO 0.28 0.04 1.23 0.71 0.52 0.00 0.00 175.17 177.95 2wgo h THR 41 N 5.72 0.00 -0.11 1.71 1.35 -1.94 -2.89 112.91 116.75 2wgo h THR 41 Ca -0.38 -0.76 -0.13 0.00 -0.55 0.00 0.00 66.41 64.59 2wgo h THR 41 Cb 1.17 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2wgo h THR 41 CO 0.60 0.00 -0.50 0.50 -0.25 0.00 0.00 175.52 175.86 2wgo h LYS 42 N 0.00 0.29 0.00 4.72 3.64 -1.94 -2.67 116.57 120.61 2wgo h LYS 42 Ca 0.00 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 2wgo h LYS 42 Cb 0.88 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2wgo h LYS 42 CO 0.00 0.73 -0.31 0.22 -2.27 0.00 0.00 179.45 177.82 2wgo h ASP 43 N 0.23 0.00 -3.93 4.20 3.58 -1.98 -3.46 116.42 115.05 2wgo h ASP 43 Ca 0.01 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.92 2wgo h ASP 43 Cb 0.97 0.00 0.10 0.00 1.72 0.00 0.00 39.33 42.12 2wgo h ASP 43 CO 0.08 0.31 0.76 -0.76 -2.88 0.00 0.00 179.24 176.75 2wgo s LEU 44 N -6.44 4.33 -0.63 2.28 1.43 -1.01 -4.92 118.68 113.73 2wgo s LEU 44 Ca 0.04 3.01 -0.14 0.00 -1.03 0.00 0.00 54.13 56.01 2wgo s LEU 44 Cb 0.07 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.79 2wgo s LEU 44 CO 0.70 -0.83 0.56 -0.75 0.23 0.00 0.00 176.35 176.26 2wgo s LYS 45 N -2.05 3.10 -0.04 1.70 2.20 -1.00 -4.99 119.74 118.67 2wgo s LYS 45 Ca 0.52 -1.99 -0.30 0.00 -0.36 0.00 0.00 55.97 53.85 2wgo s LYS 45 Cb -0.46 -4.27 -0.03 0.00 -1.51 0.00 0.00 37.83 31.56 2wgo s LYS 45 CO 0.62 -1.30 1.06 0.42 -0.36 0.00 0.00 175.35 175.80 2wgo s ILE 46 N 1.05 4.60 -0.25 5.43 1.01 -1.26 0.53 121.20 132.31 2wgo s ILE 46 Ca 0.09 1.87 -0.16 0.00 0.00 0.00 0.00 60.65 62.45 2wgo s ILE 46 Cb -0.23 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 2wgo s ILE 46 CO -0.01 0.07 -0.27 0.18 0.00 0.00 0.00 174.94 174.91 2wgo n LEU 47 N 4.54 1.94 -3.66 2.97 4.77 0.12 -4.76 117.00 122.91 2wgo n LEU 47 Ca 0.08 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 56.21 2wgo n LEU 47 Cb 0.49 -0.83 -0.18 0.00 -2.33 0.00 0.00 43.42 40.56 2wgo n LEU 47 CO 0.53 0.41 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.91 2wgo s LYS 48 N -2.53 -0.03 -0.14 3.23 2.20 -0.86 -4.86 119.74 116.75 2wgo s LYS 48 Ca -0.36 0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.43 2wgo s LYS 48 Cb 0.12 -0.82 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 2wgo s LYS 48 CO 0.49 -0.41 0.16 0.99 -0.36 0.00 0.00 175.35 176.23 2wgo s THR 49 N 2.16 5.43 0.37 3.43 2.01 -1.04 -0.29 115.64 127.71 2wgo s THR 49 Ca 0.04 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 2wgo s THR 49 Cb -0.13 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.95 2wgo s THR 49 CO -0.04 0.54 0.62 -0.44 -0.69 0.00 0.00 174.62 174.61 2wgo s SER 50 N -0.47 0.56 0.22 3.53 0.01 0.49 0.73 113.70 118.76 2wgo s SER 50 Ca 0.13 -1.36 -0.16 0.00 1.31 0.00 0.00 55.95 55.87 2wgo s SER 50 Cb -0.12 0.75 0.02 0.00 0.21 0.00 0.00 66.02 66.88 2wgo s SER 50 CO 0.03 -1.49 0.52 -1.83 0.41 0.00 0.00 173.24 170.88 2wgo s GLU 51 N -2.67 1.46 -0.47 12.44 -1.05 -1.26 0.00 118.70 127.15 2wgo s GLU 51 Ca 0.24 -1.00 0.06 0.00 -0.15 0.00 0.00 54.97 54.12 2wgo s GLU 51 Cb -0.03 0.51 0.19 0.00 -0.44 0.00 0.00 34.13 34.36 2wgo s GLU 51 CO 0.17 -0.62 0.59 -3.47 0.95 0.00 0.00 175.26 172.88 2wgo n ASP 52 N -0.36 -2.12 0.00 0.83 2.03 0.19 -4.41 116.55 112.71 2wgo n ASP 52 Ca -0.07 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.50 2wgo n ASP 52 Cb 0.62 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wgo n LYS 53 N 2.70 0.00 -0.14 -0.67 4.01 -1.21 -2.02 118.16 120.83 2wgo n LYS 53 Ca 0.22 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 58.05 2wgo n LYS 53 Cb 0.54 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.15 2wgo n LYS 53 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2wgo n ARG 54 N 0.00 1.60 -4.14 1.97 0.63 -1.26 -4.74 116.66 110.73 2wgo n ARG 54 Ca 0.00 -0.75 -0.11 0.00 -0.92 0.00 0.00 57.85 56.07 2wgo n ARG 54 Cb 0.00 -1.29 -0.10 0.00 0.45 0.00 0.00 32.46 31.52 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 -1.67 0.81 0.05 -0.14 0.08 -0.86 -3.60 117.98 112.64 2wgo s PHE 55 Ca 0.14 -0.83 0.05 0.00 0.12 0.00 0.00 56.93 56.41 2wgo s PHE 55 Cb 0.08 -0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2wgo s PHE 55 CO 0.08 -0.15 -0.15 0.71 -0.10 0.00 0.00 175.22 175.61 2wgo s TYR 56 N -3.14 1.29 -0.27 0.36 1.51 0.25 -0.64 117.35 116.72 2wgo s TYR 56 Ca 0.06 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 2wgo s TYR 56 Cb 0.02 -0.76 0.09 0.00 -0.11 0.00 0.00 41.96 41.20 2wgo s TYR 56 CO -0.04 0.05 0.09 0.71 -1.11 0.00 0.00 175.55 175.25 2wgo s TYR 57 N -0.93 1.00 -0.56 2.71 2.02 0.10 -0.75 117.35 120.94 2wgo s TYR 57 Ca 0.02 -1.16 -0.06 0.00 -0.37 0.00 0.00 57.07 55.49 2wgo s TYR 57 Cb -0.08 -1.22 0.15 0.00 -0.40 0.00 0.00 41.96 40.40 2wgo s TYR 57 CO 0.02 -0.77 0.41 0.08 -1.57 0.00 0.00 175.55 173.71 2wgo s VAL 58 N 1.86 4.04 -0.01 0.71 1.01 -0.47 -0.38 120.40 127.16 2wgo s VAL 58 Ca 0.06 -2.36 -0.30 0.00 0.00 0.00 0.00 61.98 59.38 2wgo s VAL 58 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2wgo s VAL 58 CO -0.24 -0.83 0.97 -0.55 0.00 0.00 0.00 175.10 174.45 2wgo s SER 59 N 1.71 7.34 0.05 3.32 0.15 0.60 0.30 113.70 127.18 2wgo s SER 59 Ca 0.12 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.40 2wgo s SER 59 Cb -0.21 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 2wgo s SER 59 CO -0.03 -0.27 -0.05 0.68 1.20 0.00 0.00 173.24 174.77 2wgo s VAL 60 N 1.07 0.39 -0.15 4.45 -7.23 0.90 0.12 120.40 119.94 2wgo s VAL 60 Ca 0.51 -1.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2wgo s VAL 60 Cb -0.21 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 2wgo s VAL 60 CO 0.27 -0.71 0.57 -0.62 -0.31 0.00 0.00 175.10 174.29 2wgo s ASP 61 N -2.31 6.70 -0.03 4.85 2.15 0.19 0.13 116.67 128.35 2wgo s ASP 61 Ca -0.01 0.84 0.08 0.00 0.43 0.00 0.00 52.55 53.89 2wgo s ASP 61 Cb -0.01 -2.32 0.28 0.00 -0.30 0.00 0.00 42.92 40.57 2wgo s ASP 61 CO -0.04 -0.14 1.15 0.00 -0.17 0.00 0.00 175.17 175.96 2wgo n ALA 62 N 4.36 2.65 0.00 3.66 0.00 -0.93 -2.37 120.51 127.87 2wgo n ALA 62 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2wgo n ALA 62 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.74 2.60 0.27 0.00 0.00 -1.26 -4.76 105.19 102.78 2wgo n GLY 63 Ca 0.10 -0.66 0.18 0.00 0.00 0.00 0.00 46.02 45.64 2wgo n GLY 63 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wgo h ASP 64 N 0.00 0.00 0.00 1.61 5.19 -2.02 -3.45 116.42 117.75 2wgo h ASP 64 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wgo h ASP 64 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wgo h ASP 64 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2wgo n GLY 65 N -0.32 0.53 3.83 2.75 0.00 -1.26 -5.09 105.19 105.63 2wgo n GLY 65 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 2.25 -0.23 1.61 2.02 -1.26 -4.91 118.70 117.53 2wgo s GLU 66 Ca 0.00 0.53 -0.00 0.00 0.02 0.00 0.00 54.97 55.52 2wgo s GLU 66 Cb 0.00 -1.95 0.06 0.00 0.10 0.00 0.00 34.13 32.34 2wgo s GLU 66 CO 0.00 -1.48 -0.03 0.21 0.02 0.00 0.00 175.26 173.98 2wgo s LYS 67 N -5.25 1.38 0.49 1.61 2.20 -1.26 -2.19 119.74 116.72 2wgo s LYS 67 Ca 0.60 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 55.43 2wgo s LYS 67 Cb -0.13 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2wgo s LYS 67 CO 0.53 -0.61 0.53 0.00 -0.36 0.00 0.00 175.35 175.43 2wgo s LYS 69 N -4.35 0.33 -0.71 0.00 2.20 -0.90 -0.07 119.74 116.24 2wgo s LYS 69 Ca 0.50 0.17 -0.26 0.00 -0.36 0.00 0.00 55.97 56.02 2wgo s LYS 69 Cb -0.05 -0.63 -0.02 0.00 -1.51 0.00 0.00 37.83 35.63 2wgo s LYS 69 CO 0.30 -0.85 1.81 -0.06 -0.36 0.00 0.00 175.35 176.18 2wgo s PHE 70 N 2.45 1.79 -1.11 4.03 0.08 0.15 -3.57 117.98 121.80 2wgo s PHE 70 Ca 0.10 0.60 -0.20 0.00 0.12 0.00 0.00 56.93 57.55 2wgo s PHE 70 Cb -0.14 -4.16 0.08 0.00 -0.57 0.00 0.00 43.02 38.23 2wgo s PHE 70 CO -0.24 -2.14 1.47 0.21 -0.10 0.00 0.00 175.22 174.43 2wgo s LYS 71 N 6.82 3.77 0.14 0.44 2.20 -0.11 -1.37 119.74 131.63 2wgo s LYS 71 Ca 0.64 -1.67 -0.27 0.00 -0.36 0.00 0.00 55.97 54.31 2wgo s LYS 71 Cb -0.10 -5.30 -0.07 0.00 -1.51 0.00 0.00 37.83 30.85 2wgo s LYS 71 CO 0.14 -2.09 0.85 0.42 -0.36 0.00 0.00 175.35 174.31 2wgo s ILE 72 N 3.94 4.43 -0.43 5.43 1.01 0.08 0.73 121.20 136.38 2wgo s ILE 72 Ca 0.46 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.95 2wgo s ILE 72 Cb -0.00 -4.22 0.31 0.00 0.01 0.00 0.00 42.46 38.56 2wgo s ILE 72 CO -0.03 0.43 1.98 -1.14 0.00 0.00 0.00 174.94 176.18 2wgo n ARG 73 N 2.16 2.08 0.00 2.79 0.63 -1.26 0.87 116.66 123.93 2wgo n ARG 73 Ca -0.02 -2.15 0.00 0.00 -0.92 0.00 0.00 57.85 54.76 2wgo n ARG 73 Cb 0.49 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.56 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 -0.14 0.00 0.00 -0.14 5.02 -1.24 -2.30 118.16 119.36 2wgo n LYS 74 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2wgo n LYS 74 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 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 0.88 0.00 -4.55 4.39 2.03 -1.26 -4.46 116.55 113.58 2wgo n ASP 75 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2wgo n ASP 75 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wgo s VAL 76 N 0.00 3.07 0.00 5.18 -7.23 -0.97 -2.90 120.40 117.55 2wgo s VAL 76 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2wgo s VAL 76 Cb 0.00 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2wgo s VAL 76 CO 0.00 -0.17 0.00 -0.67 -0.31 0.00 0.00 175.10 173.95 2wgo n ASP 77 N 16.45 0.00 -4.51 4.85 2.03 -1.19 -4.86 116.55 129.32 2wgo n ASP 77 Ca 0.39 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.36 2wgo n ASP 77 Cb 0.50 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.78 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 3.63 0.00 5.18 0.11 -1.24 -4.96 120.40 123.13 2wgo s VAL 78 Ca 0.00 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2wgo s VAL 78 Cb 0.00 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 2wgo s VAL 78 CO 0.00 0.54 1.07 -0.81 -3.33 0.00 0.00 175.10 172.58 2wgo n PRO 79 N 2.97 0.99 -3.86 1.54 -0.04 -1.26 -4.55 135.00 130.78 2wgo n PRO 79 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 2wgo n PRO 79 Cb 0.53 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.89 2wgo n PRO 79 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2wgo s LYS 80 N 0.01 0.63 0.51 0.54 -2.85 -1.26 0.18 119.74 117.50 2wgo s LYS 80 Ca 0.00 -0.59 -0.21 0.00 -1.00 0.00 0.00 55.97 54.17 2wgo s LYS 80 Cb 0.00 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.96 2wgo s LYS 80 CO 0.00 -0.17 1.13 0.00 0.10 0.00 0.00 175.35 176.41 2wgo s MET 81 N -2.28 3.55 0.05 1.78 0.23 -1.26 -4.74 119.30 116.64 2wgo s MET 81 Ca -0.07 1.64 -0.17 0.00 -1.03 0.00 0.00 55.69 56.06 2wgo s MET 81 Cb -0.03 -2.16 -0.17 0.00 -1.53 0.00 0.00 34.83 30.94 2wgo s MET 81 CO -0.03 -0.69 1.25 -0.24 -2.03 0.00 0.00 175.02 173.28 2wgo h VAL 82 N 1.49 1.36 -3.82 5.16 3.04 -1.83 -3.46 116.25 118.18 2wgo h VAL 82 Ca -0.50 -1.80 -0.41 0.00 -1.01 0.00 0.00 66.70 62.99 2wgo h VAL 82 Cb 1.25 2.13 -0.20 0.00 -2.01 0.00 0.00 31.29 32.46 2wgo h VAL 82 CO 0.58 0.54 -0.77 -0.83 -1.01 0.00 0.00 177.57 176.09 2wgo s GLY 83 N -3.90 0.93 -0.33 3.17 0.00 0.22 -4.84 107.32 102.58 2wgo s GLY 83 Ca -0.13 -1.11 0.16 0.00 0.00 0.00 0.00 44.72 43.64 2wgo s GLY 83 CO 0.83 -1.15 1.31 -0.96 0.00 0.00 0.00 173.10 173.14 2wgo n ARG 84 N 0.99 1.41 -3.60 2.90 0.00 -1.26 -0.94 116.66 116.16 2wgo n ARG 84 Ca -0.19 -2.23 -0.37 0.00 -0.00 0.00 0.00 57.85 55.06 2wgo n ARG 84 Cb 0.55 -0.45 -0.07 0.00 -0.00 0.00 0.00 32.46 32.50 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 -1.39 4.00 -0.23 2.89 1.02 -1.23 -4.88 119.74 119.92 2wgo s LYS 85 Ca 0.19 0.13 -0.10 0.00 0.02 0.00 0.00 55.97 56.22 2wgo s LYS 85 Cb 0.41 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 2wgo s LYS 85 CO -0.08 0.47 0.13 0.00 -0.92 0.00 0.00 175.35 174.96 2wgo n ARG 87 N 4.21 1.42 -0.07 0.00 0.63 -0.87 -4.68 116.66 117.30 2wgo n ARG 87 Ca -0.15 -3.09 -0.11 0.00 -0.92 0.00 0.00 57.85 53.58 2wgo n ARG 87 Cb 0.52 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.91 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wgo h LYS 88 N 0.86 0.34 0.00 -0.14 3.11 -1.84 -3.39 116.57 115.51 2wgo h LYS 88 Ca -0.02 -0.07 -0.29 0.00 -2.81 0.00 0.00 60.65 57.46 2wgo h LYS 88 Cb 1.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 2wgo h LYS 88 CO 0.01 0.40 -1.99 -3.47 -2.81 0.00 0.00 179.45 171.59 2wgo n ASP 89 N -4.79 1.46 -2.97 4.20 -0.08 -1.26 -4.96 116.55 108.15 2wgo n ASP 89 Ca -0.03 0.17 -0.15 0.00 -1.51 0.00 0.00 54.79 53.27 2wgo n ASP 89 Cb 0.13 -0.49 0.10 0.00 2.34 0.00 0.00 41.12 43.21 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2wgo n ASP 90 N -3.68 0.07 -3.90 1.67 -0.08 -1.26 -5.07 116.55 104.29 2wgo n ASP 90 Ca -0.34 -1.25 -0.29 0.00 -1.51 0.00 0.00 54.79 51.39 2wgo n ASP 90 Cb 0.76 -0.51 -0.16 0.00 2.34 0.00 0.00 41.12 43.55 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2wgo s ASP 91 N -3.44 3.26 0.53 1.67 2.15 -1.26 -4.82 116.67 114.75 2wgo s ASP 91 Ca 0.38 -0.88 0.06 0.00 0.43 0.00 0.00 52.55 52.53 2wgo s ASP 91 Cb -0.01 -1.01 0.03 0.00 -0.30 0.00 0.00 42.92 41.63 2wgo s ASP 91 CO 0.27 -0.21 0.37 -1.81 -0.17 0.00 0.00 175.17 173.62 2wgo s ASP 92 N 1.55 4.62 0.79 -0.34 1.11 -1.26 -5.14 116.67 118.00 2wgo s ASP 92 Ca -0.02 -1.22 -0.08 0.00 0.18 0.00 0.00 52.55 51.41 2wgo s ASP 92 Cb -0.17 0.30 0.13 0.00 1.07 0.00 0.00 42.92 44.25 2wgo s ASP 92 CO -0.07 -1.03 1.11 -0.62 1.18 0.00 0.00 175.17 175.73 2wgo s ASP 93 N -4.23 4.11 0.29 0.27 2.15 -1.26 -4.98 116.67 113.02 2wgo s ASP 93 Ca 0.34 0.13 0.04 0.00 0.43 0.00 0.00 52.55 53.49 2wgo s ASP 93 Cb -0.02 -0.50 0.43 0.00 -0.30 0.00 0.00 42.92 42.54 2wgo s ASP 93 CO 0.21 -2.05 1.71 -0.78 -0.17 0.00 0.00 175.17 174.09 2wgo h ASP 94 N -0.92 0.40 -3.42 -0.34 1.82 -2.07 -3.40 116.42 108.50 2wgo h ASP 94 Ca -0.42 -0.14 -0.60 0.00 -0.39 0.00 0.00 57.03 55.48 2wgo h ASP 94 Cb 1.27 -0.11 -0.10 0.00 0.68 0.00 0.00 39.33 41.08 2wgo h ASP 94 CO 0.47 0.70 0.15 -0.83 -1.61 0.00 0.00 179.24 178.11 2wgo s GLY 95 N -4.09 2.00 0.00 -0.78 0.00 -1.26 -5.12 107.32 98.07 2wgo s GLY 95 Ca -0.06 -0.28 0.26 0.00 0.00 0.00 0.00 44.72 44.63 2wgo s GLY 95 CO 0.78 1.37 1.46 -1.72 0.00 0.00 0.00 173.10 175.00