#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo n SER 0 N 0.00 0.00 -1.64 1.61 3.41 -1.26 -3.97 113.62 111.77 2wgo n SER 0 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2wgo n SER 0 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2wgo n SER 0 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wgo n LEU 1 N -0.76 -0.50 -2.00 1.04 -0.00 -1.26 -4.77 117.00 108.75 2wgo n LEU 1 Ca 0.00 0.22 -0.24 0.00 -0.00 0.00 0.00 56.01 55.99 2wgo n LEU 1 Cb 0.00 -1.35 0.04 0.00 -0.00 0.00 0.00 43.42 42.11 2wgo n LEU 1 CO 0.00 -0.23 0.38 0.00 -0.00 0.00 0.00 177.39 177.53 2wgo n ILE 2 N -1.97 2.68 -0.03 1.47 0.13 -1.26 -4.63 119.36 115.75 2wgo n ILE 2 Ca -0.07 -3.97 -0.21 0.00 -1.10 0.00 0.00 62.75 57.40 2wgo n ILE 2 Cb 0.33 -1.10 -0.13 0.00 -0.84 0.00 0.00 39.64 37.90 2wgo n ILE 2 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2wgo n LEU 3 N -0.76 2.73 0.00 9.51 -0.00 -1.26 -3.82 117.00 123.39 2wgo n LEU 3 Ca 0.46 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 2wgo n LEU 3 Cb 0.92 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2wgo n LEU 3 CO 0.44 0.88 0.00 -0.67 -0.00 0.00 0.00 177.39 178.03 2wgo n ASP 4 N -3.43 0.00 -2.69 1.45 -0.08 -1.26 -3.19 116.55 107.35 2wgo n ASP 4 Ca -0.36 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 52.86 2wgo n ASP 4 Cb 1.03 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.57 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 5 N 0.00 0.11 3.25 0.27 0.00 -1.26 -4.97 105.19 102.60 2wgo n GLY 5 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.09 -3.76 -3.56 1.61 9.92 -1.19 -4.92 116.55 114.56 2wgo n ASP 6 Ca -0.06 -0.32 -0.16 0.00 -0.53 0.00 0.00 54.79 53.72 2wgo n ASP 6 Cb 0.75 -3.12 -0.08 0.00 -0.64 0.00 0.00 41.12 38.03 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2wgo s LEU 7 N -6.39 1.43 -0.05 0.64 2.96 -1.22 -4.89 118.68 111.16 2wgo s LEU 7 Ca 0.35 -1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 52.54 2wgo s LEU 7 Cb -0.19 0.72 -0.08 0.00 0.50 0.00 0.00 46.19 47.15 2wgo s LEU 7 CO 0.43 -1.05 0.52 -0.07 -1.32 0.00 0.00 176.35 174.86 2wgo h LEU 8 N 2.25 -0.33 0.00 -0.68 4.07 -1.85 -3.45 115.31 115.31 2wgo h LEU 8 Ca -0.28 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2wgo h LEU 8 Cb 1.24 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2wgo h LEU 8 CO 0.41 0.13 0.00 0.29 -1.08 0.00 0.00 178.44 178.19 2wgo n LYS 9 N -5.04 0.00 -3.91 1.13 4.76 -1.26 -4.34 118.16 109.50 2wgo n LYS 9 Ca -0.05 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.08 2wgo n LYS 9 Cb 0.18 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.21 2wgo n LYS 9 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wgo s ASP 10 N -3.57 3.99 0.00 4.39 2.15 -1.26 -5.10 116.67 117.27 2wgo s ASP 10 Ca 0.00 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2wgo s ASP 10 Cb 0.00 -1.17 0.00 0.00 -0.30 0.00 0.00 42.92 41.45 2wgo s ASP 10 CO 0.00 -0.29 0.00 2.29 -0.17 0.00 0.00 175.17 177.00 2wgo n LYS 11 N 4.65 3.22 -1.55 4.34 2.85 -1.26 -5.04 118.16 125.36 2wgo n LYS 11 Ca -0.08 0.00 -0.63 0.00 -1.05 0.00 0.00 58.31 56.55 2wgo n LYS 11 Cb 0.43 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.71 2wgo n LYS 11 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wgo n LEU 12 N 0.00 1.23 -0.39 -5.58 4.77 -1.26 -4.79 117.00 110.97 2wgo n LEU 12 Ca 0.00 0.96 0.05 0.00 -0.03 0.00 0.00 56.01 56.98 2wgo n LEU 12 Cb 0.00 -0.94 0.07 0.00 -2.33 0.00 0.00 43.42 40.22 2wgo n LEU 12 CO 0.00 -0.76 0.38 0.29 -1.33 0.00 0.00 177.39 175.96 2wgo n LYS 13 N 5.61 0.62 -3.82 3.23 5.02 -1.26 -5.08 118.16 122.47 2wgo n LYS 13 Ca 0.40 -1.84 -0.08 0.00 -2.02 0.00 0.00 58.31 54.76 2wgo n LYS 13 Cb -0.02 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2wgo s LEU 14 N -1.37 -0.11 0.00 -0.35 0.05 -1.26 -5.17 118.68 110.47 2wgo s LEU 14 Ca 0.17 -0.59 0.00 0.00 0.05 0.00 0.00 54.13 53.76 2wgo s LEU 14 Cb 0.16 2.41 0.00 0.00 -2.05 0.00 0.00 46.19 46.71 2wgo s LEU 14 CO -0.00 -1.22 0.00 -2.65 -0.55 0.00 0.00 176.35 171.93 2wgo n PRO 15 N -0.41 2.02 -1.67 1.48 -0.02 -1.26 -4.91 135.00 130.23 2wgo n PRO 15 Ca -0.06 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.90 2wgo n PRO 15 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 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 -0.16 0.25 -2.65 -1.45 3.14 -1.26 -4.94 118.33 111.26 2wgo n VAL 16 Ca 0.00 -0.04 -0.33 0.00 -2.96 0.00 0.00 64.34 61.01 2wgo n VAL 16 Cb 0.00 -1.35 -0.06 0.00 -1.06 0.00 0.00 33.84 31.38 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 2.46 4.44 0.68 1.55 1.01 0.22 -4.92 121.20 126.64 2wgo s ILE 17 Ca 0.90 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.76 2wgo s ILE 17 Cb -0.88 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 37.96 2wgo s ILE 17 CO 0.52 -0.47 1.22 -0.62 0.00 0.00 0.00 174.94 175.60 2wgo s ASP 18 N -2.53 4.51 0.52 3.58 2.15 -1.26 -3.20 116.67 120.43 2wgo s ASP 18 Ca 0.61 2.41 0.26 0.00 0.43 0.00 0.00 52.55 56.25 2wgo s ASP 18 Cb -0.09 -2.60 1.42 0.00 -0.30 0.00 0.00 42.92 41.35 2wgo s ASP 18 CO 0.20 -2.05 2.08 -0.55 -0.17 0.00 0.00 175.17 174.68 2wgo h ASN 19 N 0.13 0.00 -0.30 -0.34 -1.07 -1.95 -2.27 115.58 109.78 2wgo h ASN 19 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.88 2wgo h ASN 19 Cb 1.30 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.54 2wgo h ASN 19 CO 0.52 0.12 0.16 0.25 0.07 0.00 0.00 177.43 178.55 2wgo h LEU 20 N 0.00 0.38 -1.15 6.14 5.85 -1.97 0.64 115.31 125.19 2wgo h LEU 20 Ca -0.00 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2wgo h LEU 20 Cb 0.30 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2wgo h LEU 20 CO 0.02 0.36 0.58 0.15 -0.34 0.00 0.00 178.44 179.20 2wgo h PHE 21 N 0.37 1.09 -0.01 1.25 3.57 -1.77 0.25 116.94 121.68 2wgo h PHE 21 Ca 0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2wgo h PHE 21 Cb 0.07 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 2wgo h PHE 21 CO -0.03 0.68 0.00 0.78 -2.23 0.00 0.00 178.31 177.51 2wgo h GLY 22 N 1.17 0.02 1.40 2.40 0.00 -1.26 -1.64 103.07 105.16 2wgo h GLY 22 Ca 0.32 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.72 2wgo h GLY 22 CO -0.08 0.01 0.22 0.50 0.00 0.00 0.00 176.54 177.20 2wgo h LYS 23 N -0.26 0.00 0.15 4.80 1.79 0.12 0.50 116.57 123.66 2wgo h LYS 23 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2wgo h LYS 23 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wgo h LYS 23 CO 0.00 0.00 -0.07 0.93 -1.08 0.00 0.00 179.45 179.23 2wgo h GLU 24 N 0.00 -0.19 0.29 3.15 4.39 -0.34 -1.60 114.58 120.28 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 0.57 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2wgo h GLU 24 CO -0.00 0.20 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.58 2wgo h LEU 25 N -0.64 -1.11 -2.14 1.33 3.38 -0.01 -0.88 115.31 115.24 2wgo h LEU 25 Ca -0.02 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wgo h LEU 25 Cb 0.48 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2wgo h LEU 25 CO 0.03 -0.48 0.06 -0.07 0.09 0.00 0.00 178.44 178.08 2wgo h LEU 26 N -0.70 0.00 -0.01 1.67 4.07 -0.22 -0.74 115.31 119.38 2wgo h LEU 26 Ca -0.03 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 2wgo h LEU 26 Cb 0.64 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.38 2wgo h LEU 26 CO -0.10 0.00 -0.30 -0.78 -1.08 0.00 0.00 178.44 176.18 2wgo h ASP 27 N 0.00 0.29 -0.69 -0.43 3.58 -1.07 0.27 116.42 118.37 2wgo h ASP 27 Ca 0.04 -0.75 0.07 0.00 0.42 0.00 0.00 57.03 56.81 2wgo h ASP 27 Cb 0.16 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 2wgo h ASP 27 CO -0.00 0.99 0.45 0.11 -2.88 0.00 0.00 179.24 177.91 2wgo h LYS 28 N -0.39 0.67 -0.49 0.28 1.57 0.21 -1.46 116.57 116.95 2wgo h LYS 28 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wgo h LYS 28 Cb 1.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2wgo h LYS 28 CO 0.06 0.44 0.00 1.19 -0.57 0.00 0.00 179.45 180.57 2wgo n PHE 29 N -4.48 0.87 -0.32 -1.35 3.72 -0.47 -4.50 117.46 110.94 2wgo n PHE 29 Ca 0.10 -0.57 -0.04 0.00 -0.05 0.00 0.00 57.45 56.89 2wgo n PHE 29 Cb 0.24 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 38.76 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 2.98 1.15 -0.20 -1.08 5.75 0.20 0.70 115.11 124.62 2wgo h GLN 30 Ca 0.00 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 2wgo h GLN 30 Cb 1.04 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 2wgo h GLN 30 CO 0.08 0.77 -0.03 0.38 -2.65 0.00 0.00 178.83 177.38 2wgo h ASP 31 N 1.18 0.27 -0.03 -0.69 3.04 -1.79 0.34 116.42 118.73 2wgo h ASP 31 Ca 0.32 -0.04 -0.04 0.00 -3.24 0.00 0.00 57.03 54.02 2wgo h ASP 31 Cb -0.12 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.11 2wgo h ASP 31 CO -0.07 0.34 -0.15 -0.78 -2.04 0.00 0.00 179.24 176.54 2wgo h ASP 32 N 0.28 0.19 -0.86 4.15 1.82 -1.53 0.10 116.42 120.56 2wgo h ASP 32 Ca 0.07 -0.66 0.01 0.00 -0.39 0.00 0.00 57.03 56.06 2wgo h ASP 32 Cb 0.24 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 2wgo h ASP 32 CO 0.01 0.82 0.57 0.40 -1.61 0.00 0.00 179.24 179.42 2wgo h ILE 33 N -0.43 1.21 0.00 2.25 2.04 -0.53 0.40 117.51 122.45 2wgo h ILE 33 Ca -0.01 -0.40 -0.20 0.00 1.00 0.00 0.00 64.86 65.25 2wgo h ILE 33 Cb 0.81 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2wgo h ILE 33 CO 0.03 0.21 -0.96 0.50 0.00 0.00 0.00 178.15 177.94 2wgo h LYS 34 N 1.15 0.00 0.03 2.37 3.64 -0.39 0.22 116.57 123.59 2wgo h LYS 34 Ca 0.32 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2wgo h LYS 34 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2wgo h LYS 34 CO -0.08 0.96 -0.01 0.22 -2.27 0.00 0.00 179.45 178.27 2wgo h ASP 35 N 0.00 -0.03 0.13 4.20 3.58 -0.60 -2.24 116.42 121.46 2wgo h ASP 35 Ca -0.01 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2wgo h ASP 35 Cb 1.73 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.79 2wgo h ASP 35 CO 0.12 0.22 -0.06 0.11 -2.88 0.00 0.00 179.24 176.75 2wgo h LYS 36 N -0.28 -0.16 0.00 0.28 1.57 -0.89 -3.41 116.57 113.67 2wgo h LYS 36 Ca -0.00 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2wgo h LYS 36 Cb 0.26 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2wgo h LYS 36 CO 0.01 0.09 -2.14 0.66 -0.57 0.00 0.00 179.45 177.50 2wgo n TYR 37 N -4.87 0.00 -1.45 -1.35 4.01 0.70 -5.02 117.16 109.18 2wgo n TYR 37 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2wgo n TYR 37 Cb 0.17 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 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 1.77 0.59 3.43 2.72 0.00 -0.69 -4.97 105.19 108.04 2wgo n GLY 38 Ca -0.22 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.63 2.51 -0.36 1.61 1.01 -1.24 -4.93 120.40 116.38 2wgo s VAL 39 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 2wgo s VAL 39 Cb 0.00 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.34 2wgo s VAL 39 CO 0.00 0.14 0.11 -0.62 0.00 0.00 0.00 175.10 174.73 2wgo s ASP 40 N -1.97 5.17 0.40 3.32 -1.08 -1.26 -3.90 116.67 117.35 2wgo s ASP 40 Ca 0.15 -1.53 0.29 0.00 -0.52 0.00 0.00 52.55 50.94 2wgo s ASP 40 Cb -0.10 -1.81 1.35 0.00 -1.46 0.00 0.00 42.92 40.90 2wgo s ASP 40 CO 0.07 -0.40 1.86 0.71 0.52 0.00 0.00 175.17 177.94 2wgo h THR 41 N 6.34 0.00 0.00 1.71 1.35 -1.92 0.07 112.91 120.46 2wgo h THR 41 Ca -0.19 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 2wgo h THR 41 Cb 1.06 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2wgo h THR 41 CO 0.62 0.00 -0.18 0.50 -0.25 0.00 0.00 175.52 176.21 2wgo h LYS 42 N 0.00 0.00 -0.01 4.72 3.64 -1.93 -2.55 116.57 120.44 2wgo h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wgo h LYS 42 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wgo h LYS 42 CO 0.00 0.18 -0.43 -3.47 -2.27 0.00 0.00 179.45 173.47 2wgo n ASP 43 N -3.31 1.29 -4.76 4.20 4.64 0.00 -4.90 116.55 113.71 2wgo n ASP 43 Ca 0.00 -1.03 -0.40 0.00 -1.38 0.00 0.00 54.79 51.99 2wgo n ASP 43 Cb 0.42 0.34 -0.06 0.00 -1.04 0.00 0.00 41.12 40.79 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2wgo s LEU 44 N -2.60 4.56 -0.42 -2.67 1.02 -0.96 -4.53 118.68 113.09 2wgo s LEU 44 Ca 0.19 1.66 -0.15 0.00 0.02 0.00 0.00 54.13 55.85 2wgo s LEU 44 Cb 0.18 -3.35 0.02 0.00 0.02 0.00 0.00 46.19 43.07 2wgo s LEU 44 CO 0.59 0.14 0.32 -0.75 0.02 0.00 0.00 176.35 176.67 2wgo s LYS 45 N -0.82 2.99 -0.30 1.70 2.20 -0.64 -4.93 119.74 119.95 2wgo s LYS 45 Ca 0.38 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 2wgo s LYS 45 Cb -0.23 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.12 2wgo s LYS 45 CO 0.27 -0.78 1.10 0.42 -0.36 0.00 0.00 175.35 176.00 2wgo s ILE 46 N 1.74 4.48 -0.15 5.43 1.01 -1.26 -0.13 121.20 132.33 2wgo s ILE 46 Ca 0.06 1.72 -0.21 0.00 0.00 0.00 0.00 60.65 62.22 2wgo s ILE 46 Cb -0.19 -4.35 -0.24 0.00 0.01 0.00 0.00 42.46 37.68 2wgo s ILE 46 CO 0.10 -0.42 0.50 -0.07 0.00 0.00 0.00 174.94 175.05 2wgo h LEU 47 N 10.06 0.16 -6.52 2.97 3.38 -0.38 -3.46 115.31 121.53 2wgo h LEU 47 Ca -0.21 -0.77 -0.21 0.00 0.09 0.00 0.00 57.88 56.78 2wgo h LEU 47 Cb 1.07 -0.05 -0.31 0.00 0.09 0.00 0.00 40.66 41.45 2wgo h LEU 47 CO 1.02 1.43 -0.53 -0.75 0.09 0.00 0.00 178.44 179.70 2wgo s LYS 48 N -2.38 0.32 -0.14 1.13 2.20 -0.85 -5.01 119.74 115.01 2wgo s LYS 48 Ca -0.23 0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.49 2wgo s LYS 48 Cb 0.03 -0.64 -0.02 0.00 -1.51 0.00 0.00 37.83 35.69 2wgo s LYS 48 CO 0.69 -0.72 0.80 0.99 -0.36 0.00 0.00 175.35 176.75 2wgo s THR 49 N 2.48 4.93 0.04 3.43 2.01 -1.19 -1.30 115.64 126.03 2wgo s THR 49 Ca 0.11 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.68 2wgo s THR 49 Cb -0.15 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2wgo s THR 49 CO -0.18 0.09 0.07 -1.20 -0.69 0.00 0.00 174.62 172.71 2wgo n SER 50 N 4.82 -0.19 -2.25 3.53 7.64 -0.22 0.73 113.62 127.67 2wgo n SER 50 Ca 0.03 -1.16 -0.07 0.00 1.01 0.00 0.00 58.87 58.67 2wgo n SER 50 Cb 0.50 0.33 0.01 0.00 -1.01 0.00 0.00 64.21 64.03 2wgo n SER 50 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2wgo n GLU 51 N -0.05 0.67 -3.09 1.43 -0.00 -1.26 -0.05 120.64 118.29 2wgo n GLU 51 Ca -0.01 -1.64 0.02 0.00 -0.00 0.00 0.00 57.16 55.54 2wgo n GLU 51 Cb 0.06 1.86 -0.00 0.00 -0.00 0.00 0.00 31.44 33.35 2wgo n GLU 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2wgo s ASP 52 N -2.42 -1.14 1.30 -1.84 2.15 0.15 -4.77 116.67 110.09 2wgo s ASP 52 Ca 0.14 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2wgo s ASP 52 Cb -0.02 1.54 0.00 0.00 -0.30 0.00 0.00 42.92 44.14 2wgo s ASP 52 CO 0.10 -0.16 0.00 0.29 -0.17 0.00 0.00 175.17 175.24 2wgo n LYS 53 N 4.55 0.00 -0.53 4.34 4.01 -1.26 -2.32 118.16 126.95 2wgo n LYS 53 Ca 0.08 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.93 2wgo n LYS 53 Cb 0.58 0.00 0.24 0.00 -0.51 0.00 0.00 35.03 35.34 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2wgo n ARG 54 N 0.00 3.30 -3.96 1.97 1.74 -1.26 -4.73 116.66 113.71 2wgo n ARG 54 Ca 0.00 -1.88 -0.13 0.00 -0.77 0.00 0.00 57.85 55.07 2wgo n ARG 54 Cb 0.00 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 29.36 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 -2.03 0.15 -0.05 -1.55 0.40 -0.98 -1.00 117.98 112.92 2wgo s PHE 55 Ca 0.33 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.56 2wgo s PHE 55 Cb 0.25 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.64 2wgo s PHE 55 CO 0.10 -0.01 0.16 0.71 0.70 0.00 0.00 175.22 176.88 2wgo s TYR 56 N -0.13 3.55 -0.36 0.36 1.51 0.12 0.30 117.35 122.69 2wgo s TYR 56 Ca -0.00 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.47 2wgo s TYR 56 Cb -0.01 -1.86 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 2wgo s TYR 56 CO -0.00 0.67 0.14 0.71 -1.11 0.00 0.00 175.55 175.96 2wgo s TYR 57 N -1.22 2.04 -0.59 2.71 2.02 0.93 -1.12 117.35 122.12 2wgo s TYR 57 Ca 0.23 -2.13 -0.11 0.00 -0.37 0.00 0.00 57.07 54.69 2wgo s TYR 57 Cb -0.12 -1.91 0.15 0.00 -0.40 0.00 0.00 41.96 39.67 2wgo s TYR 57 CO 0.14 -0.85 0.49 0.08 -1.57 0.00 0.00 175.55 173.84 2wgo s VAL 58 N 1.08 4.70 -0.29 0.71 1.01 -0.35 -1.06 120.40 126.21 2wgo s VAL 58 Ca 0.13 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.77 2wgo s VAL 58 Cb -0.20 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2wgo s VAL 58 CO -0.14 -0.87 1.38 -0.55 0.00 0.00 0.00 175.10 174.92 2wgo s SER 59 N 2.49 6.58 0.19 3.32 0.15 -0.42 0.08 113.70 126.09 2wgo s SER 59 Ca 0.10 1.27 0.03 0.00 0.70 0.00 0.00 55.95 58.04 2wgo s SER 59 Cb -0.22 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 2wgo s SER 59 CO -0.02 -1.15 -0.02 0.68 1.20 0.00 0.00 173.24 173.93 2wgo s VAL 60 N 4.64 0.87 -0.21 4.45 -7.23 0.36 0.42 120.40 123.70 2wgo s VAL 60 Ca 0.60 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.67 2wgo s VAL 60 Cb -0.18 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2wgo s VAL 60 CO 0.25 -0.48 0.11 -0.62 -0.31 0.00 0.00 175.10 174.05 2wgo s ASP 61 N -3.21 5.86 0.00 4.85 2.15 0.82 -0.53 116.67 126.60 2wgo s ASP 61 Ca 0.24 0.09 0.30 0.00 0.43 0.00 0.00 52.55 53.61 2wgo s ASP 61 Cb 0.05 -2.03 1.75 0.00 -0.30 0.00 0.00 42.92 42.39 2wgo s ASP 61 CO 0.05 0.11 2.11 0.00 -0.17 0.00 0.00 175.17 177.28 2wgo n ALA 62 N 3.95 2.59 0.00 3.66 0.00 0.19 -1.61 120.51 129.28 2wgo n ALA 62 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wgo n ALA 62 Cb 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.94 2.16 0.37 0.00 0.00 -1.26 -4.70 105.19 102.69 2wgo n GLY 63 Ca 0.21 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.80 0.00 1.61 3.58 -1.95 -3.45 116.42 117.01 2wgo h ASP 64 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2wgo h ASP 64 Cb 0.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2wgo h ASP 64 CO 0.00 0.45 0.00 0.61 -2.88 0.00 0.00 179.24 177.42 2wgo n GLY 65 N -1.40 0.99 3.79 -0.78 0.00 -1.26 -5.13 105.19 101.39 2wgo n GLY 65 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2wgo n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wgo s GLU 66 N 0.00 4.45 -0.24 1.61 -1.05 -1.26 -4.89 118.70 117.32 2wgo s GLU 66 Ca 0.00 1.31 -0.03 0.00 -0.15 0.00 0.00 54.97 56.10 2wgo s GLU 66 Cb 0.00 -2.63 0.02 0.00 -0.44 0.00 0.00 34.13 31.07 2wgo s GLU 66 CO 0.00 0.16 -0.05 0.15 0.95 0.00 0.00 175.26 176.47 2wgo s LYS 67 N -2.35 2.98 -0.15 -4.83 1.02 -1.26 -0.64 119.74 114.50 2wgo s LYS 67 Ca 0.54 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.65 2wgo s LYS 67 Cb -0.17 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2wgo s LYS 67 CO 0.22 -0.36 -0.18 0.00 -0.92 0.00 0.00 175.35 174.11 2wgo s LYS 69 N 0.84 3.31 -0.19 0.00 2.47 -1.13 -0.49 119.74 124.56 2wgo s LYS 69 Ca -0.05 -0.94 -0.29 0.00 -1.56 0.00 0.00 55.97 53.13 2wgo s LYS 69 Cb -0.15 -4.55 -0.04 0.00 -1.46 0.00 0.00 37.83 31.62 2wgo s LYS 69 CO -0.01 -1.95 1.90 -0.06 0.16 0.00 0.00 175.35 175.38 2wgo s PHE 70 N 4.33 1.62 -1.16 4.03 0.08 0.11 -3.27 117.98 123.72 2wgo s PHE 70 Ca 0.31 0.37 -0.13 0.00 0.12 0.00 0.00 56.93 57.61 2wgo s PHE 70 Cb -0.09 -4.04 0.20 0.00 -0.57 0.00 0.00 43.02 38.52 2wgo s PHE 70 CO 0.04 -3.77 1.31 0.21 -0.10 0.00 0.00 175.22 172.91 2wgo s LYS 71 N 5.32 4.10 -1.28 0.44 2.20 -0.91 -1.21 119.74 128.40 2wgo s LYS 71 Ca 0.85 -2.75 -0.18 0.00 -0.36 0.00 0.00 55.97 53.53 2wgo s LYS 71 Cb -0.30 -4.89 0.02 0.00 -1.51 0.00 0.00 37.83 31.15 2wgo s LYS 71 CO 0.34 -1.60 1.91 -0.89 -0.36 0.00 0.00 175.35 174.75 2wgo n ILE 72 N 4.05 3.35 -1.66 5.43 5.41 -0.27 -3.41 119.36 132.25 2wgo n ILE 72 Ca 0.32 -3.31 -0.49 0.00 1.00 0.00 0.00 62.75 60.27 2wgo n ILE 72 Cb 0.42 -2.39 -0.05 0.00 -0.71 0.00 0.00 39.64 36.91 2wgo n ILE 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2wgo n ARG 73 N 7.69 1.88 -0.43 0.38 0.63 -1.26 0.10 116.66 125.65 2wgo n ARG 73 Ca 0.49 0.68 -0.28 0.00 -0.92 0.00 0.00 57.85 57.82 2wgo n ARG 73 Cb 0.44 -2.45 0.27 0.00 0.45 0.00 0.00 32.46 31.17 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 4.50 -2.92 0.00 -0.14 5.02 -0.17 -4.10 118.16 120.35 2wgo n LYS 74 Ca 0.20 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 2wgo n LYS 74 Cb 0.26 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -5.08 1.39 -4.68 4.39 2.03 -1.25 -4.67 116.55 108.68 2wgo n ASP 75 Ca 0.03 -1.21 -0.43 0.00 0.52 0.00 0.00 54.79 53.70 2wgo n ASP 75 Cb 0.55 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.10 4.60 0.00 5.18 -7.23 -1.26 -4.28 120.40 117.31 2wgo s VAL 76 Ca 0.00 1.90 0.00 0.00 -1.81 0.00 0.00 61.98 62.07 2wgo s VAL 76 Cb 0.00 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.72 2wgo s VAL 76 CO 0.00 -0.07 0.00 -0.67 -0.31 0.00 0.00 175.10 174.05 2wgo n ASP 77 N 5.62 0.00 -4.83 4.85 2.03 -1.26 -4.76 116.55 118.20 2wgo n ASP 77 Ca 0.11 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 2wgo n ASP 77 Cb 0.47 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 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 4.70 0.43 5.18 0.11 -1.26 -5.11 120.40 124.45 2wgo s VAL 78 Ca 0.00 -0.92 -0.22 0.00 -2.93 0.00 0.00 61.98 57.91 2wgo s VAL 78 Cb 0.00 -3.38 -0.09 0.00 -1.53 0.00 0.00 36.38 31.38 2wgo s VAL 78 CO 0.00 -0.06 1.02 -2.16 -3.33 0.00 0.00 175.10 170.57 2wgo s PRO 79 N -2.99 4.07 1.07 1.54 0.04 -1.26 -4.18 135.00 133.29 2wgo s PRO 79 Ca 0.32 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2wgo s PRO 79 Cb -0.11 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2wgo s PRO 79 CO 0.24 -0.20 0.00 0.36 0.04 0.00 0.00 177.00 177.45 2wgo n LYS 80 N -0.45 -0.21 -2.56 4.56 2.85 -1.25 -4.83 118.16 116.28 2wgo n LYS 80 Ca 0.07 0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 57.04 2wgo n LYS 80 Cb 0.51 -0.25 -0.03 0.00 -0.65 0.00 0.00 35.03 34.62 2wgo n LYS 80 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2wgo s MET 81 N -0.30 4.42 0.55 -1.58 -1.94 -1.26 -4.41 119.30 114.79 2wgo s MET 81 Ca 0.00 1.57 0.23 0.00 -1.71 0.00 0.00 55.69 55.78 2wgo s MET 81 Cb 0.00 -3.50 1.52 0.00 2.01 0.00 0.00 34.83 34.86 2wgo s MET 81 CO 0.00 -0.31 2.18 -0.24 -0.01 0.00 0.00 175.02 176.64 2wgo h VAL 82 N 4.91 0.76 0.00 -6.03 3.04 -1.77 -3.46 116.25 113.71 2wgo h VAL 82 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2wgo h VAL 82 Cb 1.18 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2wgo h VAL 82 CO 0.84 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.01 2wgo n GLY 83 N -1.45 -0.65 3.43 3.17 0.00 -1.22 -4.87 105.19 103.60 2wgo n GLY 83 Ca -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 2wgo n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wgo s ARG 84 N -1.34 0.98 -0.24 1.61 1.70 -1.26 -2.15 118.95 118.24 2wgo s ARG 84 Ca 0.00 0.05 -0.03 0.00 -0.47 0.00 0.00 55.73 55.28 2wgo s ARG 84 Cb 0.00 0.45 0.11 0.00 -0.57 0.00 0.00 34.95 34.94 2wgo s ARG 84 CO 0.00 -0.31 0.23 0.21 -1.08 0.00 0.00 175.30 174.35 2wgo s LYS 85 N -1.52 0.23 -0.42 3.89 2.47 -1.20 -4.93 119.74 118.25 2wgo s LYS 85 Ca -0.10 0.03 -0.29 0.00 -1.56 0.00 0.00 55.97 54.04 2wgo s LYS 85 Cb -0.01 -1.04 0.02 0.00 -1.46 0.00 0.00 37.83 35.34 2wgo s LYS 85 CO 0.06 -0.81 1.27 0.00 0.16 0.00 0.00 175.35 176.04 2wgo n ARG 87 N 7.83 1.98 0.09 0.00 1.74 -1.07 -4.17 116.66 123.07 2wgo n ARG 87 Ca 0.14 -2.08 -0.05 0.00 -0.77 0.00 0.00 57.85 55.10 2wgo n ARG 87 Cb 0.48 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2wgo n ARG 87 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wgo h LYS 88 N 0.83 0.00 0.00 5.56 1.79 -1.90 -3.43 116.57 119.42 2wgo h LYS 88 Ca 0.41 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2wgo h LYS 88 Cb 2.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.89 2wgo h LYS 88 CO 0.73 0.84 -0.22 -0.25 -1.08 0.00 0.00 179.45 179.47 2wgo n ASP 89 N -3.54 0.22 -4.28 0.86 8.00 -1.26 -5.08 116.55 111.48 2wgo n ASP 89 Ca -0.00 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2wgo n ASP 89 Cb 0.81 0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.79 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wgo s ASP 90 N -5.25 3.68 -0.47 -2.24 -1.08 -1.26 -5.06 116.67 105.00 2wgo s ASP 90 Ca 0.00 -0.45 0.03 0.00 -0.52 0.00 0.00 52.55 51.61 2wgo s ASP 90 Cb 0.00 -1.56 0.15 0.00 -1.46 0.00 0.00 42.92 40.05 2wgo s ASP 90 CO 0.00 0.11 0.30 -0.62 0.52 0.00 0.00 175.17 175.48 2wgo s ASP 91 N 0.68 3.24 -0.30 -0.34 2.15 -1.26 -4.38 116.67 116.47 2wgo s ASP 91 Ca -0.08 -2.88 -0.12 0.00 0.43 0.00 0.00 52.55 49.90 2wgo s ASP 91 Cb -0.16 -0.92 0.13 0.00 -0.30 0.00 0.00 42.92 41.68 2wgo s ASP 91 CO 0.02 -0.22 0.75 -0.62 -0.17 0.00 0.00 175.17 174.94 2wgo s ASP 92 N 0.07 -0.95 0.03 -0.34 -1.08 -1.26 -5.14 116.67 108.00 2wgo s ASP 92 Ca 0.22 1.34 -0.25 0.00 -0.52 0.00 0.00 52.55 53.35 2wgo s ASP 92 Cb -0.14 1.95 0.06 0.00 -1.46 0.00 0.00 42.92 43.32 2wgo s ASP 92 CO -0.07 -0.19 0.56 -0.62 0.52 0.00 0.00 175.17 175.37 2wgo s ASP 93 N 2.50 -0.50 -0.59 -0.34 2.15 -1.26 -5.08 116.67 113.55 2wgo s ASP 93 Ca -0.06 0.31 -0.19 0.00 0.43 0.00 0.00 52.55 53.05 2wgo s ASP 93 Cb -0.09 0.51 0.11 0.00 -0.30 0.00 0.00 42.92 43.14 2wgo s ASP 93 CO -0.19 -0.70 0.68 -0.62 -0.17 0.00 0.00 175.17 174.18 2wgo s ASP 94 N -1.78 6.18 0.00 -0.34 3.68 -1.26 -4.09 116.67 119.06 2wgo s ASP 94 Ca -0.07 -1.48 0.00 0.00 2.13 0.00 0.00 52.55 53.13 2wgo s ASP 94 Cb -0.01 -2.29 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 2wgo s ASP 94 CO 0.01 -1.09 0.00 0.61 0.13 0.00 0.00 175.17 174.83 2wgo n GLY 95 N 5.28 3.75 0.00 2.66 0.00 -1.26 -5.07 105.19 110.55 2wgo n GLY 95 Ca -0.10 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.16 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30