#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 6.98 -1.26 1.61 0.15 0.14 -4.63 113.70 116.70 2wgo s SER 0 Ca 0.00 -2.87 -0.15 0.00 0.70 0.00 0.00 55.95 53.63 2wgo s SER 0 Cb 0.00 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 62.13 2wgo s SER 0 CO 0.00 -0.67 1.60 0.18 1.20 0.00 0.00 173.24 175.56 2wgo n LEU 1 N 4.76 5.35 -3.22 3.45 7.99 -1.26 -3.52 117.00 130.55 2wgo n LEU 1 Ca 0.26 -4.31 -0.12 0.00 -0.01 0.00 0.00 56.01 51.84 2wgo n LEU 1 Cb 0.44 -1.65 -0.05 0.00 -0.11 0.00 0.00 43.42 42.06 2wgo n LEU 1 CO 0.50 0.64 -0.07 -0.51 -1.51 0.00 0.00 177.39 176.44 2wgo s ILE 2 N 2.29 -0.52 -0.05 -0.08 1.10 -1.26 -5.00 121.20 117.68 2wgo s ILE 2 Ca 0.46 -0.97 0.03 0.00 -0.51 0.00 0.00 60.65 59.67 2wgo s ILE 2 Cb 0.01 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 42.16 2wgo s ILE 2 CO 0.02 -0.43 -0.14 -1.48 -2.11 0.00 0.00 174.94 170.80 2wgo s LEU 3 N 1.25 1.80 0.07 8.50 2.34 -1.26 -2.52 118.68 128.85 2wgo s LEU 3 Ca 0.21 -0.31 0.22 0.00 0.06 0.00 0.00 54.13 54.31 2wgo s LEU 3 Cb -0.08 -0.85 -0.20 0.00 -0.56 0.00 0.00 46.19 44.50 2wgo s LEU 3 CO -0.06 0.09 0.72 -0.67 -1.06 0.00 0.00 176.35 175.37 2wgo n ASP 4 N 3.42 0.35 0.00 1.48 -0.08 0.12 -4.95 116.55 116.89 2wgo n ASP 4 Ca -0.20 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2wgo n ASP 4 Cb 0.53 1.35 0.00 0.00 2.34 0.00 0.00 41.12 45.34 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 1.23 -0.10 2.44 0.27 0.00 -1.26 -4.87 105.19 102.91 2wgo n GLY 5 Ca -0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.17 0.00 1.61 2.03 -1.26 -4.89 116.55 108.87 2wgo n ASP 6 Ca 0.00 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2wgo n ASP 6 Cb 0.00 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2wgo n LEU 7 N -2.71 0.00 -3.41 -2.67 7.94 -1.26 -4.48 117.00 110.40 2wgo n LEU 7 Ca -0.18 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.58 2wgo n LEU 7 Cb 0.64 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.49 2wgo n LEU 7 CO 0.28 0.00 -0.14 -0.22 -1.11 0.00 0.00 177.39 176.20 2wgo s LEU 8 N 0.00 -0.36 -0.01 -1.96 2.96 -1.26 0.12 118.68 118.16 2wgo s LEU 8 Ca 0.00 -0.17 0.21 0.00 -0.22 0.00 0.00 54.13 53.95 2wgo s LEU 8 Cb 0.00 0.71 -0.27 0.00 0.50 0.00 0.00 46.19 47.13 2wgo s LEU 8 CO 0.00 -0.33 0.70 0.29 -1.32 0.00 0.00 176.35 175.69 2wgo n LYS 9 N 5.34 0.39 -0.01 1.98 5.02 -1.26 -4.30 118.16 125.31 2wgo n LYS 9 Ca -0.04 -0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 2wgo n LYS 9 Cb 0.49 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2wgo n LYS 9 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2wgo h ASP 10 N 0.00 0.15 -3.55 4.39 1.82 -1.98 -3.43 116.42 113.81 2wgo h ASP 10 Ca 0.00 -0.01 -0.23 0.00 -0.39 0.00 0.00 57.03 56.40 2wgo h ASP 10 Cb 0.70 -0.04 -0.30 0.00 0.68 0.00 0.00 39.33 40.37 2wgo h ASP 10 CO 0.00 0.11 -0.60 -1.59 -1.61 0.00 0.00 179.24 175.55 2wgo s LYS 11 N -6.16 0.10 -0.15 0.28 -2.85 -1.26 -5.16 119.74 104.54 2wgo s LYS 11 Ca -0.13 0.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.95 2wgo s LYS 11 Cb 0.07 -0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2wgo s LYS 11 CO 0.68 -0.11 0.49 -1.17 0.10 0.00 0.00 175.35 175.33 2wgo s LEU 12 N 0.78 0.14 -1.11 2.77 2.96 -1.26 -4.82 118.68 118.14 2wgo s LEU 12 Ca -0.06 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 2wgo s LEU 12 Cb -0.08 1.71 0.00 0.00 0.50 0.00 0.00 46.19 48.32 2wgo s LEU 12 CO -0.04 -0.24 0.07 0.29 -1.32 0.00 0.00 176.35 175.11 2wgo n LYS 13 N 2.47 -1.45 -2.03 1.98 5.02 -1.26 -4.93 118.16 117.96 2wgo n LYS 13 Ca -0.15 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.36 2wgo n LYS 13 Cb 0.57 -4.86 -0.03 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.94 4.37 0.05 -0.35 1.43 -1.22 -4.84 118.68 114.18 2wgo s LEU 14 Ca 0.04 2.48 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 2wgo s LEU 14 Cb -0.02 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 2wgo s LEU 14 CO 0.04 -0.76 1.41 -0.65 0.23 0.00 0.00 176.35 176.62 2wgo h PRO 15 N 6.98 -0.82 -3.27 1.29 0.11 -1.92 -2.65 132.00 131.72 2wgo h PRO 15 Ca -0.42 0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2wgo h PRO 15 Cb 1.20 0.19 -0.23 0.00 0.11 0.00 0.00 31.00 32.27 2wgo h PRO 15 CO 0.90 -0.55 -0.43 0.54 -0.21 0.00 0.00 178.00 178.25 2wgo s VAL 16 N -5.13 0.04 0.32 3.15 0.11 -1.26 -4.68 120.40 112.95 2wgo s VAL 16 Ca -0.14 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 58.67 2wgo s VAL 16 Cb 0.02 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2wgo s VAL 16 CO 0.44 -0.19 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.29 2wgo s ILE 17 N -0.70 2.44 0.35 7.04 1.01 0.33 -4.93 121.20 126.73 2wgo s ILE 17 Ca -0.08 -2.22 -0.27 0.00 0.00 0.00 0.00 60.65 58.08 2wgo s ILE 17 Cb -0.04 -2.57 -0.12 0.00 0.01 0.00 0.00 42.46 39.73 2wgo s ILE 17 CO 0.02 -0.27 1.20 0.47 0.00 0.00 0.00 174.94 176.35 2wgo n ASP 18 N -0.77 2.25 0.23 3.58 8.00 -1.26 -3.93 116.55 124.65 2wgo n ASP 18 Ca -0.05 1.17 0.09 0.00 0.71 0.00 0.00 54.79 56.71 2wgo n ASP 18 Cb 0.62 -1.43 0.55 0.00 -0.02 0.00 0.00 41.12 40.84 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 2.25 0.00 -0.24 -2.24 -1.07 -1.91 -0.67 115.58 111.70 2wgo h ASN 19 Ca -0.45 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.86 2wgo h ASN 19 Cb 1.30 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.55 2wgo h ASN 19 CO 0.61 0.22 -0.09 0.25 0.07 0.00 0.00 177.43 178.49 2wgo h LEU 20 N 0.00 0.49 -1.30 6.14 5.85 -1.96 0.36 115.31 124.90 2wgo h LEU 20 Ca -0.00 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2wgo h LEU 20 Cb 0.57 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2wgo h LEU 20 CO 0.03 0.78 0.48 0.15 -0.34 0.00 0.00 178.44 179.53 2wgo h PHE 21 N 0.20 0.90 0.08 1.25 3.57 -1.75 0.97 116.94 122.16 2wgo h PHE 21 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2wgo h PHE 21 Cb 0.58 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2wgo h PHE 21 CO 0.06 0.56 -0.04 0.78 -2.23 0.00 0.00 178.31 177.44 2wgo h GLY 22 N 0.96 -0.11 0.28 2.40 0.00 -0.97 -2.27 103.07 103.37 2wgo h GLY 22 Ca 0.26 0.04 0.20 0.00 0.00 0.00 0.00 47.33 47.84 2wgo h GLY 22 CO -0.06 -0.04 0.60 0.50 0.00 0.00 0.00 176.54 177.54 2wgo h LYS 23 N -0.49 0.42 1.00 4.80 6.56 0.36 0.10 116.57 129.32 2wgo h LYS 23 Ca -0.01 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.51 2wgo h LYS 23 Cb 0.42 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 31.99 2wgo h LYS 23 CO 0.02 0.28 -0.49 0.93 -2.06 0.00 0.00 179.45 178.13 2wgo h GLU 24 N 0.43 -1.31 -0.35 3.15 4.39 -0.73 0.21 114.58 120.37 2wgo h GLU 24 Ca 0.48 0.09 0.07 0.00 0.34 0.00 0.00 59.36 60.33 2wgo h GLU 24 Cb 1.16 0.30 -0.09 0.00 -0.10 0.00 0.00 28.75 30.02 2wgo h GLU 24 CO -0.19 -0.87 -0.41 -0.07 -1.16 0.00 0.00 179.01 176.31 2wgo h LEU 25 N -1.35 -1.33 -1.81 1.33 3.38 -0.28 0.49 115.31 115.74 2wgo h LEU 25 Ca -0.14 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wgo h LEU 25 Cb 1.04 0.58 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2wgo h LEU 25 CO 0.22 -0.37 -0.14 -0.07 0.09 0.00 0.00 178.44 178.17 2wgo h LEU 26 N -0.34 0.00 -0.56 1.67 4.07 -1.10 -0.71 115.31 118.34 2wgo h LEU 26 Ca 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 2wgo h LEU 26 Cb 0.58 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 2wgo h LEU 26 CO -0.53 0.14 0.24 -0.78 -1.08 0.00 0.00 178.44 176.43 2wgo h ASP 27 N 0.00 0.76 0.57 -0.43 1.82 0.12 0.50 116.42 119.77 2wgo h ASP 27 Ca -0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 2wgo h ASP 27 Cb 0.28 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.09 2wgo h ASP 27 CO 0.02 0.71 -0.04 0.11 -1.61 0.00 0.00 179.24 178.43 2wgo h LYS 28 N 0.77 0.00 -0.14 0.28 6.56 -0.06 -2.57 116.57 121.40 2wgo h LYS 28 Ca 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 2wgo h LYS 28 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2wgo h LYS 28 CO -0.02 0.04 0.00 1.19 -2.06 0.00 0.00 179.45 178.60 2wgo n PHE 29 N -3.22 0.17 -0.26 -1.35 3.01 -0.74 -0.62 117.46 114.46 2wgo n PHE 29 Ca -0.01 -0.13 0.06 0.00 1.01 0.00 0.00 57.45 58.37 2wgo n PHE 29 Cb 0.23 -0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.88 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 2.90 0.40 -0.21 -1.08 4.15 0.39 0.88 115.11 122.55 2wgo h GLN 30 Ca 0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2wgo h GLN 30 Cb 0.68 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2wgo h GLN 30 CO 0.00 0.27 -0.44 -0.44 -1.93 0.00 0.00 178.83 176.29 2wgo h ASP 31 N 0.41 0.57 -0.16 -0.69 3.32 -1.84 -0.66 116.42 117.37 2wgo h ASP 31 Ca 0.42 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2wgo h ASP 31 Cb 0.66 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2wgo h ASP 31 CO -0.42 0.93 -0.24 -0.78 -1.72 0.00 0.00 179.24 177.01 2wgo h ASP 32 N 0.43 0.49 -0.91 6.45 1.82 -0.98 0.16 116.42 123.87 2wgo h ASP 32 Ca 0.03 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.14 2wgo h ASP 32 Cb 0.94 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.77 2wgo h ASP 32 CO 0.08 0.91 0.53 0.40 -1.61 0.00 0.00 179.24 179.55 2wgo h ILE 33 N 0.07 1.26 0.00 2.25 2.04 0.65 0.16 117.51 123.94 2wgo h ILE 33 Ca 0.02 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2wgo h ILE 33 Cb 0.81 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2wgo h ILE 33 CO 0.06 0.28 -0.13 0.50 0.00 0.00 0.00 178.15 178.85 2wgo h LYS 34 N 1.26 0.00 0.02 2.37 3.64 -1.00 0.33 116.57 123.19 2wgo h LYS 34 Ca 0.32 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 2wgo h LYS 34 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wgo h LYS 34 CO -0.06 0.13 -0.21 0.22 -2.27 0.00 0.00 179.45 177.26 2wgo h ASP 35 N 0.00 0.15 0.57 4.20 3.58 0.00 -2.35 116.42 122.58 2wgo h ASP 35 Ca -0.00 -0.88 -0.28 0.00 0.42 0.00 0.00 57.03 56.29 2wgo h ASP 35 Cb 1.04 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2wgo h ASP 35 CO 0.02 1.01 -1.35 0.11 -2.88 0.00 0.00 179.24 176.14 2wgo h LYS 36 N -0.69 0.25 0.00 0.28 1.57 -0.71 -3.41 116.57 113.86 2wgo h LYS 36 Ca -0.03 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2wgo h LYS 36 Cb 1.06 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wgo h LYS 36 CO 0.04 1.16 -0.79 0.66 -0.57 0.00 0.00 179.45 179.95 2wgo n TYR 37 N -3.48 0.00 -1.62 -1.35 4.01 0.96 -5.07 117.16 110.60 2wgo n TYR 37 Ca -0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 2wgo n TYR 37 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 2.29 0.22 3.13 2.72 0.00 -0.10 -4.94 105.19 108.50 2wgo n GLY 38 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.01 0.84 -0.26 1.61 1.01 -1.24 -4.91 120.40 114.44 2wgo s VAL 39 Ca 0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 2wgo s VAL 39 Cb -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2wgo s VAL 39 CO 0.05 -0.35 0.08 -0.62 0.00 0.00 0.00 175.10 174.27 2wgo s ASP 40 N -1.79 5.22 0.47 3.32 3.68 -1.26 -3.90 116.67 122.41 2wgo s ASP 40 Ca -0.04 -0.23 0.28 0.00 2.13 0.00 0.00 52.55 54.68 2wgo s ASP 40 Cb -0.09 -1.94 0.85 0.00 -1.45 0.00 0.00 42.92 40.29 2wgo s ASP 40 CO 0.01 -0.05 1.79 0.71 0.13 0.00 0.00 175.17 177.76 2wgo h THR 41 N 5.55 0.00 -0.35 1.71 1.35 -1.89 -0.00 112.91 119.29 2wgo h THR 41 Ca -0.37 -0.72 -0.09 0.00 -0.55 0.00 0.00 66.41 64.68 2wgo h THR 41 Cb 1.17 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2wgo h THR 41 CO 0.58 0.00 -0.13 0.11 -0.25 0.00 0.00 175.52 175.83 2wgo h LYS 42 N 0.00 0.70 0.12 4.72 1.57 -1.94 -3.19 116.57 118.56 2wgo h LYS 42 Ca 0.00 -0.29 -0.29 0.00 -1.87 0.00 0.00 60.65 58.20 2wgo h LYS 42 Cb 0.74 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2wgo h LYS 42 CO 0.00 0.89 -1.40 0.22 -0.57 0.00 0.00 179.45 178.59 2wgo h ASP 43 N 0.49 0.40 -1.76 0.86 3.58 -1.97 -3.46 116.42 114.56 2wgo h ASP 43 Ca 0.08 -0.49 -0.68 0.00 0.42 0.00 0.00 57.03 56.36 2wgo h ASP 43 Cb 0.66 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.60 2wgo h ASP 43 CO 0.04 1.40 0.93 -0.11 -2.88 0.00 0.00 179.24 178.62 2wgo n LEU 44 N -3.48 2.72 -4.57 2.28 7.94 -0.03 -4.88 117.00 116.98 2wgo n LEU 44 Ca -0.13 1.04 -0.42 0.00 -1.11 0.00 0.00 56.01 55.40 2wgo n LEU 44 Cb 1.03 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 2wgo n LEU 44 CO 0.52 -0.35 0.39 -0.75 -1.11 0.00 0.00 177.39 176.09 2wgo s LYS 45 N 3.32 3.66 -0.15 1.96 2.20 -1.13 -4.89 119.74 124.72 2wgo s LYS 45 Ca 0.94 0.04 -0.23 0.00 -0.36 0.00 0.00 55.97 56.36 2wgo s LYS 45 Cb -0.91 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 31.57 2wgo s LYS 45 CO 0.58 -0.75 0.70 0.42 -0.36 0.00 0.00 175.35 175.94 2wgo s ILE 46 N 2.72 5.00 -0.23 5.43 1.01 -1.26 0.14 121.20 134.02 2wgo s ILE 46 Ca 0.24 1.38 -0.15 0.00 0.00 0.00 0.00 60.65 62.12 2wgo s ILE 46 Cb -0.14 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 2wgo s ILE 46 CO 0.15 0.14 -0.34 0.18 0.00 0.00 0.00 174.94 175.07 2wgo n LEU 47 N 4.64 1.90 -3.50 2.97 4.77 0.93 -4.89 117.00 123.82 2wgo n LEU 47 Ca 0.00 0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 56.02 2wgo n LEU 47 Cb 0.50 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 2wgo n LEU 47 CO 0.46 0.18 -0.32 -0.75 -1.33 0.00 0.00 177.39 175.63 2wgo s LYS 48 N -2.66 0.46 0.22 3.23 2.20 -0.74 -4.93 119.74 117.52 2wgo s LYS 48 Ca -0.33 -1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 53.89 2wgo s LYS 48 Cb 0.10 -1.31 -0.09 0.00 -1.51 0.00 0.00 37.83 35.03 2wgo s LYS 48 CO 0.45 -1.14 1.11 0.99 -0.36 0.00 0.00 175.35 176.40 2wgo s THR 49 N 1.39 3.66 0.00 3.43 2.01 -1.25 -0.68 115.64 124.20 2wgo s THR 49 Ca 0.15 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.67 2wgo s THR 49 Cb -0.21 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2wgo s THR 49 CO -0.12 0.30 0.00 -1.54 -0.69 0.00 0.00 174.62 172.58 2wgo n SER 50 N 1.88 0.00 -3.72 3.53 3.41 0.26 0.12 113.62 119.09 2wgo n SER 50 Ca 0.01 -0.93 -0.05 0.00 -0.26 0.00 0.00 58.87 57.64 2wgo n SER 50 Cb 0.45 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2wgo s GLU 51 N -1.79 1.23 0.00 4.33 -1.05 -1.00 0.65 118.70 121.07 2wgo s GLU 51 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2wgo s GLU 51 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2wgo s GLU 51 CO 0.00 -0.56 0.00 -3.47 0.95 0.00 0.00 175.26 172.18 2wgo n ASP 52 N -0.43 0.00 -4.06 0.83 2.03 -0.96 -3.39 116.55 110.57 2wgo n ASP 52 Ca -0.07 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.90 2wgo n ASP 52 Cb 0.61 0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.98 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wgo s LYS 53 N -0.36 2.97 0.00 -0.67 1.02 -1.26 -4.03 119.74 117.40 2wgo s LYS 53 Ca 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 55.97 52.84 2wgo s LYS 53 Cb 0.00 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 2wgo s LYS 53 CO 0.00 -1.25 0.00 0.54 -0.92 0.00 0.00 175.35 173.72 2wgo n ARG 54 N 2.47 0.00 -3.71 1.68 1.74 -1.26 -4.92 116.66 112.66 2wgo n ARG 54 Ca 0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 2wgo n ARG 54 Cb 0.37 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.13 3.64 0.34 -1.55 2.99 -1.26 -4.24 117.98 117.78 2wgo s PHE 55 Ca 0.00 0.71 -0.20 0.00 0.00 0.00 0.00 56.93 57.44 2wgo s PHE 55 Cb 0.00 -2.11 -0.10 0.00 0.00 0.00 0.00 43.02 40.82 2wgo s PHE 55 CO 0.00 0.66 0.85 0.71 -0.00 0.00 0.00 175.22 177.45 2wgo s TYR 56 N -0.93 3.47 -0.31 0.36 2.02 0.21 -2.26 117.35 119.90 2wgo s TYR 56 Ca 0.18 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.38 2wgo s TYR 56 Cb -0.14 -2.74 0.10 0.00 -0.40 0.00 0.00 41.96 38.78 2wgo s TYR 56 CO 0.08 0.09 0.10 0.71 -1.57 0.00 0.00 175.55 174.95 2wgo s TYR 57 N -1.89 1.81 -0.68 2.71 2.02 0.21 -1.37 117.35 120.15 2wgo s TYR 57 Ca 0.54 -1.81 -0.11 0.00 -0.37 0.00 0.00 57.07 55.32 2wgo s TYR 57 Cb -0.13 -1.78 0.18 0.00 -0.40 0.00 0.00 41.96 39.83 2wgo s TYR 57 CO 0.18 -0.88 0.59 0.08 -1.57 0.00 0.00 175.55 173.95 2wgo s VAL 58 N 1.56 4.96 -0.13 0.71 1.01 0.81 -0.58 120.40 128.74 2wgo s VAL 58 Ca 0.10 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 59.50 2wgo s VAL 58 Cb -0.17 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wgo s VAL 58 CO -0.24 -0.93 1.33 -0.44 0.00 0.00 0.00 175.10 174.81 2wgo s SER 59 N 2.21 6.91 0.16 3.32 0.01 0.14 0.30 113.70 126.76 2wgo s SER 59 Ca 0.13 1.81 0.05 0.00 1.31 0.00 0.00 55.95 59.26 2wgo s SER 59 Cb -0.18 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2wgo s SER 59 CO -0.04 -0.77 -0.11 0.68 0.41 0.00 0.00 173.24 173.41 2wgo s VAL 60 N 3.39 1.31 -0.31 3.43 -7.23 0.24 -0.05 120.40 121.18 2wgo s VAL 60 Ca 0.58 -2.10 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 2wgo s VAL 60 Cb -0.24 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2wgo s VAL 60 CO 0.18 -0.70 0.85 -0.62 -0.31 0.00 0.00 175.10 174.50 2wgo s ASP 61 N -3.21 6.72 0.00 4.85 3.68 0.12 -0.73 116.67 128.10 2wgo s ASP 61 Ca 0.18 0.74 0.14 0.00 2.13 0.00 0.00 52.55 55.75 2wgo s ASP 61 Cb 0.02 -2.44 0.79 0.00 -1.45 0.00 0.00 42.92 39.85 2wgo s ASP 61 CO 0.02 -0.67 1.29 0.00 0.13 0.00 0.00 175.17 175.94 2wgo n ALA 62 N 6.34 1.95 -0.07 3.66 0.00 0.45 -2.82 120.51 130.02 2wgo n ALA 62 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wgo n ALA 62 Cb 0.48 -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 -0.13 0.48 0.00 0.00 0.00 -1.26 -4.85 105.19 99.43 2wgo n GLY 63 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2wgo n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 64 N 0.00 1.45 0.00 1.61 8.00 -1.26 -4.96 116.55 121.38 2wgo n ASP 64 Ca 0.00 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.99 2wgo n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgo n GLY 65 N -0.26 3.46 3.72 0.44 0.00 -1.26 -5.04 105.19 106.25 2wgo n GLY 65 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.92 4.19 -0.99 1.61 2.02 -1.26 -4.79 118.70 118.56 2wgo s GLU 66 Ca 0.00 2.42 -0.14 0.00 0.02 0.00 0.00 54.97 57.27 2wgo s GLU 66 Cb 0.00 -3.18 0.20 0.00 0.10 0.00 0.00 34.13 31.26 2wgo s GLU 66 CO 0.00 -0.66 1.05 0.15 0.02 0.00 0.00 175.26 175.82 2wgo s LYS 67 N 1.30 3.83 -0.28 1.61 1.02 -1.25 -0.41 119.74 125.55 2wgo s LYS 67 Ca 0.72 -2.50 -0.24 0.00 0.02 0.00 0.00 55.97 53.97 2wgo s LYS 67 Cb -0.45 -4.68 -0.00 0.00 -0.52 0.00 0.00 37.83 32.18 2wgo s LYS 67 CO 0.32 -1.47 0.81 0.00 -0.92 0.00 0.00 175.35 174.08 2wgo s LYS 69 N 2.94 3.20 -0.12 0.00 2.20 -0.56 -0.59 119.74 126.81 2wgo s LYS 69 Ca 0.34 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 2wgo s LYS 69 Cb -0.14 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 2wgo s LYS 69 CO 0.11 -1.18 1.33 -0.06 -0.36 0.00 0.00 175.35 175.19 2wgo s PHE 70 N 2.87 2.75 -0.75 4.03 0.40 0.15 -2.04 117.98 125.39 2wgo s PHE 70 Ca 0.20 0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 57.31 2wgo s PHE 70 Cb -0.16 -3.57 0.20 0.00 0.51 0.00 0.00 43.02 39.99 2wgo s PHE 70 CO 0.15 -2.05 0.65 0.21 0.70 0.00 0.00 175.22 174.89 2wgo s LYS 71 N 3.36 3.25 -0.34 0.44 2.20 -0.52 -0.14 119.74 127.99 2wgo s LYS 71 Ca 0.58 -2.45 -0.24 0.00 -0.36 0.00 0.00 55.97 53.51 2wgo s LYS 71 Cb -0.25 -4.20 0.01 0.00 -1.51 0.00 0.00 37.83 31.88 2wgo s LYS 71 CO 0.19 -1.25 0.80 0.42 -0.36 0.00 0.00 175.35 175.14 2wgo s ILE 72 N 0.15 4.74 -0.18 5.43 1.01 -0.47 -2.00 121.20 129.87 2wgo s ILE 72 Ca 0.17 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.84 2wgo s ILE 72 Cb -0.14 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.27 2wgo s ILE 72 CO -0.07 -0.38 1.88 -1.14 0.00 0.00 0.00 174.94 175.23 2wgo n ARG 73 N 6.39 1.46 0.00 2.79 0.63 -1.02 0.64 116.66 127.55 2wgo n ARG 73 Ca 0.04 -0.93 0.00 0.00 -0.92 0.00 0.00 57.85 56.04 2wgo n ARG 73 Cb 0.48 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.03 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 0.67 0.00 -0.72 -0.14 5.02 -1.23 -2.88 118.16 118.88 2wgo n LYS 74 Ca 0.18 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 2wgo n LYS 74 Cb 0.60 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.96 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 -3.45 4.94 -4.56 4.39 -0.08 -1.05 -2.98 116.55 113.77 2wgo n ASP 75 Ca 0.00 -2.67 -0.35 0.00 -1.51 0.00 0.00 54.79 50.26 2wgo n ASP 75 Cb 0.00 -0.62 -0.04 0.00 2.34 0.00 0.00 41.12 42.80 2wgo n ASP 75 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2wgo s VAL 76 N -2.29 3.58 0.00 5.18 0.11 -1.14 -4.28 120.40 121.56 2wgo s VAL 76 Ca 0.48 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2wgo s VAL 76 Cb 0.35 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2wgo s VAL 76 CO 0.18 -1.32 0.00 -0.67 -3.33 0.00 0.00 175.10 169.95 2wgo n ASP 77 N 11.72 0.00 -4.87 3.54 2.03 -1.26 -4.88 116.55 122.83 2wgo n ASP 77 Ca 0.28 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.26 2wgo n ASP 77 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 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 4.92 -0.29 5.18 -7.23 -1.26 -4.98 120.40 116.74 2wgo s VAL 78 Ca 0.00 0.53 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 2wgo s VAL 78 Cb 0.00 -3.63 0.29 0.00 0.56 0.00 0.00 36.38 33.60 2wgo s VAL 78 CO 0.00 -0.02 1.74 -0.81 -0.31 0.00 0.00 175.10 175.70 2wgo n PRO 79 N 0.02 1.76 -0.97 4.82 -0.04 -1.26 -3.50 135.00 135.84 2wgo n PRO 79 Ca -0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2wgo n PRO 79 Cb 0.52 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2wgo n PRO 79 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wgo n LYS 80 N -0.07 0.00 -4.35 0.54 4.81 -1.16 0.28 118.16 118.21 2wgo n LYS 80 Ca 0.32 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.42 2wgo n LYS 80 Cb 0.86 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.77 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wgo s MET 81 N -0.85 3.50 0.33 1.64 0.23 -1.26 -2.43 119.30 120.46 2wgo s MET 81 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 55.69 54.07 2wgo s MET 81 Cb 0.00 -2.87 0.56 0.00 -1.53 0.00 0.00 34.83 30.99 2wgo s MET 81 CO 0.00 0.09 1.99 -0.24 -2.03 0.00 0.00 175.02 174.83 2wgo h VAL 82 N 5.40 1.17 -0.38 5.16 3.04 -1.71 -3.44 116.25 125.50 2wgo h VAL 82 Ca -0.33 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2wgo h VAL 82 Cb 1.19 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2wgo h VAL 82 CO 0.60 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 177.94 2wgo n GLY 83 N -1.43 1.88 3.15 3.17 0.00 -0.92 -5.00 105.19 106.05 2wgo n GLY 83 Ca 0.08 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.56 2wgo n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wgo s ARG 84 N 1.22 0.10 -0.17 1.61 3.52 -1.26 -1.44 118.95 122.53 2wgo s ARG 84 Ca 0.00 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2wgo s ARG 84 Cb 0.00 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2wgo s ARG 84 CO 0.00 -0.16 -0.20 0.15 -0.81 0.00 0.00 175.30 174.28 2wgo s LYS 85 N 2.97 2.92 -0.26 5.12 1.02 -0.86 -4.91 119.74 125.74 2wgo s LYS 85 Ca 0.21 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 2wgo s LYS 85 Cb -0.03 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2wgo s LYS 85 CO -0.19 -0.16 1.26 0.00 -0.92 0.00 0.00 175.35 175.35 2wgo s ARG 87 N 3.91 1.79 0.40 0.00 0.52 0.08 -4.87 118.95 120.77 2wgo s ARG 87 Ca 0.54 -2.77 0.22 0.00 -0.52 0.00 0.00 55.73 53.20 2wgo s ARG 87 Cb -0.18 -2.60 0.44 0.00 0.52 0.00 0.00 34.95 33.13 2wgo s ARG 87 CO 0.19 -1.31 1.62 -0.22 0.02 0.00 0.00 175.30 175.61 2wgo h LYS 88 N 5.62 0.00 -2.25 3.54 3.64 -1.92 -3.28 116.57 121.92 2wgo h LYS 88 Ca 0.17 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.82 2wgo h LYS 88 Cb 0.83 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.32 2wgo h LYS 88 CO 0.57 0.19 0.42 -0.25 -2.27 0.00 0.00 179.45 178.12 2wgo n ASP 89 N -3.18 6.32 -0.78 4.20 9.92 -1.26 -4.89 116.55 126.87 2wgo n ASP 89 Ca 0.02 -3.69 0.05 0.00 -0.53 0.00 0.00 54.79 50.64 2wgo n ASP 89 Cb 0.56 -0.94 -0.03 0.00 -0.64 0.00 0.00 41.12 40.07 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wgo n ASP 90 N -0.14 -4.22 -3.97 -2.24 2.03 -1.24 -5.00 116.55 101.78 2wgo n ASP 90 Ca 0.41 0.86 -0.22 0.00 0.52 0.00 0.00 54.79 56.36 2wgo n ASP 90 Cb 0.31 -2.40 -0.16 0.00 -0.72 0.00 0.00 41.12 38.14 2wgo n ASP 90 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2wgo s ASP 91 N -5.06 1.35 0.00 1.67 1.47 -1.26 -4.90 116.67 109.94 2wgo s ASP 91 Ca 0.00 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.52 2wgo s ASP 91 Cb 0.00 -0.61 0.00 0.00 -0.34 0.00 0.00 42.92 41.97 2wgo s ASP 91 CO 0.00 0.00 0.00 0.47 0.68 0.00 0.00 175.17 176.32 2wgo n ASP 92 N 3.85 0.00 -4.90 2.11 9.92 -1.26 -5.02 116.55 121.24 2wgo n ASP 92 Ca -0.24 0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 53.90 2wgo n ASP 92 Cb 0.52 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.72 2wgo n ASP 92 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2wgo s ASP 93 N -2.33 5.15 0.00 -2.24 -4.77 -1.26 -5.13 116.67 106.09 2wgo s ASP 93 Ca 0.00 -0.69 0.00 0.00 -3.30 0.00 0.00 52.55 48.56 2wgo s ASP 93 Cb 0.00 -0.59 0.00 0.00 -1.09 0.00 0.00 42.92 41.24 2wgo s ASP 93 CO 0.00 -0.67 0.00 -0.90 0.70 0.00 0.00 175.17 174.30 2wgo n ASP 94 N -1.60 0.00 -3.02 2.11 5.68 -1.26 -5.02 116.55 113.44 2wgo n ASP 94 Ca 0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.19 2wgo n ASP 94 Cb 0.61 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.61 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgo n GLY 95 N 3.98 -1.25 0.29 6.12 0.00 -1.26 -5.13 105.19 107.94 2wgo n GLY 95 Ca 0.00 1.08 0.04 0.00 0.00 0.00 0.00 46.02 47.14 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60