#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo h SER 0 N 0.00 -0.94 0.00 1.61 0.02 0.20 -2.97 113.55 111.46 2wgo h SER 0 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2wgo h SER 0 Cb 0.00 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2wgo h SER 0 CO 0.00 -0.64 0.00 -0.11 -1.14 0.00 0.00 176.83 174.94 2wgo n LEU 1 N -5.55 0.00 0.24 5.07 7.94 -1.26 -4.49 117.00 118.95 2wgo n LEU 1 Ca -0.15 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.85 2wgo n LEU 1 Cb 0.45 0.12 0.61 0.00 0.53 0.00 0.00 43.42 45.13 2wgo n LEU 1 CO 0.38 -0.12 0.91 -0.29 -1.11 0.00 0.00 177.39 177.16 2wgo h ILE 2 N 0.00 0.72 -1.42 1.96 6.09 -1.92 -3.27 117.51 119.67 2wgo h ILE 2 Ca 0.00 -0.73 -0.41 0.00 -1.37 0.00 0.00 64.86 62.35 2wgo h ILE 2 Cb 0.00 1.45 -0.39 0.00 0.47 0.00 0.00 36.82 38.35 2wgo h ILE 2 CO 0.00 0.17 -1.18 -0.11 -3.07 0.00 0.00 178.15 173.97 2wgo n LEU 3 N -3.74 1.07 -4.54 2.19 7.94 -1.26 -5.05 117.00 113.62 2wgo n LEU 3 Ca -0.02 -4.29 -0.30 0.00 -1.11 0.00 0.00 56.01 50.29 2wgo n LEU 3 Cb 0.29 0.56 -0.08 0.00 0.53 0.00 0.00 43.42 44.72 2wgo n LEU 3 CO 0.32 1.90 1.88 -0.67 -1.11 0.00 0.00 177.39 179.71 2wgo n ASP 4 N 0.09 1.49 -3.96 1.96 4.64 -1.24 -2.18 116.55 117.36 2wgo n ASP 4 Ca 0.16 -0.63 -0.31 0.00 -1.38 0.00 0.00 54.79 52.63 2wgo n ASP 4 Cb 0.75 -1.39 0.02 0.00 -1.04 0.00 0.00 41.12 39.45 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wgo n GLY 5 N 6.25 -0.47 0.46 0.27 0.00 -1.26 -4.78 105.19 105.66 2wgo n GLY 5 Ca 0.47 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.82 1.54 -1.96 1.61 -0.08 -0.93 -5.00 116.55 108.92 2wgo n ASP 6 Ca 0.02 0.24 -0.02 0.00 -1.51 0.00 0.00 54.79 53.52 2wgo n ASP 6 Cb 0.53 -0.57 -0.02 0.00 2.34 0.00 0.00 41.12 43.40 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2wgo n LEU 7 N -4.00 -3.77 -4.61 -2.67 7.94 -1.26 -4.97 117.00 103.65 2wgo n LEU 7 Ca -0.08 0.95 -0.41 0.00 -1.11 0.00 0.00 56.01 55.35 2wgo n LEU 7 Cb 0.30 -1.96 -0.06 0.00 0.53 0.00 0.00 43.42 42.23 2wgo n LEU 7 CO 0.12 -1.67 0.46 -0.22 -1.11 0.00 0.00 177.39 174.97 2wgo s LEU 8 N -0.30 4.12 0.00 -1.96 0.20 -1.26 -4.88 118.68 114.59 2wgo s LEU 8 Ca -0.12 0.53 0.09 0.00 0.69 0.00 0.00 54.13 55.32 2wgo s LEU 8 Cb 0.01 -2.91 -0.02 0.00 -0.43 0.00 0.00 46.19 42.84 2wgo s LEU 8 CO 0.33 -0.52 0.54 0.29 -0.29 0.00 0.00 176.35 176.70 2wgo n LYS 9 N 5.98 2.58 -0.18 1.98 5.02 -1.26 -4.16 118.16 128.12 2wgo n LYS 9 Ca 0.01 -0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 55.75 2wgo n LYS 9 Cb 0.49 -1.01 0.01 0.00 -0.02 0.00 0.00 35.03 34.49 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 0.78 0.88 -2.92 4.39 1.82 -1.99 -3.43 116.42 115.94 2wgo h ASP 10 Ca 0.00 -0.31 -0.57 0.00 -0.39 0.00 0.00 57.03 55.76 2wgo h ASP 10 Cb 0.27 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 2wgo h ASP 10 CO 0.00 0.98 -0.39 -0.54 -1.61 0.00 0.00 179.24 177.68 2wgo s LYS 11 N -5.00 3.52 0.00 0.28 -0.14 -1.26 -5.04 119.74 112.09 2wgo s LYS 11 Ca -0.12 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 2wgo s LYS 11 Cb 0.12 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 2wgo s LYS 11 CO 0.83 0.49 0.00 1.28 -0.76 0.00 0.00 175.35 177.19 2wgo n LEU 12 N -0.19 0.00 -3.57 3.17 4.32 -1.26 -4.42 117.00 115.05 2wgo n LEU 12 Ca -0.04 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.67 2wgo n LEU 12 Cb 0.52 -0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 42.13 2wgo n LEU 12 CO 0.49 -0.36 -0.33 -0.54 -1.22 0.00 0.00 177.39 175.44 2wgo s LYS 13 N -0.71 0.16 0.32 3.23 3.01 -1.26 -3.24 119.74 121.24 2wgo s LYS 13 Ca 0.00 -0.37 0.09 0.00 -1.01 0.00 0.00 55.97 54.67 2wgo s LYS 13 Cb 0.00 -1.44 -0.04 0.00 -1.01 0.00 0.00 37.83 35.34 2wgo s LYS 13 CO 0.00 -0.89 0.10 -0.48 0.51 0.00 0.00 175.35 174.60 2wgo s LEU 14 N 2.10 3.27 0.00 3.17 0.05 -1.26 -5.09 118.68 120.92 2wgo s LEU 14 Ca 0.06 -0.72 -0.14 0.00 0.05 0.00 0.00 54.13 53.38 2wgo s LEU 14 Cb -0.16 -1.75 0.22 0.00 -2.05 0.00 0.00 46.19 42.45 2wgo s LEU 14 CO -0.26 -0.21 0.51 -2.65 -0.55 0.00 0.00 176.35 173.19 2wgo n PRO 15 N -1.08 -2.62 -2.12 1.48 -0.02 -1.26 -4.70 135.00 124.68 2wgo n PRO 15 Ca -0.04 -0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 60.16 2wgo n PRO 15 Cb 0.61 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 2wgo n PRO 15 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wgo s VAL 16 N -1.80 3.67 0.51 -1.45 0.11 -1.26 -4.72 120.40 115.46 2wgo s VAL 16 Ca 0.39 0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 60.17 2wgo s VAL 16 Cb -0.07 -3.58 -0.08 0.00 -1.53 0.00 0.00 36.38 31.12 2wgo s VAL 16 CO 0.33 -0.05 1.00 -0.63 -3.33 0.00 0.00 175.10 172.42 2wgo s ILE 17 N 3.42 4.20 0.50 7.04 1.01 0.28 -4.89 121.20 132.75 2wgo s ILE 17 Ca 0.68 1.18 -0.23 0.00 0.00 0.00 0.00 60.65 62.28 2wgo s ILE 17 Cb -0.32 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 2wgo s ILE 17 CO 0.27 -0.48 1.33 -0.67 0.00 0.00 0.00 174.94 175.39 2wgo n ASP 18 N -1.35 2.69 0.09 3.58 -0.08 -1.26 -3.40 116.55 116.81 2wgo n ASP 18 Ca 0.08 1.03 0.15 0.00 -1.51 0.00 0.00 54.79 54.53 2wgo n ASP 18 Cb 0.53 -1.55 0.65 0.00 2.34 0.00 0.00 41.12 43.09 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2wgo h ASN 19 N 1.71 0.04 -0.42 1.67 7.08 -1.93 -0.95 115.58 122.79 2wgo h ASN 19 Ca -0.50 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.72 2wgo h ASN 19 Cb 1.30 -0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.51 2wgo h ASN 19 CO 0.58 0.02 0.26 0.25 -2.08 0.00 0.00 177.43 176.46 2wgo h LEU 20 N 0.04 0.49 -0.09 6.14 5.85 -1.95 0.20 115.31 126.00 2wgo h LEU 20 Ca 0.16 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wgo h LEU 20 Cb 0.57 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2wgo h LEU 20 CO -0.01 0.39 0.04 0.15 -0.34 0.00 0.00 178.44 178.67 2wgo h PHE 21 N 0.55 0.13 -0.47 1.25 3.04 -1.52 0.21 116.94 120.13 2wgo h PHE 21 Ca 0.15 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2wgo h PHE 21 Cb -0.02 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 2wgo h PHE 21 CO -0.04 0.20 0.16 0.78 -2.02 0.00 0.00 178.31 177.39 2wgo h GLY 22 N 0.02 0.78 1.23 2.40 0.00 -1.42 -2.29 103.07 103.80 2wgo h GLY 22 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 46.96 2wgo h GLY 22 CO -0.00 0.42 0.39 1.70 0.00 0.00 0.00 176.54 179.05 2wgo h LYS 23 N 0.62 0.60 0.27 4.80 1.63 -0.29 -1.86 116.57 122.33 2wgo h LYS 23 Ca 0.15 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2wgo h LYS 23 Cb 0.25 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2wgo h LYS 23 CO -0.01 0.40 -0.35 0.93 -3.45 0.00 0.00 179.45 176.97 2wgo h GLU 24 N 0.61 -0.65 -0.07 1.90 4.39 -0.02 0.11 114.58 120.86 2wgo h GLU 24 Ca 0.25 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2wgo h GLU 24 Cb 0.21 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2wgo h GLU 24 CO -0.07 -0.43 -0.34 -0.07 -1.16 0.00 0.00 179.01 176.93 2wgo h LEU 25 N -0.67 -1.05 -0.52 1.33 4.07 -1.11 -1.55 115.31 115.81 2wgo h LEU 25 Ca -0.00 0.14 0.01 0.00 0.08 0.00 0.00 57.88 58.11 2wgo h LEU 25 Cb 0.64 0.43 -0.03 0.00 1.08 0.00 0.00 40.66 42.78 2wgo h LEU 25 CO -0.12 -0.39 0.34 -0.07 -1.08 0.00 0.00 178.44 177.13 2wgo h LEU 26 N -0.45 0.58 -1.53 1.67 4.07 -1.30 -1.45 115.31 116.89 2wgo h LEU 26 Ca 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 2wgo h LEU 26 Cb 0.57 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2wgo h LEU 26 CO -0.32 0.42 -0.08 -0.78 -1.08 0.00 0.00 178.44 176.60 2wgo h ASP 27 N 0.69 0.19 0.16 -0.43 3.58 -0.50 0.12 116.42 120.23 2wgo h ASP 27 Ca 0.19 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 2wgo h ASP 27 Cb -0.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2wgo h ASP 27 CO -0.05 0.30 -0.42 0.11 -2.88 0.00 0.00 179.24 176.30 2wgo h LYS 28 N 0.20 0.34 -0.58 0.28 1.57 -0.25 -2.90 116.57 115.24 2wgo h LYS 28 Ca 0.05 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2wgo h LYS 28 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2wgo h LYS 28 CO 0.01 0.71 0.00 1.19 -0.57 0.00 0.00 179.45 180.79 2wgo n PHE 29 N -4.01 0.76 -0.27 -1.35 3.72 -0.57 -4.57 117.46 111.17 2wgo n PHE 29 Ca -0.02 -0.38 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 2wgo n PHE 29 Cb 0.50 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.26 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 4.24 0.40 -0.89 -1.08 4.15 -0.59 -0.00 115.11 121.33 2wgo h GLN 30 Ca 0.00 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.47 2wgo h GLN 30 Cb 0.95 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.49 2wgo h GLN 30 CO 0.00 0.27 0.58 -0.44 -1.93 0.00 0.00 178.83 177.31 2wgo h ASP 31 N 0.41 0.87 0.00 -0.69 5.19 -1.82 0.63 116.42 121.02 2wgo h ASP 31 Ca 0.45 0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.64 2wgo h ASP 31 Cb 0.74 -0.18 0.02 0.00 0.18 0.00 0.00 39.33 40.09 2wgo h ASP 31 CO -0.45 0.55 -0.89 -0.78 -3.12 0.00 0.00 179.24 174.55 2wgo h ASP 32 N 0.98 0.78 -0.21 6.45 1.82 -1.39 0.14 116.42 124.99 2wgo h ASP 32 Ca 0.39 -0.75 -0.04 0.00 -0.39 0.00 0.00 57.03 56.24 2wgo h ASP 32 Cb 0.25 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 2wgo h ASP 32 CO -0.15 1.43 0.01 0.40 -1.61 0.00 0.00 179.24 179.31 2wgo h ILE 33 N 0.21 1.18 0.00 2.25 2.04 -0.58 0.12 117.51 122.74 2wgo h ILE 33 Ca -0.11 -0.72 -0.19 0.00 1.00 0.00 0.00 64.86 64.84 2wgo h ILE 33 Cb 1.57 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 2wgo h ILE 33 CO 0.17 0.25 -1.06 0.50 0.00 0.00 0.00 178.15 178.02 2wgo h LYS 34 N 0.47 0.00 -0.08 2.37 3.64 0.30 0.19 116.57 123.45 2wgo h LYS 34 Ca 0.10 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2wgo h LYS 34 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2wgo h LYS 34 CO 0.01 0.63 -0.17 0.22 -2.27 0.00 0.00 179.45 177.87 2wgo h ASP 35 N 0.00 0.29 0.08 4.20 3.58 -0.24 -2.60 116.42 121.73 2wgo h ASP 35 Ca -0.08 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 56.80 2wgo h ASP 35 Cb 1.66 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2wgo h ASP 35 CO 0.09 0.80 -0.04 0.11 -2.88 0.00 0.00 179.24 177.32 2wgo h LYS 36 N -0.20 -0.10 0.00 0.28 1.57 -0.83 -3.41 116.57 113.87 2wgo h LYS 36 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wgo h LYS 36 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wgo h LYS 36 CO 0.04 -0.07 -1.70 0.66 -0.57 0.00 0.00 179.45 177.81 2wgo n TYR 37 N -4.26 0.21 -2.38 -1.35 4.01 0.53 -4.99 117.16 108.93 2wgo n TYR 37 Ca -0.01 0.06 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 2wgo n TYR 37 Cb 0.04 -0.56 0.01 0.00 -0.31 0.00 0.00 39.34 38.52 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 1.26 0.49 3.70 2.72 0.00 -0.30 -4.95 105.19 108.11 2wgo n GLY 38 Ca -0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.05 4.22 -0.39 1.61 1.01 -1.14 -4.90 120.40 117.77 2wgo s VAL 39 Ca 0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2wgo s VAL 39 Cb -0.01 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.53 2wgo s VAL 39 CO 0.10 0.34 0.20 -0.62 0.00 0.00 0.00 175.10 175.12 2wgo s ASP 40 N -1.69 5.44 0.41 3.32 -1.08 -1.26 -3.75 116.67 118.06 2wgo s ASP 40 Ca 0.21 -1.53 0.29 0.00 -0.52 0.00 0.00 52.55 51.00 2wgo s ASP 40 Cb -0.12 -1.91 1.39 0.00 -1.46 0.00 0.00 42.92 40.83 2wgo s ASP 40 CO 0.12 -0.48 1.88 0.71 0.52 0.00 0.00 175.17 177.92 2wgo h THR 41 N 6.19 0.00 0.00 1.71 1.35 -1.90 0.09 112.91 120.35 2wgo h THR 41 Ca -0.21 -0.17 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 2wgo h THR 41 Cb 1.07 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 2wgo h THR 41 CO 0.70 0.00 -0.32 0.11 -0.25 0.00 0.00 175.52 175.76 2wgo h LYS 42 N 0.00 0.00 0.00 4.72 1.57 -1.95 -2.63 116.57 118.28 2wgo h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wgo h LYS 42 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wgo h LYS 42 CO 0.00 0.32 -0.69 0.22 -0.57 0.00 0.00 179.45 178.73 2wgo h ASP 43 N 0.00 0.00 -3.12 0.86 1.82 -1.40 -3.46 116.42 111.11 2wgo h ASP 43 Ca -0.00 -0.04 -0.53 0.00 -0.39 0.00 0.00 57.03 56.07 2wgo h ASP 43 Cb 0.61 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.67 2wgo h ASP 43 CO 0.04 0.02 0.79 -0.76 -1.61 0.00 0.00 179.24 177.73 2wgo s LEU 44 N -5.32 4.38 -0.44 2.28 1.43 -0.99 -4.97 118.68 115.04 2wgo s LEU 44 Ca 0.03 2.59 -0.19 0.00 -1.03 0.00 0.00 54.13 55.53 2wgo s LEU 44 Cb 0.09 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.73 2wgo s LEU 44 CO 0.75 -0.73 0.54 -0.75 0.23 0.00 0.00 176.35 176.39 2wgo s LYS 45 N 0.41 3.17 -0.43 1.70 2.36 -1.12 -4.94 119.74 120.87 2wgo s LYS 45 Ca 0.64 -0.63 -0.28 0.00 -2.55 0.00 0.00 55.97 53.15 2wgo s LYS 45 Cb -0.42 -3.98 0.00 0.00 -1.05 0.00 0.00 37.83 32.39 2wgo s LYS 45 CO 0.37 -0.97 1.51 0.42 1.55 0.00 0.00 175.35 178.24 2wgo s ILE 46 N 2.47 3.77 -0.12 5.43 -1.09 -1.26 -0.23 121.20 130.16 2wgo s ILE 46 Ca 0.17 0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 59.18 2wgo s ILE 46 Cb -0.16 -4.12 -0.14 0.00 -1.58 0.00 0.00 42.46 36.46 2wgo s ILE 46 CO 0.15 -0.77 0.40 -0.07 -1.23 0.00 0.00 174.94 173.43 2wgo h LEU 47 N 12.89 0.00 -7.27 2.97 3.38 -0.46 -3.44 115.31 123.36 2wgo h LEU 47 Ca -0.29 -0.52 -0.32 0.00 0.09 0.00 0.00 57.88 56.84 2wgo h LEU 47 Cb 1.12 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.50 2wgo h LEU 47 CO 1.10 0.77 -0.68 -0.75 0.09 0.00 0.00 178.44 178.97 2wgo s LYS 48 N -1.91 -0.01 -0.07 1.13 2.20 -0.43 -4.96 119.74 115.70 2wgo s LYS 48 Ca -0.10 0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.92 2wgo s LYS 48 Cb -0.02 -0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 2wgo s LYS 48 CO 0.36 -0.32 0.21 0.99 -0.36 0.00 0.00 175.35 176.23 2wgo s THR 49 N 2.25 5.39 0.08 3.43 2.01 -1.22 -0.09 115.64 127.49 2wgo s THR 49 Ca 0.04 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 2wgo s THR 49 Cb -0.12 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.93 2wgo s THR 49 CO -0.05 0.53 0.50 -0.24 -0.69 0.00 0.00 174.62 174.68 2wgo n SER 50 N 1.68 -0.79 -3.89 3.53 2.88 -0.55 0.99 113.62 117.46 2wgo n SER 50 Ca -0.16 -1.40 -0.09 0.00 -1.33 0.00 0.00 58.87 55.89 2wgo n SER 50 Cb 0.54 1.29 -0.07 0.00 -0.75 0.00 0.00 64.21 65.22 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2wgo s GLU 51 N -2.02 1.00 0.13 -1.46 -1.05 -1.26 -0.92 118.70 113.12 2wgo s GLU 51 Ca 0.11 -1.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.91 2wgo s GLU 51 Cb -0.01 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2wgo s GLU 51 CO 0.02 -0.35 0.07 -3.47 0.95 0.00 0.00 175.26 172.48 2wgo n ASP 52 N -0.14 0.44 -4.61 0.83 -0.08 0.16 -4.14 116.55 109.01 2wgo n ASP 52 Ca -0.11 -1.75 -0.43 0.00 -1.51 0.00 0.00 54.79 50.99 2wgo n ASP 52 Cb 0.63 0.46 -0.03 0.00 2.34 0.00 0.00 41.12 44.51 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2wgo s LYS 53 N -2.50 3.33 0.00 -0.67 -0.14 -1.20 -2.49 119.74 116.07 2wgo s LYS 53 Ca 0.10 1.80 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 2wgo s LYS 53 Cb 0.00 -4.26 0.00 0.00 -1.68 0.00 0.00 37.83 31.89 2wgo s LYS 53 CO 0.07 -1.87 0.00 -2.13 -0.76 0.00 0.00 175.35 170.66 2wgo n ARG 54 N 8.47 0.00 -4.35 1.68 0.63 -1.26 -4.96 116.66 116.86 2wgo n ARG 54 Ca 0.26 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.94 2wgo n ARG 54 Cb 0.45 -3.19 -0.12 0.00 0.45 0.00 0.00 32.46 30.06 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wgo s PHE 55 N -2.79 2.01 0.03 -0.14 0.08 -1.04 -2.77 117.98 113.37 2wgo s PHE 55 Ca 0.00 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.69 2wgo s PHE 55 Cb 0.00 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2wgo s PHE 55 CO 0.00 0.34 -0.13 0.71 -0.10 0.00 0.00 175.22 176.04 2wgo s TYR 56 N -1.57 2.69 -0.17 0.36 2.02 0.28 0.38 117.35 121.34 2wgo s TYR 56 Ca 0.14 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2wgo s TYR 56 Cb -0.08 -1.51 0.05 0.00 -0.40 0.00 0.00 41.96 40.02 2wgo s TYR 56 CO 0.07 0.30 0.02 0.71 -1.57 0.00 0.00 175.55 175.08 2wgo s TYR 57 N -0.97 1.03 -0.57 2.71 2.02 -0.10 -1.40 117.35 120.08 2wgo s TYR 57 Ca 0.16 -0.76 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 2wgo s TYR 57 Cb -0.11 -1.02 0.15 0.00 -0.40 0.00 0.00 41.96 40.59 2wgo s TYR 57 CO 0.07 -0.56 0.39 0.08 -1.57 0.00 0.00 175.55 173.95 2wgo s VAL 58 N 1.86 3.70 -0.14 0.71 1.01 -0.11 -1.49 120.40 125.93 2wgo s VAL 58 Ca 0.00 -2.65 -0.29 0.00 0.00 0.00 0.00 61.98 59.04 2wgo s VAL 58 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2wgo s VAL 58 CO -0.07 -0.83 1.18 -0.44 0.00 0.00 0.00 175.10 174.94 2wgo s SER 59 N 1.15 7.03 0.11 3.32 0.01 0.87 0.52 113.70 126.70 2wgo s SER 59 Ca 0.14 1.65 0.03 0.00 1.31 0.00 0.00 55.95 59.08 2wgo s SER 59 Cb -0.21 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 2wgo s SER 59 CO -0.04 -0.67 -0.08 0.68 0.41 0.00 0.00 173.24 173.54 2wgo s VAL 60 N 2.98 0.84 -0.34 3.43 -7.23 0.15 0.33 120.40 120.56 2wgo s VAL 60 Ca 0.52 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 2wgo s VAL 60 Cb -0.21 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2wgo s VAL 60 CO 0.15 -0.80 0.91 -0.62 -0.31 0.00 0.00 175.10 174.44 2wgo s ASP 61 N -2.98 6.73 0.25 4.85 2.15 0.68 -0.68 116.67 127.67 2wgo s ASP 61 Ca 0.12 0.70 0.23 0.00 0.43 0.00 0.00 52.55 54.04 2wgo s ASP 61 Cb 0.03 -2.46 0.24 0.00 -0.30 0.00 0.00 42.92 40.43 2wgo s ASP 61 CO -0.03 -0.78 1.33 0.00 -0.17 0.00 0.00 175.17 175.51 2wgo h ALA 62 N 8.28 0.70 0.00 3.66 0.00 -1.69 -2.98 119.26 127.24 2wgo h ALA 62 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wgo h ALA 62 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wgo h ALA 62 CO 0.96 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2wgo n GLY 63 N 1.20 2.24 5.00 0.00 0.00 -1.25 -4.93 105.19 107.45 2wgo n GLY 63 Ca 0.02 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2wgo n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 64 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -2.56 116.55 114.26 2wgo n ASP 64 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2wgo n ASP 64 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 65 N 0.00 0.01 3.82 0.27 0.00 -1.26 -5.15 105.19 102.87 2wgo n GLY 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 4.02 -0.21 1.61 2.02 -1.06 -4.96 118.70 120.12 2wgo s GLU 66 Ca 0.00 1.17 -0.00 0.00 0.02 0.00 0.00 54.97 56.16 2wgo s GLU 66 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2wgo s GLU 66 CO 0.00 -0.22 -0.13 0.15 0.02 0.00 0.00 175.26 175.07 2wgo s LYS 67 N -3.36 2.94 -0.10 1.61 1.02 -1.26 -1.84 119.74 118.75 2wgo s LYS 67 Ca 0.63 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.75 2wgo s LYS 67 Cb -0.12 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2wgo s LYS 67 CO 0.19 -0.29 -0.13 0.00 -0.92 0.00 0.00 175.35 174.20 2wgo s LYS 69 N -0.08 2.85 -0.50 0.00 2.20 -0.78 0.32 119.74 123.75 2wgo s LYS 69 Ca -0.02 -1.17 -0.27 0.00 -0.36 0.00 0.00 55.97 54.15 2wgo s LYS 69 Cb -0.14 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2wgo s LYS 69 CO 0.04 -0.81 1.90 -0.06 -0.36 0.00 0.00 175.35 176.06 2wgo s PHE 70 N 1.58 1.65 -0.46 4.03 0.08 0.18 -3.68 117.98 121.37 2wgo s PHE 70 Ca 0.03 0.81 -0.23 0.00 0.12 0.00 0.00 56.93 57.66 2wgo s PHE 70 Cb -0.21 -4.05 0.03 0.00 -0.57 0.00 0.00 43.02 38.22 2wgo s PHE 70 CO 0.07 -2.56 0.80 0.21 -0.10 0.00 0.00 175.22 173.64 2wgo s LYS 71 N 6.67 3.39 -0.12 0.44 2.20 -0.58 -0.94 119.74 130.80 2wgo s LYS 71 Ca 0.75 -0.14 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 2wgo s LYS 71 Cb -0.17 -3.96 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 2wgo s LYS 71 CO 0.26 -1.16 -0.17 0.42 -0.36 0.00 0.00 175.35 174.34 2wgo s ILE 72 N 3.34 1.68 -0.55 5.43 1.01 -0.49 -1.54 121.20 130.08 2wgo s ILE 72 Ca 0.30 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 2wgo s ILE 72 Cb -0.12 -1.52 -0.18 0.00 0.01 0.00 0.00 42.46 40.65 2wgo s ILE 72 CO 0.22 0.48 3.34 -1.14 0.00 0.00 0.00 174.94 177.84 2wgo n ARG 73 N 4.21 2.61 -3.97 2.79 0.63 -1.26 0.99 116.66 122.66 2wgo n ARG 73 Ca -0.19 -1.52 -0.30 0.00 -0.92 0.00 0.00 57.85 54.92 2wgo n ARG 73 Cb 0.51 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.16 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 2.69 -4.42 -2.29 -0.14 5.02 -1.11 -2.89 118.16 115.01 2wgo n LYS 74 Ca 0.55 0.51 -0.16 0.00 -2.02 0.00 0.00 58.31 57.18 2wgo n LYS 74 Cb 0.67 -5.17 -0.02 0.00 -0.02 0.00 0.00 35.03 30.50 2wgo n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wgo n ASP 75 N -2.85 -4.76 -4.67 4.39 9.92 -1.26 -4.43 116.55 112.89 2wgo n ASP 75 Ca -0.06 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.91 2wgo n ASP 75 Cb 0.57 -4.04 -0.02 0.00 -0.64 0.00 0.00 41.12 36.99 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2wgo s VAL 76 N -2.75 4.46 0.00 2.53 -7.23 -1.14 -0.84 120.40 115.43 2wgo s VAL 76 Ca 0.00 1.77 0.00 0.00 -1.81 0.00 0.00 61.98 61.94 2wgo s VAL 76 Cb 0.00 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2wgo s VAL 76 CO 0.00 -0.09 0.00 -0.67 -0.31 0.00 0.00 175.10 174.03 2wgo n ASP 77 N 5.95 0.00 -4.77 4.85 2.03 -1.26 -4.57 116.55 118.78 2wgo n ASP 77 Ca 0.12 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.03 2wgo n ASP 77 Cb 0.46 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 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 4.29 -1.04 5.18 0.11 -1.26 0.10 120.40 127.79 2wgo s VAL 78 Ca 0.00 1.82 -0.22 0.00 -2.93 0.00 0.00 61.98 60.65 2wgo s VAL 78 Cb 0.00 -4.20 0.06 0.00 -1.53 0.00 0.00 36.38 30.71 2wgo s VAL 78 CO 0.00 0.51 1.46 -2.16 -3.33 0.00 0.00 175.10 171.57 2wgo s PRO 79 N -1.10 3.62 -0.00 1.54 0.04 -1.12 -1.43 135.00 136.54 2wgo s PRO 79 Ca 0.38 -1.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.08 2wgo s PRO 79 Cb -0.24 -5.35 0.04 0.00 0.04 0.00 0.00 34.50 28.99 2wgo s PRO 79 CO 0.28 -2.19 0.50 1.63 0.04 0.00 0.00 177.00 177.26 2wgo n LYS 80 N 8.73 0.09 -3.94 4.56 5.02 -1.26 -4.87 118.16 126.48 2wgo n LYS 80 Ca 0.34 -0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 2wgo n LYS 80 Cb 0.50 0.53 -0.05 0.00 -0.02 0.00 0.00 35.03 36.00 2wgo n LYS 80 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wgo s MET 81 N -2.01 3.35 0.00 1.97 -1.94 -1.26 -4.73 119.30 114.68 2wgo s MET 81 Ca 0.12 -0.45 0.21 0.00 -1.71 0.00 0.00 55.69 53.85 2wgo s MET 81 Cb -0.00 -3.00 0.75 0.00 2.01 0.00 0.00 34.83 34.58 2wgo s MET 81 CO -0.00 0.62 1.55 1.55 -0.01 0.00 0.00 175.02 178.72 2wgo n VAL 82 N 0.49 0.21 0.00 -6.03 3.14 -1.04 -4.87 118.33 110.23 2wgo n VAL 82 Ca -0.07 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 2wgo n VAL 82 Cb 0.51 0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.65 2wgo n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wgo n GLY 83 N 1.12 2.38 3.37 7.55 0.00 -0.59 -4.94 105.19 114.09 2wgo n GLY 83 Ca 0.16 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.62 3.04 -0.05 1.61 3.52 -1.26 -1.53 118.95 123.65 2wgo s ARG 84 Ca 0.00 -1.32 0.04 0.00 -0.13 0.00 0.00 55.73 54.32 2wgo s ARG 84 Cb 0.00 -4.25 -0.00 0.00 -1.56 0.00 0.00 34.95 29.14 2wgo s ARG 84 CO 0.00 -1.47 -0.18 0.21 -0.81 0.00 0.00 175.30 173.05 2wgo s LYS 85 N 2.53 1.94 -0.22 5.12 2.47 -1.24 -5.01 119.74 125.33 2wgo s LYS 85 Ca 0.11 -0.64 -0.17 0.00 -1.56 0.00 0.00 55.97 53.71 2wgo s LYS 85 Cb -0.24 -1.66 -0.04 0.00 -1.46 0.00 0.00 37.83 34.43 2wgo s LYS 85 CO 0.06 0.24 0.44 0.00 0.16 0.00 0.00 175.35 176.25 2wgo n ARG 87 N 4.82 2.98 -1.63 0.00 0.63 -0.80 -4.66 116.66 117.99 2wgo n ARG 87 Ca -0.07 -3.72 -0.43 0.00 -0.92 0.00 0.00 57.85 52.71 2wgo n ARG 87 Cb 0.51 -2.18 -0.03 0.00 0.45 0.00 0.00 32.46 31.20 2wgo n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2wgo n LYS 88 N -0.86 2.47 0.00 -0.14 0.00 -0.92 -3.01 118.16 115.70 2wgo n LYS 88 Ca 0.47 0.82 0.00 0.00 0.00 0.00 0.00 58.31 59.60 2wgo n LYS 88 Cb 0.90 -3.12 0.00 0.00 0.00 0.00 0.00 35.03 32.81 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wgo n ASP 89 N 9.44 0.00 -3.50 3.14 2.03 -1.26 -4.76 116.55 121.64 2wgo n ASP 89 Ca 0.25 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.42 2wgo n ASP 89 Cb 0.43 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 90 N -2.56 -0.55 0.00 1.67 2.15 -1.16 -5.11 116.67 111.10 2wgo s ASP 90 Ca 0.00 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2wgo s ASP 90 Cb 0.00 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2wgo s ASP 90 CO 0.00 -0.67 0.00 -0.67 -0.17 0.00 0.00 175.17 173.66 2wgo n ASP 91 N 0.36 0.00 -3.98 -0.34 2.03 -1.26 -4.81 116.55 108.55 2wgo n ASP 91 Ca -0.16 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.95 2wgo n ASP 91 Cb 0.60 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.84 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 92 N 1.61 1.15 -0.15 1.67 2.15 -1.26 -5.08 116.67 116.76 2wgo s ASP 92 Ca 0.00 -0.18 -0.10 0.00 0.43 0.00 0.00 52.55 52.70 2wgo s ASP 92 Cb 0.00 -0.35 -0.05 0.00 -0.30 0.00 0.00 42.92 42.21 2wgo s ASP 92 CO 0.00 0.04 -0.10 -0.78 -0.17 0.00 0.00 175.17 174.16 2wgo h ASP 93 N 6.52 0.00 -0.18 -0.34 3.58 -2.03 -3.41 116.42 120.56 2wgo h ASP 93 Ca -0.34 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.09 2wgo h ASP 93 Cb 1.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.17 2wgo h ASP 93 CO 0.49 0.84 -0.15 -0.78 -2.88 0.00 0.00 179.24 176.75 2wgo h ASP 94 N -1.00 -0.49 0.00 2.28 3.58 -2.09 -3.47 116.42 115.23 2wgo h ASP 94 Ca -0.05 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2wgo h ASP 94 Cb 0.58 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2wgo h ASP 94 CO -0.03 -0.20 0.00 0.61 -2.88 0.00 0.00 179.24 176.75 2wgo n GLY 95 N -1.31 3.54 0.00 -0.78 0.00 -1.26 -5.24 105.19 100.14 2wgo n GLY 95 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60