#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 -0.32 1.61 2.88 0.10 -4.68 113.62 113.21 2wgo n SER 0 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2wgo n SER 0 Cb 0.00 -0.30 -0.02 0.00 -0.75 0.00 0.00 64.21 63.14 2wgo n SER 0 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wgo n LEU 1 N -2.13 0.40 -0.31 2.46 7.99 -1.26 -4.82 117.00 119.34 2wgo n LEU 1 Ca 0.00 0.10 0.13 0.00 -0.01 0.00 0.00 56.01 56.24 2wgo n LEU 1 Cb 0.00 -2.38 0.41 0.00 -0.11 0.00 0.00 43.42 41.34 2wgo n LEU 1 CO 0.00 -0.92 0.71 0.00 -1.51 0.00 0.00 177.39 175.66 2wgo n ILE 2 N -2.17 0.00 -2.68 -0.08 0.13 -1.26 -4.45 119.36 108.84 2wgo n ILE 2 Ca -0.04 -0.16 -0.05 0.00 -1.10 0.00 0.00 62.75 61.40 2wgo n ILE 2 Cb 0.49 0.43 0.06 0.00 -0.84 0.00 0.00 39.64 39.78 2wgo n ILE 2 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 2wgo n LEU 3 N -0.43 -1.60 -4.48 9.51 7.94 -1.26 -4.72 117.00 121.95 2wgo n LEU 3 Ca 0.14 -1.88 -0.44 0.00 -1.11 0.00 0.00 56.01 52.72 2wgo n LEU 3 Cb 0.35 0.60 -0.09 0.00 0.53 0.00 0.00 43.42 44.81 2wgo n LEU 3 CO 0.23 1.58 2.02 0.47 -1.11 0.00 0.00 177.39 180.58 2wgo n ASP 4 N 1.76 1.40 -1.72 1.96 8.00 -1.26 -0.61 116.55 126.08 2wgo n ASP 4 Ca 0.05 0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 2wgo n ASP 4 Cb 0.68 -1.20 0.01 0.00 -0.02 0.00 0.00 41.12 40.59 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgo n GLY 5 N 6.46 -0.12 3.05 0.44 0.00 0.44 -4.12 105.19 111.33 2wgo n GLY 5 Ca 0.50 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.70 -7.40 -1.98 1.61 2.03 0.22 -4.89 116.55 105.45 2wgo n ASP 6 Ca -0.11 0.19 -0.24 0.00 0.52 0.00 0.00 54.79 55.14 2wgo n ASP 6 Cb 0.60 -4.64 0.07 0.00 -0.72 0.00 0.00 41.12 36.43 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 7 N -0.81 5.71 -4.56 -2.67 4.77 -1.26 -5.01 117.00 113.17 2wgo n LEU 7 Ca 0.03 -4.43 -0.39 0.00 -0.03 0.00 0.00 56.01 51.19 2wgo n LEU 7 Cb 0.52 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2wgo n LEU 7 CO 0.51 1.76 1.53 -0.22 -1.33 0.00 0.00 177.39 179.64 2wgo s LEU 8 N -3.61 3.30 -0.19 2.23 2.96 -1.26 -4.71 118.68 117.40 2wgo s LEU 8 Ca 0.54 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2wgo s LEU 8 Cb 0.44 -2.64 -0.12 0.00 0.50 0.00 0.00 46.19 44.38 2wgo s LEU 8 CO 0.02 -2.23 -0.18 0.29 -1.32 0.00 0.00 176.35 172.93 2wgo n LYS 9 N 9.12 0.46 -3.90 1.98 5.02 -1.26 -4.90 118.16 124.68 2wgo n LYS 9 Ca 0.18 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.29 2wgo n LYS 9 Cb 0.51 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgo s ASP 10 N -5.96 4.35 0.00 4.39 1.11 -1.26 -5.01 116.67 114.29 2wgo s ASP 10 Ca -0.26 -1.80 0.00 0.00 0.18 0.00 0.00 52.55 50.67 2wgo s ASP 10 Cb 0.07 -1.27 0.00 0.00 1.07 0.00 0.00 42.92 42.79 2wgo s ASP 10 CO 0.42 -0.37 0.00 2.29 1.18 0.00 0.00 175.17 178.69 2wgo n LYS 11 N 4.54 0.00 -3.70 8.23 2.85 -1.26 -5.08 118.16 123.74 2wgo n LYS 11 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 2wgo n LYS 11 Cb 0.42 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.68 2wgo n LYS 11 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2wgo s LEU 12 N -2.42 0.07 -0.01 -5.58 2.96 -1.26 -4.97 118.68 107.46 2wgo s LEU 12 Ca 0.00 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2wgo s LEU 12 Cb 0.00 0.81 0.03 0.00 0.50 0.00 0.00 46.19 47.53 2wgo s LEU 12 CO 0.00 -0.20 0.96 1.17 -1.32 0.00 0.00 176.35 176.97 2wgo n LYS 13 N 4.67 2.44 -4.28 1.98 3.00 -1.26 -5.06 118.16 119.66 2wgo n LYS 13 Ca -0.18 -1.50 -0.26 0.00 -0.00 0.00 0.00 58.31 56.36 2wgo n LYS 13 Cb 0.52 -0.99 -0.08 0.00 0.00 0.00 0.00 35.03 34.48 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wgo s LEU 14 N -1.08 2.94 0.00 3.14 1.43 -1.26 -5.15 118.68 118.70 2wgo s LEU 14 Ca 0.04 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2wgo s LEU 14 Cb 0.03 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 45.02 2wgo s LEU 14 CO 0.00 -0.61 0.00 -2.65 0.23 0.00 0.00 176.35 173.32 2wgo n PRO 15 N -1.23 1.30 -1.66 1.29 -0.02 -1.26 -4.86 135.00 128.55 2wgo n PRO 15 Ca -0.04 0.00 -0.53 0.00 -2.02 0.00 0.00 63.50 60.91 2wgo n PRO 15 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.07 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 -0.67 0.21 -2.02 -1.45 3.14 -1.26 -4.93 118.33 111.35 2wgo n VAL 16 Ca 0.00 -0.04 -0.34 0.00 -2.96 0.00 0.00 64.34 61.00 2wgo n VAL 16 Cb 0.00 -1.21 0.02 0.00 -1.06 0.00 0.00 33.84 31.59 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 2.30 3.14 0.36 1.55 1.01 0.14 -4.91 121.20 124.79 2wgo s ILE 17 Ca 0.91 0.63 -0.28 0.00 0.00 0.00 0.00 60.65 61.90 2wgo s ILE 17 Cb -0.94 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 2wgo s ILE 17 CO 0.54 -0.23 1.48 -0.67 0.00 0.00 0.00 174.94 176.07 2wgo n ASP 18 N -1.80 3.71 0.28 3.58 2.03 -1.26 -3.61 116.55 119.47 2wgo n ASP 18 Ca 0.11 1.22 0.13 0.00 0.52 0.00 0.00 54.79 56.77 2wgo n ASP 18 Cb 0.51 -1.60 0.80 0.00 -0.72 0.00 0.00 41.12 40.11 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2wgo h ASN 19 N 3.14 0.00 -0.54 1.67 -1.07 -1.93 -0.61 115.58 116.24 2wgo h ASN 19 Ca -0.50 0.00 0.05 0.00 0.07 0.00 0.00 56.30 55.92 2wgo h ASN 19 Cb 1.24 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.45 2wgo h ASN 19 CO 0.66 0.05 0.27 0.25 0.07 0.00 0.00 177.43 178.72 2wgo h LEU 20 N 0.00 0.37 -0.97 6.14 6.46 -1.98 0.39 115.31 125.72 2wgo h LEU 20 Ca -0.00 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 2wgo h LEU 20 Cb 0.12 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 2wgo h LEU 20 CO 0.01 0.25 0.26 0.15 -0.62 0.00 0.00 178.44 178.48 2wgo h PHE 21 N 0.51 1.01 -0.30 1.25 3.57 -1.46 0.16 116.94 121.68 2wgo h PHE 21 Ca 0.24 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 2wgo h PHE 21 Cb 0.17 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2wgo h PHE 21 CO -0.11 0.78 -0.37 0.78 -2.23 0.00 0.00 178.31 177.16 2wgo h GLY 22 N 1.06 0.76 1.89 2.40 0.00 -1.22 -1.19 103.07 106.76 2wgo h GLY 22 Ca 0.23 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 2wgo h GLY 22 CO -0.02 0.68 -0.16 0.50 0.00 0.00 0.00 176.54 177.54 2wgo h LYS 23 N 0.58 0.14 -0.11 4.80 1.79 0.69 0.11 116.57 124.57 2wgo h LYS 23 Ca 0.05 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2wgo h LYS 23 Cb 0.90 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2wgo h LYS 23 CO 0.08 0.31 -0.09 0.93 -1.08 0.00 0.00 179.45 179.60 2wgo h GLU 24 N 0.14 0.26 0.11 3.15 4.39 -0.37 0.60 114.58 122.86 2wgo h GLU 24 Ca 0.03 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2wgo h GLU 24 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2wgo h GLU 24 CO 0.02 0.65 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.21 2wgo h LEU 25 N -0.12 -0.69 -2.00 1.33 3.38 -0.73 0.33 115.31 116.80 2wgo h LEU 25 Ca 0.02 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.21 2wgo h LEU 25 Cb 0.59 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2wgo h LEU 25 CO 0.02 -0.27 0.44 -0.07 0.09 0.00 0.00 178.44 178.66 2wgo h LEU 26 N -0.38 0.00 -0.12 1.67 3.38 -0.86 0.46 115.31 119.46 2wgo h LEU 26 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 2wgo h LEU 26 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2wgo h LEU 26 CO -0.10 0.00 -0.80 -0.78 0.09 0.00 0.00 178.44 176.85 2wgo h ASP 27 N 0.00 0.92 0.52 -0.43 3.58 -0.27 0.23 116.42 120.96 2wgo h ASP 27 Ca 0.24 -0.65 -0.28 0.00 0.42 0.00 0.00 57.03 56.77 2wgo h ASP 27 Cb 1.13 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2wgo h ASP 27 CO -0.00 1.42 -1.23 0.11 -2.88 0.00 0.00 179.24 176.66 2wgo h LYS 28 N 0.48 0.34 -0.23 0.28 1.57 0.91 -3.19 116.57 116.73 2wgo h LYS 28 Ca -0.06 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2wgo h LYS 28 Cb 1.44 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.94 2wgo h LYS 28 CO 0.16 1.24 0.00 1.19 -0.57 0.00 0.00 179.45 181.47 2wgo n PHE 29 N -3.60 0.29 -0.31 -1.35 3.72 0.14 -4.22 117.46 112.14 2wgo n PHE 29 Ca -0.09 -0.15 0.08 0.00 -0.05 0.00 0.00 57.45 57.24 2wgo n PHE 29 Cb 1.00 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.78 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 2.72 0.68 -0.77 -1.08 4.15 -0.93 0.25 115.11 120.14 2wgo h GLN 30 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2wgo h GLN 30 Cb 0.60 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 2wgo h GLN 30 CO 0.00 0.45 0.31 0.22 -1.93 0.00 0.00 178.83 177.88 2wgo h ASP 31 N 0.70 1.05 0.26 -0.69 1.82 -1.81 0.22 116.42 117.97 2wgo h ASP 31 Ca 0.48 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 2wgo h ASP 31 Cb 0.65 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2wgo h ASP 31 CO -0.34 0.93 -0.13 0.44 -1.61 0.00 0.00 179.24 178.53 2wgo h ASP 32 N 1.12 -0.30 -0.71 2.28 5.19 -1.35 0.14 116.42 122.80 2wgo h ASP 32 Ca 0.26 -0.21 0.11 0.00 -0.62 0.00 0.00 57.03 56.56 2wgo h ASP 32 Cb 0.21 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 2wgo h ASP 32 CO -0.02 0.09 0.47 0.40 -3.12 0.00 0.00 179.24 177.06 2wgo h ILE 33 N -0.73 0.90 0.17 0.35 2.04 -0.40 0.49 117.51 120.34 2wgo h ILE 33 Ca -0.04 -0.19 -0.31 0.00 1.00 0.00 0.00 64.86 65.32 2wgo h ILE 33 Cb 0.49 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2wgo h ILE 33 CO 0.06 0.10 -1.45 0.50 0.00 0.00 0.00 178.15 177.35 2wgo h LYS 34 N 0.55 0.37 0.30 2.37 3.11 -0.53 -0.37 116.57 122.36 2wgo h LYS 34 Ca 0.33 -0.62 -0.01 0.00 -2.81 0.00 0.00 60.65 57.53 2wgo h LYS 34 Cb 0.56 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2wgo h LYS 34 CO -0.11 1.27 -0.14 0.22 -2.81 0.00 0.00 179.45 177.88 2wgo h ASP 35 N 0.10 -0.34 0.29 4.20 3.58 0.35 -0.39 116.42 124.22 2wgo h ASP 35 Ca -0.23 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 2wgo h ASP 35 Cb 2.06 0.09 0.00 0.00 1.72 0.00 0.00 39.33 43.20 2wgo h ASP 35 CO 0.21 -0.10 -0.14 0.11 -2.88 0.00 0.00 179.24 176.44 2wgo h LYS 36 N -0.58 -0.38 0.00 0.28 1.57 -0.16 -3.40 116.57 113.91 2wgo h LYS 36 Ca -0.04 0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2wgo h LYS 36 Cb 0.42 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2wgo h LYS 36 CO 0.07 -0.04 -2.11 0.66 -0.57 0.00 0.00 179.45 177.46 2wgo n TYR 37 N -5.08 0.00 -0.73 -1.35 4.01 -0.31 -5.05 117.16 108.65 2wgo n TYR 37 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2wgo n TYR 37 Cb 0.27 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 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 2.40 0.67 3.31 2.72 0.00 -0.15 -4.97 105.19 109.17 2wgo n GLY 38 Ca -0.32 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.49 1.70 -0.25 1.61 1.01 -1.21 -4.93 120.40 115.84 2wgo s VAL 39 Ca 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.02 2wgo s VAL 39 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2wgo s VAL 39 CO 0.00 -0.35 0.08 -0.62 0.00 0.00 0.00 175.10 174.21 2wgo s ASP 40 N -2.64 5.23 0.03 3.32 -1.08 -1.26 -4.22 116.67 116.05 2wgo s ASP 40 Ca 0.14 -0.20 0.27 0.00 -0.52 0.00 0.00 52.55 52.24 2wgo s ASP 40 Cb -0.05 -1.94 0.82 0.00 -1.46 0.00 0.00 42.92 40.29 2wgo s ASP 40 CO 0.06 -0.04 1.65 0.35 0.52 0.00 0.00 175.17 177.71 2wgo n THR 41 N 4.94 0.10 0.03 1.71 -2.24 -1.26 -3.44 114.28 114.12 2wgo n THR 41 Ca -0.16 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2wgo n THR 41 Cb 0.51 -0.19 0.08 0.00 -2.10 0.00 0.00 70.33 68.64 2wgo n THR 41 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wgo h LYS 42 N 0.00 0.45 -0.01 -0.78 3.64 -1.93 -3.05 116.57 114.89 2wgo h LYS 42 Ca 0.00 -0.29 -0.21 0.00 -1.27 0.00 0.00 60.65 58.89 2wgo h LYS 42 Cb 0.55 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2wgo h LYS 42 CO 0.00 0.88 -0.87 0.22 -2.27 0.00 0.00 179.45 177.41 2wgo h ASP 43 N 0.35 0.42 -1.61 4.20 1.82 -1.99 -3.46 116.42 116.14 2wgo h ASP 43 Ca 0.01 -0.33 -0.72 0.00 -0.39 0.00 0.00 57.03 55.60 2wgo h ASP 43 Cb 1.07 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.97 2wgo h ASP 43 CO 0.10 1.11 0.93 0.18 -1.61 0.00 0.00 179.24 179.95 2wgo n LEU 44 N -3.73 2.55 -4.45 2.28 4.77 -1.15 -4.89 117.00 112.37 2wgo n LEU 44 Ca -0.05 1.06 -0.44 0.00 -0.03 0.00 0.00 56.01 56.55 2wgo n LEU 44 Cb 0.80 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2wgo n LEU 44 CO 0.49 -0.37 0.47 -0.75 -1.33 0.00 0.00 177.39 175.90 2wgo s LYS 45 N 3.63 3.15 0.04 3.23 2.20 -1.02 -4.93 119.74 126.03 2wgo s LYS 45 Ca 0.98 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 2wgo s LYS 45 Cb -1.02 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 31.13 2wgo s LYS 45 CO 0.64 -1.39 1.05 0.42 -0.36 0.00 0.00 175.35 175.71 2wgo s ILE 46 N 3.03 4.54 -0.27 5.43 1.01 -1.26 0.62 121.20 134.30 2wgo s ILE 46 Ca 0.18 1.87 -0.07 0.00 0.00 0.00 0.00 60.65 62.62 2wgo s ILE 46 Cb -0.19 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.95 2wgo s ILE 46 CO 0.12 0.17 -0.31 0.18 0.00 0.00 0.00 174.94 175.10 2wgo n LEU 47 N 3.72 2.38 -3.38 2.97 4.77 0.20 -4.92 117.00 122.75 2wgo n LEU 47 Ca 0.06 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 2wgo n LEU 47 Cb 0.49 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 2wgo n LEU 47 CO 0.53 0.73 -0.05 -0.75 -1.33 0.00 0.00 177.39 176.52 2wgo s LYS 48 N -2.51 0.34 -0.23 3.23 2.20 -0.86 -5.00 119.74 116.91 2wgo s LYS 48 Ca -0.37 0.57 -0.20 0.00 -0.36 0.00 0.00 55.97 55.61 2wgo s LYS 48 Cb 0.13 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.00 2wgo s LYS 48 CO 0.54 -0.61 0.60 0.99 -0.36 0.00 0.00 175.35 176.51 2wgo s THR 49 N 2.55 5.02 0.00 3.43 2.01 -1.24 -0.22 115.64 127.19 2wgo s THR 49 Ca 0.12 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.22 2wgo s THR 49 Cb -0.15 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2wgo s THR 49 CO -0.15 0.08 0.00 -1.20 -0.69 0.00 0.00 174.62 172.65 2wgo n SER 50 N 5.38 0.00 -3.71 3.53 7.64 -0.13 0.25 113.62 126.59 2wgo n SER 50 Ca -0.02 -0.77 -0.02 0.00 1.01 0.00 0.00 58.87 59.08 2wgo n SER 50 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2wgo s GLU 51 N -1.30 0.90 0.00 1.43 4.04 -1.26 -0.26 118.70 122.25 2wgo s GLU 51 Ca 0.00 -0.50 0.00 0.00 0.04 0.00 0.00 54.97 54.51 2wgo s GLU 51 Cb 0.00 0.31 0.00 0.00 0.02 0.00 0.00 34.13 34.46 2wgo s GLU 51 CO 0.00 -0.41 0.00 -0.25 -1.84 0.00 0.00 175.26 172.76 2wgo n ASP 52 N -0.48 0.00 0.00 0.83 8.00 -0.98 -4.87 116.55 119.05 2wgo n ASP 52 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2wgo n ASP 52 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wgo n LYS 53 N -0.96 0.00 -0.61 -1.24 4.76 -1.26 -4.90 118.16 113.94 2wgo n LYS 53 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wgo n LYS 53 Cb 0.00 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.38 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wgo n ARG 54 N -0.15 2.71 -3.79 1.97 1.74 -1.26 -4.82 116.66 113.06 2wgo n ARG 54 Ca 0.00 -1.85 -0.13 0.00 -0.77 0.00 0.00 57.85 55.11 2wgo n ARG 54 Cb 0.00 -1.86 -0.10 0.00 -1.02 0.00 0.00 32.46 29.48 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 -2.02 -0.19 0.23 -1.55 0.40 -1.26 -0.77 117.98 112.81 2wgo s PHE 55 Ca 0.33 0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 57.04 2wgo s PHE 55 Cb 0.26 0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.81 2wgo s PHE 55 CO 0.08 -0.23 0.48 0.71 0.70 0.00 0.00 175.22 176.96 2wgo s TYR 56 N -0.55 3.47 -0.30 0.36 2.02 0.19 -2.30 117.35 120.24 2wgo s TYR 56 Ca -0.06 0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 57.19 2wgo s TYR 56 Cb -0.04 -2.05 0.10 0.00 -0.40 0.00 0.00 41.96 39.57 2wgo s TYR 56 CO 0.02 0.29 0.13 0.71 -1.57 0.00 0.00 175.55 175.13 2wgo s TYR 57 N -1.90 0.51 -0.50 2.71 2.02 0.64 -1.22 117.35 119.60 2wgo s TYR 57 Ca 0.43 -1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2wgo s TYR 57 Cb -0.11 -0.99 0.13 0.00 -0.40 0.00 0.00 41.96 40.59 2wgo s TYR 57 CO 0.27 -0.83 0.34 0.08 -1.57 0.00 0.00 175.55 173.84 2wgo s VAL 58 N 1.96 3.93 -0.02 0.71 1.01 -0.02 -0.96 120.40 127.01 2wgo s VAL 58 Ca 0.10 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 2wgo s VAL 58 Cb -0.17 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2wgo s VAL 58 CO -0.32 -0.78 1.64 -0.44 0.00 0.00 0.00 175.10 175.19 2wgo s SER 59 N 2.08 6.67 0.05 3.32 0.01 0.69 0.07 113.70 126.59 2wgo s SER 59 Ca 0.09 2.29 0.02 0.00 1.31 0.00 0.00 55.95 59.66 2wgo s SER 59 Cb -0.23 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 2wgo s SER 59 CO -0.03 -0.90 -0.06 0.68 0.41 0.00 0.00 173.24 173.34 2wgo s VAL 60 N 3.56 0.46 -0.34 3.43 -7.23 0.17 0.62 120.40 121.07 2wgo s VAL 60 Ca 0.73 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2wgo s VAL 60 Cb -0.35 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 35.86 2wgo s VAL 60 CO 0.30 -0.51 0.73 -0.62 -0.31 0.00 0.00 175.10 174.69 2wgo s ASP 61 N -1.83 6.54 0.00 4.85 -1.08 0.20 -0.97 116.67 124.38 2wgo s ASP 61 Ca -0.07 0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.61 2wgo s ASP 61 Cb -0.07 -2.37 1.51 0.00 -1.46 0.00 0.00 42.92 40.53 2wgo s ASP 61 CO -0.01 -0.64 1.94 0.00 0.52 0.00 0.00 175.17 176.98 2wgo n ALA 62 N 6.20 2.44 0.00 3.66 0.00 0.15 -2.43 120.51 130.53 2wgo n ALA 62 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2wgo n ALA 62 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.79 2.92 0.34 0.00 0.00 -1.26 -4.76 105.19 103.22 2wgo n GLY 63 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 1.17 0.00 1.61 2.03 -1.26 -4.88 116.55 115.21 2wgo n ASP 64 Ca 0.00 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2wgo n ASP 64 Cb 0.00 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 65 N 1.22 1.80 3.82 0.27 0.00 -1.26 -5.06 105.19 105.99 2wgo n GLY 65 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2wgo n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wgo s GLU 66 N -0.97 4.08 -0.69 1.61 2.56 -1.26 -4.95 118.70 119.09 2wgo s GLU 66 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.58 2wgo s GLU 66 Cb 0.00 -3.19 0.17 0.00 2.00 0.00 0.00 34.13 33.11 2wgo s GLU 66 CO 0.00 0.63 0.50 0.15 -0.56 0.00 0.00 175.26 175.98 2wgo s LYS 67 N -1.22 2.61 0.10 4.30 1.02 -1.26 -0.68 119.74 124.61 2wgo s LYS 67 Ca 0.29 -2.91 -0.17 0.00 0.02 0.00 0.00 55.97 53.20 2wgo s LYS 67 Cb -0.18 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.42 2wgo s LYS 67 CO 0.17 -1.21 0.55 0.00 -0.92 0.00 0.00 175.35 173.95 2wgo s LYS 69 N -1.47 3.51 -0.17 0.00 2.20 0.12 0.43 119.74 124.35 2wgo s LYS 69 Ca 0.32 -2.64 -0.39 0.00 -0.36 0.00 0.00 55.97 52.90 2wgo s LYS 69 Cb -0.17 -4.31 -0.16 0.00 -1.51 0.00 0.00 37.83 31.68 2wgo s LYS 69 CO 0.19 -1.26 1.62 1.19 -0.36 0.00 0.00 175.35 176.73 2wgo n PHE 70 N 3.60 1.88 -3.48 4.03 3.72 0.11 0.87 117.46 128.20 2wgo n PHE 70 Ca 0.15 0.58 -0.43 0.00 -0.05 0.00 0.00 57.45 57.70 2wgo n PHE 70 Cb 0.44 -2.42 -0.04 0.00 -0.94 0.00 0.00 39.48 36.52 2wgo n PHE 70 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2wgo s LYS 71 N 2.64 3.36 -0.95 -1.08 2.20 -0.81 -0.84 119.74 124.24 2wgo s LYS 71 Ca 0.94 -2.68 -0.20 0.00 -0.36 0.00 0.00 55.97 53.67 2wgo s LYS 71 Cb -1.04 -4.20 0.11 0.00 -1.51 0.00 0.00 37.83 31.19 2wgo s LYS 71 CO 0.60 -1.25 1.21 0.42 -0.36 0.00 0.00 175.35 175.97 2wgo s ILE 72 N -0.27 4.53 -0.24 5.43 1.01 -0.36 -1.75 121.20 129.55 2wgo s ILE 72 Ca 0.20 -1.38 -0.35 0.00 0.00 0.00 0.00 60.65 59.12 2wgo s ILE 72 Cb -0.13 -4.85 -0.11 0.00 0.01 0.00 0.00 42.46 37.38 2wgo s ILE 72 CO -0.08 -1.62 2.02 -1.14 0.00 0.00 0.00 174.94 174.13 2wgo n ARG 73 N 7.12 1.56 -0.51 2.79 0.63 -1.26 0.53 116.66 127.53 2wgo n ARG 73 Ca 0.26 0.51 -0.28 0.00 -0.92 0.00 0.00 57.85 57.42 2wgo n ARG 73 Cb 0.50 -2.55 0.26 0.00 0.45 0.00 0.00 32.46 31.11 2wgo n ARG 73 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2wgo s LYS 74 N 5.12 -1.22 0.00 -0.14 1.02 0.05 -4.29 119.74 120.28 2wgo s LYS 74 Ca 1.01 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.78 2wgo s LYS 74 Cb -0.78 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2wgo s LYS 74 CO 0.51 -3.91 0.81 -3.47 -0.92 0.00 0.00 175.35 168.37 2wgo n ASP 75 N -5.04 2.33 0.00 2.83 2.03 -1.25 -3.95 116.55 113.50 2wgo n ASP 75 Ca 0.03 -1.46 0.12 0.00 0.52 0.00 0.00 54.79 54.00 2wgo n ASP 75 Cb 0.55 -0.42 0.60 0.00 -0.72 0.00 0.00 41.12 41.12 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2wgo n VAL 76 N 0.90 0.23 0.01 5.18 0.24 -1.11 -0.42 118.33 123.36 2wgo n VAL 76 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2wgo n VAL 76 Cb 0.33 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wgo n ASP 77 N -1.37 -0.20 -4.69 -1.34 -0.08 -1.25 -3.99 116.55 103.63 2wgo n ASP 77 Ca 0.10 0.08 -0.31 0.00 -1.51 0.00 0.00 54.79 53.15 2wgo n ASP 77 Cb 0.23 0.40 -0.08 0.00 2.34 0.00 0.00 41.12 44.01 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 78 N -2.00 4.05 -0.31 5.18 -7.23 -1.26 -5.02 120.40 113.81 2wgo s VAL 78 Ca 0.00 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2wgo s VAL 78 Cb 0.00 -2.91 0.24 0.00 0.56 0.00 0.00 36.38 34.28 2wgo s VAL 78 CO 0.00 0.16 1.21 -0.81 -0.31 0.00 0.00 175.10 175.36 2wgo n PRO 79 N 0.71 1.66 -3.47 4.82 -0.04 -1.26 -3.83 135.00 133.59 2wgo n PRO 79 Ca -0.11 -1.04 -0.08 0.00 -0.04 0.00 0.00 63.50 62.23 2wgo n PRO 79 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2wgo n PRO 79 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wgo n LYS 80 N 0.01 0.99 -2.91 0.54 2.85 -1.26 0.02 118.16 118.39 2wgo n LYS 80 Ca 0.18 -2.00 -0.40 0.00 -1.05 0.00 0.00 58.31 55.03 2wgo n LYS 80 Cb 0.82 2.46 -0.04 0.00 -0.65 0.00 0.00 35.03 37.62 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wgo s MET 81 N -2.11 4.52 0.03 -1.58 0.00 -1.26 -4.36 119.30 114.54 2wgo s MET 81 Ca 0.15 1.14 -0.13 0.00 0.00 0.00 0.00 55.69 56.85 2wgo s MET 81 Cb -0.04 -3.41 -0.34 0.00 0.00 0.00 0.00 34.83 31.04 2wgo s MET 81 CO 0.11 0.15 1.00 -0.24 0.00 0.00 0.00 175.02 176.04 2wgo h VAL 82 N 4.42 1.30 0.00 5.16 3.04 -1.78 -3.45 116.25 124.94 2wgo h VAL 82 Ca -0.42 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.50 2wgo h VAL 82 Cb 1.21 3.00 0.00 0.00 -2.01 0.00 0.00 31.29 33.49 2wgo h VAL 82 CO 0.73 0.83 0.00 0.61 -1.01 0.00 0.00 177.57 178.73 2wgo n GLY 83 N 1.69 2.45 3.23 3.17 0.00 -0.72 -5.01 105.19 110.00 2wgo n GLY 83 Ca -0.16 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 4.12 0.20 -1.26 1.61 1.70 -1.25 -1.93 118.95 122.14 2wgo s ARG 84 Ca 0.00 0.43 -0.19 0.00 -0.47 0.00 0.00 55.73 55.51 2wgo s ARG 84 Cb 0.00 0.25 0.07 0.00 -0.57 0.00 0.00 34.95 34.70 2wgo s ARG 84 CO 0.00 -0.15 1.69 0.21 -1.08 0.00 0.00 175.30 175.97 2wgo s LYS 85 N 2.66 3.94 0.00 3.89 2.47 0.25 -4.70 119.74 128.25 2wgo s LYS 85 Ca -0.01 -1.91 0.00 0.00 -1.56 0.00 0.00 55.97 52.50 2wgo s LYS 85 Cb -0.08 -5.50 0.00 0.00 -1.46 0.00 0.00 37.83 30.80 2wgo s LYS 85 CO -0.14 -2.24 0.00 0.00 0.16 0.00 0.00 175.35 173.14 2wgo n ARG 87 N 0.00 -0.84 0.00 0.00 1.74 -1.26 -4.71 116.66 111.59 2wgo n ARG 87 Ca 0.00 1.04 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 2wgo n ARG 87 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2wgo n ARG 87 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wgo n LYS 88 N 0.27 0.00 0.02 5.56 5.02 -1.26 -4.42 118.16 123.35 2wgo n LYS 88 Ca -0.06 0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2wgo n LYS 88 Cb 0.09 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 2wgo n LYS 88 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wgo h ASP 89 N 0.00 -0.13 -3.31 4.39 5.19 -1.95 -3.44 116.42 117.17 2wgo h ASP 89 Ca 0.00 -0.40 -0.52 0.00 -0.62 0.00 0.00 57.03 55.49 2wgo h ASP 89 Cb 0.00 0.03 -0.39 0.00 0.18 0.00 0.00 39.33 39.16 2wgo h ASP 89 CO 0.00 0.48 -0.77 -0.62 -3.12 0.00 0.00 179.24 175.21 2wgo s ASP 90 N -5.59 2.72 0.48 6.45 2.15 -1.26 -5.13 116.67 116.48 2wgo s ASP 90 Ca -0.12 -0.67 0.07 0.00 0.43 0.00 0.00 52.55 52.27 2wgo s ASP 90 Cb -0.00 -0.71 0.02 0.00 -0.30 0.00 0.00 42.92 41.93 2wgo s ASP 90 CO 0.43 -0.24 0.48 1.51 -0.17 0.00 0.00 175.17 177.18 2wgo s ASP 91 N 1.78 5.00 0.03 -0.34 -4.77 -1.26 -4.97 116.67 112.13 2wgo s ASP 91 Ca 0.00 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.38 2wgo s ASP 91 Cb -0.16 -0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.52 2wgo s ASP 91 CO -0.07 -0.91 0.00 -0.67 0.70 0.00 0.00 175.17 174.21 2wgo n ASP 92 N -1.76 -0.03 -4.65 2.11 -0.08 -1.26 -5.07 116.55 105.81 2wgo n ASP 92 Ca 0.05 0.05 -0.48 0.00 -1.51 0.00 0.00 54.79 52.90 2wgo n ASP 92 Cb 0.62 0.06 -0.05 0.00 2.34 0.00 0.00 41.12 44.10 2wgo n ASP 92 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2wgo n ASP 93 N -2.59 2.74 -0.08 1.67 8.00 -1.26 -4.91 116.55 120.12 2wgo n ASP 93 Ca 0.00 1.09 -0.16 0.00 0.71 0.00 0.00 54.79 56.43 2wgo n ASP 93 Cb 0.00 -1.36 -0.11 0.00 -0.02 0.00 0.00 41.12 39.63 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2wgo h ASP 94 N 5.70 0.00 -3.30 -2.24 1.82 -2.04 -3.46 116.42 112.89 2wgo h ASP 94 Ca -0.46 -0.68 -0.18 0.00 -0.39 0.00 0.00 57.03 55.32 2wgo h ASP 94 Cb 1.27 0.00 0.06 0.00 0.68 0.00 0.00 39.33 41.34 2wgo h ASP 94 CO 0.86 1.16 0.13 0.61 -1.61 0.00 0.00 179.24 180.39 2wgo n GLY 95 N 1.55 -0.54 0.00 -0.78 0.00 -1.26 -5.08 105.19 99.08 2wgo n GLY 95 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30