#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 2.92 -0.48 1.61 2.88 -1.26 -4.08 113.62 115.21 2wgo n SER 0 Ca 0.00 -1.88 0.03 0.00 -1.33 0.00 0.00 58.87 55.69 2wgo n SER 0 Cb 0.00 -0.09 0.10 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.19 1.33 -3.51 2.46 4.77 -1.26 -3.29 117.00 118.70 2wgo n LEU 1 Ca 0.14 -0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 55.06 2wgo n LEU 1 Cb 0.52 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2wgo n LEU 1 CO 0.13 0.29 2.86 0.00 -1.33 0.00 0.00 177.39 179.34 2wgo n ILE 2 N 0.12 3.49 -4.02 -0.08 3.06 -1.26 -4.93 119.36 115.74 2wgo n ILE 2 Ca 0.07 -2.53 -0.26 0.00 -2.50 0.00 0.00 62.75 57.52 2wgo n ILE 2 Cb 0.24 -2.53 -0.04 0.00 0.54 0.00 0.00 39.64 37.84 2wgo n ILE 2 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 2wgo s LEU 3 N 1.12 4.03 0.00 9.51 -0.00 -1.26 -3.81 118.68 128.26 2wgo s LEU 3 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 54.13 54.69 2wgo s LEU 3 Cb 0.15 -2.62 0.00 0.00 -0.00 0.00 0.00 46.19 43.72 2wgo s LEU 3 CO -0.05 0.07 0.00 -0.67 -0.00 0.00 0.00 176.35 175.70 2wgo n ASP 4 N -0.40 0.00 0.00 1.48 2.03 -1.26 -4.96 116.55 113.45 2wgo n ASP 4 Ca -0.08 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2wgo n ASP 4 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 5 N 0.00 0.82 2.24 0.27 0.00 -1.26 -4.61 105.19 102.65 2wgo n GLY 5 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.78 -4.26 1.61 -0.08 -1.00 -4.96 116.55 104.08 2wgo n ASP 6 Ca 0.00 0.11 -0.37 0.00 -1.51 0.00 0.00 54.79 53.02 2wgo n ASP 6 Cb 0.00 -2.65 -0.12 0.00 2.34 0.00 0.00 41.12 40.69 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wgo s LEU 7 N -2.66 4.33 0.02 -2.67 1.43 -1.23 -4.92 118.68 112.99 2wgo s LEU 7 Ca 0.00 -1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 51.63 2wgo s LEU 7 Cb 0.00 -1.85 -0.16 0.00 0.03 0.00 0.00 46.19 44.20 2wgo s LEU 7 CO 0.00 -0.33 1.30 -0.07 0.23 0.00 0.00 176.35 177.47 2wgo h LEU 8 N 8.19 -0.55 0.00 1.79 -0.00 -1.85 -3.38 115.31 119.51 2wgo h LEU 8 Ca -0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2wgo h LEU 8 Cb 1.08 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2wgo h LEU 8 CO 0.60 -0.23 0.00 0.29 -0.00 0.00 0.00 178.44 179.11 2wgo n LYS 9 N -5.28 0.00 -3.35 1.13 5.02 -1.26 -4.53 118.16 109.89 2wgo n LYS 9 Ca -0.11 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.72 2wgo n LYS 9 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.00 6.95 -0.12 4.39 1.01 -1.26 -5.00 116.67 122.63 2wgo s ASP 10 Ca 0.00 -3.09 -0.00 0.00 0.71 0.00 0.00 52.55 50.16 2wgo s ASP 10 Cb 0.00 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 2wgo s ASP 10 CO 0.00 -0.44 -0.11 -1.59 0.21 0.00 0.00 175.17 173.24 2wgo s LYS 11 N -0.47 3.29 0.00 8.23 0.00 -1.26 -5.10 119.74 124.42 2wgo s LYS 11 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 55.97 55.56 2wgo s LYS 11 Cb -0.10 -2.66 0.00 0.00 0.00 0.00 0.00 37.83 35.07 2wgo s LYS 11 CO -0.09 0.31 0.00 1.28 0.00 0.00 0.00 175.35 176.85 2wgo n LEU 12 N 3.26 0.00 -0.61 2.77 4.77 -1.26 -5.03 117.00 120.90 2wgo n LEU 12 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2wgo n LEU 12 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2wgo n LEU 12 CO 0.30 -0.49 0.24 2.29 -1.33 0.00 0.00 177.39 178.39 2wgo n LYS 13 N -0.99 0.00 -4.15 3.23 0.00 -1.26 -4.97 118.16 110.02 2wgo n LYS 13 Ca 0.00 -0.84 -0.10 0.00 -0.00 0.00 0.00 58.31 57.38 2wgo n LYS 13 Cb 0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 35.03 34.64 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2wgo s LEU 14 N 0.00 2.23 0.00 -5.58 0.05 -1.26 -5.16 118.68 108.96 2wgo s LEU 14 Ca 0.03 -1.09 0.00 0.00 0.05 0.00 0.00 54.13 53.12 2wgo s LEU 14 Cb 0.03 0.12 0.00 0.00 -2.05 0.00 0.00 46.19 44.30 2wgo s LEU 14 CO -0.01 -0.60 0.00 -2.65 -0.55 0.00 0.00 176.35 172.53 2wgo n PRO 15 N -0.04 2.46 -1.58 1.48 -0.02 -1.26 -4.80 135.00 131.24 2wgo n PRO 15 Ca -0.10 0.00 -0.53 0.00 -2.02 0.00 0.00 63.50 60.85 2wgo n PRO 15 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.04 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 0.00 0.06 0.00 -1.45 3.14 -1.25 -4.74 118.33 114.08 2wgo n VAL 16 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2wgo n VAL 16 Cb 0.00 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2wgo n ILE 17 N 2.32 0.00 -1.10 1.55 5.41 0.18 -4.94 119.36 122.77 2wgo n ILE 17 Ca 0.18 0.34 -0.04 0.00 1.00 0.00 0.00 62.75 64.24 2wgo n ILE 17 Cb 0.18 -1.31 -0.02 0.00 -0.71 0.00 0.00 39.64 37.79 2wgo n ILE 17 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2wgo n ASP 18 N -2.11 -5.21 -3.38 4.38 10.43 -1.26 -4.87 116.55 114.52 2wgo n ASP 18 Ca 0.00 0.09 -0.39 0.00 2.57 0.00 0.00 54.79 57.05 2wgo n ASP 18 Cb 0.00 -3.03 -0.02 0.00 1.84 0.00 0.00 41.12 39.91 2wgo n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2wgo n ASN 19 N -0.73 8.15 0.00 -2.24 5.15 -1.26 -4.41 115.26 119.92 2wgo n ASN 19 Ca -0.04 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 2wgo n ASN 19 Cb 0.41 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 2wgo n ASN 19 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2wgo n LEU 20 N 3.58 0.89 0.37 1.20 0.00 -1.26 -4.84 117.00 116.95 2wgo n LEU 20 Ca 0.73 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 56.60 2wgo n LEU 20 Cb 0.25 -1.62 -0.07 0.00 0.00 0.00 0.00 43.42 41.98 2wgo n LEU 20 CO 0.84 -0.58 0.44 -0.26 0.00 0.00 0.00 177.39 177.83 2wgo h PHE 21 N 0.00 -0.90 -0.48 1.96 0.04 -1.94 0.14 116.94 115.75 2wgo h PHE 21 Ca 0.00 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2wgo h PHE 21 Cb 0.27 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 2wgo h PHE 21 CO 0.17 -0.56 0.19 0.78 -0.60 0.00 0.00 178.31 178.29 2wgo h GLY 22 N -1.13 0.74 1.40 -1.45 0.00 -1.89 -0.94 103.07 99.80 2wgo h GLY 22 Ca -0.10 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2wgo h GLY 22 CO 0.16 0.35 -0.28 0.50 0.00 0.00 0.00 176.54 177.27 2wgo h LYS 23 N 0.69 0.68 0.36 4.80 1.79 -1.93 -0.96 116.57 121.99 2wgo h LYS 23 Ca 0.17 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2wgo h LYS 23 Cb 0.15 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2wgo h LYS 23 CO -0.02 0.88 -0.17 0.93 -1.08 0.00 0.00 179.45 180.00 2wgo h GLU 24 N 0.58 -0.46 0.21 3.15 4.39 0.26 0.13 114.58 122.85 2wgo h GLU 24 Ca 0.07 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2wgo h GLU 24 Cb 0.78 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 2wgo h GLU 24 CO 0.06 -0.24 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.22 2wgo h LEU 25 N -0.59 -1.13 -2.26 1.33 3.38 -1.14 -1.99 115.31 112.91 2wgo h LEU 25 Ca -0.05 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wgo h LEU 25 Cb 0.44 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wgo h LEU 25 CO 0.08 -0.45 0.08 -0.07 0.09 0.00 0.00 178.44 178.17 2wgo h LEU 26 N -0.65 0.00 -0.36 1.67 3.38 -1.23 -1.09 115.31 117.02 2wgo h LEU 26 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2wgo h LEU 26 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2wgo h LEU 26 CO -0.14 0.00 -0.06 -0.78 0.09 0.00 0.00 178.44 177.55 2wgo h ASP 27 N 0.00 0.68 -0.18 -0.43 3.58 -0.13 0.23 116.42 120.18 2wgo h ASP 27 Ca 0.04 -0.34 -0.19 0.00 0.42 0.00 0.00 57.03 56.96 2wgo h ASP 27 Cb 0.21 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2wgo h ASP 27 CO -0.00 0.86 -0.62 0.11 -2.88 0.00 0.00 179.24 176.71 2wgo h LYS 28 N 0.48 0.74 -0.03 0.28 1.57 -0.64 -3.18 116.57 115.80 2wgo h LYS 28 Ca 0.10 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2wgo h LYS 28 Cb 0.55 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wgo h LYS 28 CO 0.03 1.17 0.00 1.19 -0.57 0.00 0.00 179.45 181.27 2wgo n PHE 29 N -4.05 0.02 -0.26 -1.35 3.72 -0.49 -4.06 117.46 110.98 2wgo n PHE 29 Ca -0.07 -0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 2wgo n PHE 29 Cb 0.66 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.40 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 2.39 0.42 -0.12 -1.08 4.15 -0.50 0.67 115.11 121.04 2wgo h GLN 30 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2wgo h GLN 30 Cb 0.51 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2wgo h GLN 30 CO 0.00 0.28 -0.17 0.22 -1.93 0.00 0.00 178.83 177.23 2wgo h ASP 31 N 0.43 0.18 0.17 -0.69 1.82 -1.80 0.17 116.42 116.70 2wgo h ASP 31 Ca 0.43 -0.04 -0.32 0.00 -0.39 0.00 0.00 57.03 56.71 2wgo h ASP 31 Cb 0.68 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.65 2wgo h ASP 31 CO -0.43 0.37 -1.58 -0.78 -1.61 0.00 0.00 179.24 175.21 2wgo h ASP 32 N 0.18 0.56 -0.32 2.28 1.82 -1.16 -0.12 116.42 119.66 2wgo h ASP 32 Ca 0.04 -0.91 -0.04 0.00 -0.39 0.00 0.00 57.03 55.72 2wgo h ASP 32 Cb 0.41 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2wgo h ASP 32 CO 0.03 1.71 0.09 0.40 -1.61 0.00 0.00 179.24 179.86 2wgo h ILE 33 N -0.04 1.19 0.10 2.25 2.04 0.33 0.41 117.51 123.78 2wgo h ILE 33 Ca -0.32 -0.67 -0.27 0.00 1.00 0.00 0.00 64.86 64.60 2wgo h ILE 33 Cb 1.98 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2wgo h ILE 33 CO 0.15 0.24 -1.31 0.50 0.00 0.00 0.00 178.15 177.72 2wgo h LYS 34 N 0.58 0.21 -0.42 2.37 3.64 -0.75 0.24 116.57 122.44 2wgo h LYS 34 Ca 0.13 -0.36 0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2wgo h LYS 34 Cb 0.24 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2wgo h LYS 34 CO -0.00 1.12 0.13 0.22 -2.27 0.00 0.00 179.45 178.65 2wgo h ASP 35 N 0.06 0.12 0.05 4.20 1.82 -0.46 -1.52 116.42 120.68 2wgo h ASP 35 Ca -0.15 0.05 -0.37 0.00 -0.39 0.00 0.00 57.03 56.16 2wgo h ASP 35 Cb 1.96 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.97 2wgo h ASP 35 CO 0.17 0.10 -2.18 0.29 -1.61 0.00 0.00 179.24 176.02 2wgo n LYS 36 N -5.03 0.67 -0.00 0.28 5.02 0.08 -4.63 118.16 114.55 2wgo n LYS 36 Ca 0.03 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 2wgo n LYS 36 Cb 0.16 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 2wgo n LYS 36 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wgo n TYR 37 N -3.60 0.00 -2.75 2.13 4.01 0.02 -5.02 117.16 111.95 2wgo n TYR 37 Ca -0.41 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.25 2wgo n TYR 37 Cb 0.96 -0.07 0.05 0.00 -0.31 0.00 0.00 39.34 39.97 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 1.45 0.02 3.50 2.72 0.00 -0.57 -4.95 105.19 107.35 2wgo n GLY 38 Ca 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.19 2.81 -0.24 1.61 1.01 -1.21 -4.93 120.40 116.26 2wgo s VAL 39 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 2wgo s VAL 39 Cb -0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2wgo s VAL 39 CO 0.38 -0.03 -0.02 -0.62 0.00 0.00 0.00 175.10 174.81 2wgo s ASP 40 N -2.52 4.48 0.21 3.32 2.15 -1.26 -3.85 116.67 119.20 2wgo s ASP 40 Ca 0.21 -0.54 0.25 0.00 0.43 0.00 0.00 52.55 52.90 2wgo s ASP 40 Cb -0.09 -1.76 0.90 0.00 -0.30 0.00 0.00 42.92 41.67 2wgo s ASP 40 CO 0.12 -0.07 1.74 0.35 -0.17 0.00 0.00 175.17 177.14 2wgo n THR 41 N 4.79 0.68 0.39 1.71 -2.24 -1.26 -1.77 114.28 116.59 2wgo n THR 41 Ca -0.17 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2wgo n THR 41 Cb 0.50 -0.85 0.38 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.00 0.00 -0.78 3.64 -1.94 -3.07 116.57 114.43 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 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2wgo h LYS 42 CO 0.00 0.00 -1.59 -3.47 -2.27 0.00 0.00 179.45 172.12 2wgo n ASP 43 N -2.69 0.39 -4.67 4.20 4.64 -0.73 -4.90 116.55 112.79 2wgo n ASP 43 Ca 0.04 -0.36 -0.42 0.00 -1.38 0.00 0.00 54.79 52.66 2wgo n ASP 43 Cb 0.42 1.58 -0.03 0.00 -1.04 0.00 0.00 41.12 42.05 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 -3.96 4.31 -0.62 -2.67 1.43 -1.09 -4.94 118.68 111.13 2wgo s LEU 44 Ca -0.02 2.19 -0.25 0.00 -1.03 0.00 0.00 54.13 55.03 2wgo s LEU 44 Cb 0.15 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.87 2wgo s LEU 44 CO 0.89 -0.87 1.04 -0.75 0.23 0.00 0.00 176.35 176.88 2wgo s LYS 45 N 3.56 3.26 -0.26 1.70 2.47 -0.91 -4.90 119.74 124.66 2wgo s LYS 45 Ca 0.70 -0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 54.45 2wgo s LYS 45 Cb -0.33 -4.12 -0.01 0.00 -1.46 0.00 0.00 37.83 31.91 2wgo s LYS 45 CO 0.28 -1.72 1.46 0.42 0.16 0.00 0.00 175.35 175.94 2wgo s ILE 46 N 4.41 3.92 -0.04 5.43 1.01 -1.26 0.41 121.20 135.08 2wgo s ILE 46 Ca 0.30 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 2wgo s ILE 46 Cb -0.12 -3.93 -0.26 0.00 0.01 0.00 0.00 42.46 38.15 2wgo s ILE 46 CO 0.16 -0.39 0.68 -0.07 0.00 0.00 0.00 174.94 175.33 2wgo h LEU 47 N 11.29 0.33 -6.05 2.97 3.38 0.04 -3.46 115.31 123.81 2wgo h LEU 47 Ca -0.30 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.17 2wgo h LEU 47 Cb 1.13 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.55 2wgo h LEU 47 CO 1.02 1.49 -0.30 -0.75 0.09 0.00 0.00 178.44 179.98 2wgo s LYS 48 N -2.60 0.55 0.02 1.13 2.20 -0.71 -5.00 119.74 115.33 2wgo s LYS 48 Ca -0.12 0.91 -0.23 0.00 -0.36 0.00 0.00 55.97 56.17 2wgo s LYS 48 Cb 0.07 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 2wgo s LYS 48 CO 0.82 -0.67 0.71 0.99 -0.36 0.00 0.00 175.35 176.85 2wgo s THR 49 N 2.82 4.80 0.31 3.43 2.01 -1.26 -0.36 115.64 127.39 2wgo s THR 49 Ca 0.19 1.50 -0.16 0.00 0.31 0.00 0.00 61.69 63.53 2wgo s THR 49 Cb -0.15 -4.05 0.06 0.00 0.01 0.00 0.00 72.50 68.37 2wgo s THR 49 CO -0.21 0.37 0.81 -1.54 -0.69 0.00 0.00 174.62 173.36 2wgo n SER 50 N 2.84 -2.00 -3.73 3.53 3.41 0.13 0.51 113.62 118.32 2wgo n SER 50 Ca -0.04 -2.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.18 2wgo n SER 50 Cb 0.50 3.30 -0.04 0.00 -0.26 0.00 0.00 64.21 67.72 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 -2.07 1.37 -0.28 4.33 -1.05 -1.26 0.10 118.70 119.82 2wgo s GLU 51 Ca 0.17 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 54.13 2wgo s GLU 51 Cb -0.04 0.52 0.18 0.00 -0.44 0.00 0.00 34.13 34.35 2wgo s GLU 51 CO 0.09 -0.58 0.54 0.34 0.95 0.00 0.00 175.26 176.60 2wgo s ASP 52 N -2.87 -0.93 1.69 0.83 2.15 0.11 -4.89 116.67 112.76 2wgo s ASP 52 Ca 0.09 0.60 0.00 0.00 0.43 0.00 0.00 52.55 53.67 2wgo s ASP 52 Cb -0.01 1.85 0.00 0.00 -0.30 0.00 0.00 42.92 44.46 2wgo s ASP 52 CO -0.03 -0.28 0.00 0.29 -0.17 0.00 0.00 175.17 174.98 2wgo n LYS 53 N 5.41 0.00 -0.30 4.34 4.76 -1.26 -1.81 118.16 129.30 2wgo n LYS 53 Ca -0.01 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.47 2wgo n LYS 53 Cb 0.51 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.86 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 8.09 2.33 -3.97 1.97 1.74 -1.26 -4.84 116.66 120.72 2wgo n ARG 54 Ca 0.00 -1.28 -0.14 0.00 -0.77 0.00 0.00 57.85 55.66 2wgo n ARG 54 Cb 0.00 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 29.68 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 -1.69 0.20 -0.08 -1.55 0.40 -0.75 -0.55 117.98 113.96 2wgo s PHE 55 Ca 0.23 -0.02 -0.09 0.00 -0.60 0.00 0.00 56.93 56.45 2wgo s PHE 55 Cb 0.15 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 2wgo s PHE 55 CO 0.10 -0.03 0.22 0.71 0.70 0.00 0.00 175.22 176.91 2wgo s TYR 56 N 0.21 3.63 -0.38 0.36 2.02 0.44 0.06 117.35 123.69 2wgo s TYR 56 Ca -0.02 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 2wgo s TYR 56 Cb -0.04 -2.03 0.11 0.00 -0.40 0.00 0.00 41.96 39.60 2wgo s TYR 56 CO -0.01 0.71 0.13 0.71 -1.57 0.00 0.00 175.55 175.52 2wgo s TYR 57 N -1.06 2.85 -0.78 2.71 2.02 0.11 -1.10 117.35 122.10 2wgo s TYR 57 Ca 0.18 -2.63 -0.11 0.00 -0.37 0.00 0.00 57.07 54.14 2wgo s TYR 57 Cb -0.13 -2.44 0.20 0.00 -0.40 0.00 0.00 41.96 39.20 2wgo s TYR 57 CO 0.07 -0.87 0.69 0.08 -1.57 0.00 0.00 175.55 173.95 2wgo s VAL 58 N 0.77 5.12 -0.12 0.71 1.01 -0.31 -0.69 120.40 126.90 2wgo s VAL 58 Ca 0.13 -2.61 -0.29 0.00 0.00 0.00 0.00 61.98 59.20 2wgo s VAL 58 Cb -0.21 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2wgo s VAL 58 CO -0.09 -0.99 1.36 -0.55 0.00 0.00 0.00 175.10 174.82 2wgo s SER 59 N 1.76 6.88 0.10 3.32 0.15 0.51 -0.11 113.70 126.31 2wgo s SER 59 Ca 0.18 1.86 0.03 0.00 0.70 0.00 0.00 55.95 58.72 2wgo s SER 59 Cb -0.13 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2wgo s SER 59 CO -0.07 -0.78 -0.10 0.68 1.20 0.00 0.00 173.24 174.17 2wgo s VAL 60 N 3.43 0.91 -0.21 4.45 -7.23 0.14 0.78 120.40 122.67 2wgo s VAL 60 Ca 0.60 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.99 2wgo s VAL 60 Cb -0.25 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2wgo s VAL 60 CO 0.20 -0.60 0.13 -0.62 -0.31 0.00 0.00 175.10 173.90 2wgo s ASP 61 N -2.52 6.09 0.00 4.85 3.68 0.17 0.09 116.67 129.02 2wgo s ASP 61 Ca 0.06 0.16 0.28 0.00 2.13 0.00 0.00 52.55 55.18 2wgo s ASP 61 Cb -0.02 -2.08 1.04 0.00 -1.45 0.00 0.00 42.92 40.42 2wgo s ASP 61 CO -0.00 0.13 1.76 0.00 0.13 0.00 0.00 175.17 177.19 2wgo n ALA 62 N 3.85 2.85 -0.17 3.66 0.00 0.20 -2.15 120.51 128.75 2wgo n ALA 62 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2wgo n ALA 62 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.39 2.05 0.24 0.00 0.00 -1.23 -3.79 105.19 103.84 2wgo n GLY 63 Ca 0.10 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.00 1.61 1.82 -2.00 -3.43 116.42 114.42 2wgo h ASP 64 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2wgo h ASP 64 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2wgo h ASP 64 CO 0.00 0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 2wgo n GLY 65 N 0.12 0.56 4.03 -0.78 0.00 -1.25 -5.15 105.19 102.72 2wgo n GLY 65 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 2.37 -0.08 1.61 0.41 -1.26 -4.92 118.70 116.82 2wgo s GLU 66 Ca 0.00 -1.61 0.01 0.00 -0.41 0.00 0.00 54.97 52.96 2wgo s GLU 66 Cb 0.00 -2.64 0.02 0.00 -1.78 0.00 0.00 34.13 29.73 2wgo s GLU 66 CO 0.00 -0.78 -0.11 0.21 -0.49 0.00 0.00 175.26 174.08 2wgo s LYS 67 N -4.61 1.72 0.31 1.61 2.20 -1.26 -0.63 119.74 119.07 2wgo s LYS 67 Ca 0.60 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 2wgo s LYS 67 Cb -0.06 -1.52 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 2wgo s LYS 67 CO 0.38 -0.07 0.16 0.00 -0.36 0.00 0.00 175.35 175.46 2wgo s LYS 69 N -3.21 0.81 -0.22 0.00 2.20 0.17 0.25 119.74 119.74 2wgo s LYS 69 Ca 0.23 -0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 2wgo s LYS 69 Cb 0.01 0.06 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 2wgo s LYS 69 CO 0.16 -1.19 2.17 1.19 -0.36 0.00 0.00 175.35 177.32 2wgo n PHE 70 N 4.43 1.94 -3.00 4.03 3.01 0.84 0.04 117.46 128.75 2wgo n PHE 70 Ca 0.11 -0.03 -0.44 0.00 1.01 0.00 0.00 57.45 58.10 2wgo n PHE 70 Cb 0.56 -2.68 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 2wgo n PHE 70 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2wgo n LYS 71 N 8.34 3.61 -2.57 -1.08 4.81 -0.65 -1.16 118.16 129.46 2wgo n LYS 71 Ca 0.32 -4.11 -0.41 0.00 -0.87 0.00 0.00 58.31 53.24 2wgo n LYS 71 Cb 0.37 -2.79 -0.03 0.00 0.02 0.00 0.00 35.03 32.60 2wgo n LYS 71 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wgo s ILE 72 N -0.14 3.89 0.12 3.15 1.01 -0.26 -1.95 121.20 127.02 2wgo s ILE 72 Ca 0.37 -0.49 -0.33 0.00 0.00 0.00 0.00 60.65 60.19 2wgo s ILE 72 Cb -0.03 -5.02 -0.13 0.00 0.01 0.00 0.00 42.46 37.30 2wgo s ILE 72 CO -0.01 -1.91 1.70 -1.14 0.00 0.00 0.00 174.94 173.58 2wgo n ARG 73 N 8.95 2.37 -0.54 2.79 0.63 -1.25 -0.42 116.66 129.19 2wgo n ARG 73 Ca 0.25 0.86 -0.31 0.00 -0.92 0.00 0.00 57.85 57.74 2wgo n ARG 73 Cb 0.50 -2.68 0.28 0.00 0.45 0.00 0.00 32.46 31.02 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 1.81 -2.69 -0.69 -0.14 1.02 0.29 -4.35 119.74 114.99 2wgo s LYS 74 Ca 0.81 0.02 -0.26 0.00 0.02 0.00 0.00 55.97 56.57 2wgo s LYS 74 Cb -0.62 -1.42 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 2wgo s LYS 74 CO 0.39 -4.70 2.35 0.34 -0.92 0.00 0.00 175.35 172.81 2wgo s ASP 75 N -3.39 4.24 -0.41 2.83 2.15 -1.21 -4.78 116.67 116.11 2wgo s ASP 75 Ca 0.69 0.36 0.02 0.00 0.43 0.00 0.00 52.55 54.06 2wgo s ASP 75 Cb -0.11 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.13 2wgo s ASP 75 CO 0.57 -3.38 0.29 0.68 -0.17 0.00 0.00 175.17 173.17 2wgo s VAL 76 N 13.26 0.46 0.00 1.11 -7.23 -1.26 -2.37 120.40 124.38 2wgo s VAL 76 Ca 0.91 -2.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2wgo s VAL 76 Cb -0.14 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2wgo s VAL 76 CO 0.14 -1.12 0.00 -0.67 -0.31 0.00 0.00 175.10 173.15 2wgo n ASP 77 N 3.28 0.00 -4.90 4.85 2.03 -1.26 -4.89 116.55 115.65 2wgo n ASP 77 Ca 0.22 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.21 2wgo n ASP 77 Cb 0.42 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 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 5.22 -0.35 5.18 -7.23 -1.26 -4.99 120.40 116.98 2wgo s VAL 78 Ca 0.00 -0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 2wgo s VAL 78 Cb 0.00 -3.63 0.52 0.00 0.56 0.00 0.00 36.38 33.83 2wgo s VAL 78 CO 0.00 0.05 1.68 -0.81 -0.31 0.00 0.00 175.10 175.71 2wgo n PRO 79 N 0.09 2.13 -3.55 4.82 -0.04 -1.26 -4.31 135.00 132.89 2wgo n PRO 79 Ca -0.03 -2.30 -0.14 0.00 -0.04 0.00 0.00 63.50 60.99 2wgo n PRO 79 Cb 0.52 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2wgo n PRO 79 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wgo n LYS 80 N -0.64 0.37 -3.52 0.54 5.02 -1.26 -4.65 118.16 114.01 2wgo n LYS 80 Ca 0.43 -2.29 -0.34 0.00 -2.02 0.00 0.00 58.31 54.09 2wgo n LYS 80 Cb 1.36 1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 38.05 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wgo s MET 81 N -2.95 3.79 0.18 1.97 0.23 -1.26 -3.78 119.30 117.48 2wgo s MET 81 Ca 0.24 0.22 0.14 0.00 -1.03 0.00 0.00 55.69 55.26 2wgo s MET 81 Cb 0.01 -2.93 -0.05 0.00 -1.53 0.00 0.00 34.83 30.33 2wgo s MET 81 CO 0.17 0.51 1.22 -0.24 -2.03 0.00 0.00 175.02 174.66 2wgo h VAL 82 N 2.68 0.92 -2.16 5.16 3.04 -1.68 -3.44 116.25 120.78 2wgo h VAL 82 Ca -0.48 -2.40 -0.01 0.00 -1.01 0.00 0.00 66.70 62.80 2wgo h VAL 82 Cb 1.19 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.87 2wgo h VAL 82 CO 0.67 0.53 0.03 0.61 -1.01 0.00 0.00 177.57 178.39 2wgo n GLY 83 N 1.30 2.07 2.75 3.17 0.00 -0.82 -4.92 105.19 108.73 2wgo n GLY 83 Ca -0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 2wgo n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wgo n ARG 84 N -0.07 0.71 -1.57 1.61 1.85 -1.26 -1.64 116.66 116.29 2wgo n ARG 84 Ca -0.01 -1.69 -0.14 0.00 -1.00 0.00 0.00 57.85 55.01 2wgo n ARG 84 Cb 0.08 -1.38 -0.12 0.00 -1.05 0.00 0.00 32.46 29.99 2wgo n ARG 84 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2wgo n LYS 85 N 1.77 0.12 0.00 2.89 3.00 0.11 -4.55 118.16 121.50 2wgo n LYS 85 Ca 0.09 -1.64 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 2wgo n LYS 85 Cb 0.63 -3.91 0.00 0.00 0.00 0.00 0.00 35.03 31.75 2wgo n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wgo n ARG 87 N 0.00 0.00 0.00 0.00 1.74 -1.23 -4.57 116.66 112.60 2wgo n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wgo n ARG 87 Cb 0.00 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2wgo n ARG 87 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wgo n LYS 88 N -1.84 0.00 -2.69 5.56 4.81 -0.24 -3.56 118.16 120.20 2wgo n LYS 88 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2wgo n LYS 88 Cb 0.00 -0.03 0.08 0.00 0.02 0.00 0.00 35.03 35.10 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2wgo n ASP 89 N 2.13 0.14 -3.67 3.14 2.03 -1.26 -4.57 116.55 114.48 2wgo n ASP 89 Ca 0.00 -2.11 -0.15 0.00 0.52 0.00 0.00 54.79 53.05 2wgo n ASP 89 Cb 0.00 0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.39 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 -2.51 -0.39 0.19 1.67 2.15 -1.23 -5.17 116.67 111.37 2wgo s ASP 90 Ca 0.19 0.41 0.06 0.00 0.43 0.00 0.00 52.55 53.64 2wgo s ASP 90 Cb 0.37 0.47 -0.04 0.00 -0.30 0.00 0.00 42.92 43.43 2wgo s ASP 90 CO -0.08 -0.47 0.14 -0.62 -0.17 0.00 0.00 175.17 173.97 2wgo s ASP 91 N -1.09 5.45 0.00 -0.34 -1.08 -1.26 -4.66 116.67 113.69 2wgo s ASP 91 Ca -0.11 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 2wgo s ASP 91 Cb -0.03 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 40.03 2wgo s ASP 91 CO 0.06 0.04 0.00 -0.67 0.52 0.00 0.00 175.17 175.12 2wgo n ASP 92 N -0.55 0.00 -4.17 -0.34 -0.08 -1.26 -5.06 116.55 105.08 2wgo n ASP 92 Ca -0.08 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.82 2wgo n ASP 92 Cb 0.56 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.91 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2wgo s ASP 93 N -1.00 5.40 0.00 1.67 -1.08 -1.26 -4.93 116.67 115.48 2wgo s ASP 93 Ca 0.00 -1.85 0.00 0.00 -0.52 0.00 0.00 52.55 50.18 2wgo s ASP 93 Cb 0.00 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 2wgo s ASP 93 CO 0.00 -0.56 0.00 -0.67 0.52 0.00 0.00 175.17 174.46 2wgo n ASP 94 N 4.73 0.00 -2.82 -0.34 -0.08 -1.26 -4.67 116.55 112.10 2wgo n ASP 94 Ca -0.06 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.10 2wgo n ASP 94 Cb 0.42 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.97 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 95 N 0.00 -1.71 3.74 0.27 0.00 -1.26 -5.27 105.19 100.96 2wgo n GLY 95 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30