#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 1.58 0.00 1.61 3.41 -1.26 -4.54 113.62 114.42 2wgo n SER 0 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2wgo n SER 0 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2wgo n SER 0 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wgo n LEU 1 N -3.72 0.00 -0.83 1.04 4.77 -1.26 -4.74 117.00 112.26 2wgo n LEU 1 Ca -0.37 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2wgo n LEU 1 Cb 0.78 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.89 2wgo n LEU 1 CO 0.05 0.00 0.42 0.00 -1.33 0.00 0.00 177.39 176.53 2wgo n ILE 2 N -1.00 0.66 0.00 -0.08 0.13 -1.26 -4.75 119.36 113.07 2wgo n ILE 2 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.56 2wgo n ILE 2 Cb 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 39.64 38.06 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 0.23 0.00 -2.77 9.51 7.94 -1.26 -4.48 117.00 126.17 2wgo n LEU 3 Ca 0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2wgo n LEU 3 Cb 0.44 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.47 2wgo n LEU 3 CO 0.03 0.00 0.23 -0.67 -1.11 0.00 0.00 177.39 175.87 2wgo n ASP 4 N 0.00 0.40 -0.59 1.96 2.03 -1.10 -4.64 116.55 114.61 2wgo n ASP 4 Ca 0.00 -2.12 -0.08 0.00 0.52 0.00 0.00 54.79 53.11 2wgo n ASP 4 Cb 0.00 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.93 0.93 0.12 0.27 0.00 0.11 -4.70 105.19 101.00 2wgo n GLY 5 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 2wgo n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgo n ASP 6 N -0.03 1.67 -1.87 1.61 5.75 -1.26 -4.65 116.55 117.77 2wgo n ASP 6 Ca -0.08 0.01 -0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2wgo n ASP 6 Cb 0.34 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wgo n LEU 7 N -3.23 -3.82 0.18 -2.12 7.99 -1.26 -4.92 117.00 109.82 2wgo n LEU 7 Ca -0.38 0.40 0.14 0.00 -0.01 0.00 0.00 56.01 56.16 2wgo n LEU 7 Cb 1.03 -1.71 0.52 0.00 -0.11 0.00 0.00 43.42 43.15 2wgo n LEU 7 CO 0.34 -0.95 0.90 -0.07 -1.51 0.00 0.00 177.39 176.11 2wgo h LEU 8 N 0.89 0.00 0.00 2.23 3.38 -1.98 -3.47 115.31 116.36 2wgo h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wgo h LEU 8 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wgo h LEU 8 CO 0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.85 2wgo n LYS 9 N -2.56 0.00 -4.78 1.13 4.76 -1.26 -4.48 118.16 110.96 2wgo n LYS 9 Ca 0.02 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 2wgo n LYS 9 Cb 0.30 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.32 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wgo s ASP 10 N -1.93 2.99 -0.17 4.39 1.11 -1.26 -3.99 116.67 117.82 2wgo s ASP 10 Ca 0.00 -0.57 0.02 0.00 0.18 0.00 0.00 52.55 52.19 2wgo s ASP 10 Cb 0.00 -1.38 -0.22 0.00 1.07 0.00 0.00 42.92 42.39 2wgo s ASP 10 CO 0.00 0.09 0.17 2.29 1.18 0.00 0.00 175.17 178.90 2wgo n LYS 11 N 3.94 0.70 0.00 8.23 2.85 -1.26 -4.72 118.16 127.90 2wgo n LYS 11 Ca -0.20 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wgo n LYS 11 Cb 0.52 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2wgo n LYS 11 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2wgo n LEU 12 N -3.25 1.22 -3.79 -5.58 -0.00 -1.26 -5.04 117.00 99.30 2wgo n LEU 12 Ca -0.35 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.41 2wgo n LEU 12 Cb 1.04 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.49 2wgo n LEU 12 CO 0.37 0.20 -0.01 1.17 -0.00 0.00 0.00 177.39 179.13 2wgo n LYS 13 N -2.18 -5.06 -3.45 1.47 4.81 -1.26 -4.99 118.16 107.50 2wgo n LYS 13 Ca 0.00 0.60 -0.21 0.00 -0.87 0.00 0.00 58.31 57.83 2wgo n LYS 13 Cb 0.49 -5.26 -0.01 0.00 0.02 0.00 0.00 35.03 30.27 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wgo s LEU 14 N -6.92 3.30 0.00 3.14 1.43 -1.26 -5.14 118.68 113.23 2wgo s LEU 14 Ca 0.25 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2wgo s LEU 14 Cb -0.12 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2wgo s LEU 14 CO 0.82 -0.82 0.00 -2.65 0.23 0.00 0.00 176.35 173.93 2wgo n PRO 15 N -1.72 1.45 -1.68 1.29 -0.02 -1.26 -4.84 135.00 128.23 2wgo n PRO 15 Ca 0.05 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.07 2wgo n PRO 15 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.62 0.23 -3.02 -1.45 3.14 -1.26 -4.80 118.33 110.54 2wgo n VAL 16 Ca 0.00 -0.04 -0.31 0.00 -2.96 0.00 0.00 64.34 61.03 2wgo n VAL 16 Cb 0.00 -1.73 -0.04 0.00 -1.06 0.00 0.00 33.84 31.00 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 2.11 4.78 0.30 1.55 1.01 0.20 -4.93 121.20 126.23 2wgo s ILE 17 Ca 0.83 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.88 2wgo s ILE 17 Cb -0.65 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 2wgo s ILE 17 CO 0.42 -0.37 1.15 0.47 0.00 0.00 0.00 174.94 176.61 2wgo n ASP 18 N -0.89 1.98 0.19 3.58 8.00 -1.26 -3.87 116.55 124.29 2wgo n ASP 18 Ca 0.02 1.19 0.03 0.00 0.71 0.00 0.00 54.79 56.74 2wgo n ASP 18 Cb 0.54 -1.37 0.40 0.00 -0.02 0.00 0.00 41.12 40.66 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 2.39 0.01 -0.37 -2.24 -1.07 -1.94 -0.87 115.58 111.49 2wgo h ASN 19 Ca -0.43 -0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.92 2wgo h ASN 19 Cb 1.31 -0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.55 2wgo h ASN 19 CO 0.63 0.32 0.14 0.25 0.07 0.00 0.00 177.43 178.84 2wgo h LEU 20 N 0.00 0.52 -0.79 6.14 5.85 -1.97 0.58 115.31 125.64 2wgo h LEU 20 Ca -0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2wgo h LEU 20 Cb 0.56 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2wgo h LEU 20 CO 0.04 0.55 0.53 0.15 -0.34 0.00 0.00 178.44 179.37 2wgo h PHE 21 N 0.45 1.00 -0.02 1.25 3.57 -1.73 0.56 116.94 122.02 2wgo h PHE 21 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2wgo h PHE 21 Cb 0.20 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2wgo h PHE 21 CO -0.00 0.63 0.01 0.78 -2.23 0.00 0.00 178.31 177.50 2wgo h GLY 22 N 1.07 0.04 0.73 2.40 0.00 -0.84 -2.38 103.07 104.09 2wgo h GLY 22 Ca 0.29 -0.02 0.15 0.00 0.00 0.00 0.00 47.33 47.75 2wgo h GLY 22 CO -0.06 0.02 0.48 0.50 0.00 0.00 0.00 176.54 177.48 2wgo h LYS 23 N -0.09 0.32 0.42 4.80 1.79 0.74 0.33 116.57 124.88 2wgo h LYS 23 Ca 0.01 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2wgo h LYS 23 Cb 0.13 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2wgo h LYS 23 CO -0.00 0.21 -0.20 0.93 -1.08 0.00 0.00 179.45 179.31 2wgo h GLU 24 N 0.33 -0.54 0.30 3.15 4.39 -0.58 0.81 114.58 122.44 2wgo h GLU 24 Ca 0.35 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 2wgo h GLU 24 Cb 0.89 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 2wgo h GLU 24 CO -0.09 -0.34 -0.53 -0.07 -1.16 0.00 0.00 179.01 176.82 2wgo h LEU 25 N -0.60 -1.52 -2.49 1.33 4.07 -0.38 -2.28 115.31 113.45 2wgo h LEU 25 Ca -0.06 0.14 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2wgo h LEU 25 Cb 0.45 0.53 -0.00 0.00 1.08 0.00 0.00 40.66 42.73 2wgo h LEU 25 CO 0.09 -0.62 -0.01 -0.07 -1.08 0.00 0.00 178.44 176.76 2wgo h LEU 26 N -0.88 0.00 -0.15 1.67 4.07 -0.43 0.31 115.31 119.90 2wgo h LEU 26 Ca -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2wgo h LEU 26 Cb 0.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 2wgo h LEU 26 CO -0.19 0.01 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.34 2wgo h ASP 27 N 0.00 0.31 0.71 -0.43 1.82 -0.52 -0.12 116.42 118.20 2wgo h ASP 27 Ca -0.00 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.13 2wgo h ASP 27 Cb 0.03 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 2wgo h ASP 27 CO 0.00 0.64 -0.54 0.11 -1.61 0.00 0.00 179.24 177.84 2wgo h LYS 28 N -0.01 0.00 -0.01 0.28 1.57 -0.17 -2.55 116.57 115.68 2wgo h LYS 28 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wgo h LYS 28 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wgo h LYS 28 CO 0.02 0.54 -0.15 1.19 -0.57 0.00 0.00 179.45 180.49 2wgo n PHE 29 N -3.70 0.00 -0.10 -1.35 3.72 0.82 -4.24 117.46 112.61 2wgo n PHE 29 Ca -0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2wgo n PHE 29 Cb 0.59 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.42 0.11 -0.35 -1.08 4.15 -0.56 0.65 115.11 119.45 2wgo h GLN 30 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2wgo h GLN 30 Cb 0.47 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2wgo h GLN 30 CO 0.00 0.07 0.12 0.22 -1.93 0.00 0.00 178.83 177.32 2wgo h ASP 31 N 0.11 0.45 0.02 -0.69 3.58 -1.77 0.23 116.42 118.34 2wgo h ASP 31 Ca 0.17 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2wgo h ASP 31 Cb 0.23 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2wgo h ASP 31 CO -0.27 0.43 -0.01 -0.78 -2.88 0.00 0.00 179.24 175.72 2wgo h ASP 32 N 0.50 -0.02 0.16 2.28 3.58 -1.25 0.15 116.42 121.82 2wgo h ASP 32 Ca 0.12 -0.54 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 2wgo h ASP 32 Cb 0.13 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2wgo h ASP 32 CO -0.01 0.53 -0.22 0.40 -2.88 0.00 0.00 179.24 177.07 2wgo h ILE 33 N -0.58 1.19 0.02 2.25 2.04 0.40 -1.32 117.51 121.50 2wgo h ILE 33 Ca -0.00 -0.88 -0.26 0.00 1.00 0.00 0.00 64.86 64.72 2wgo h ILE 33 Cb 0.55 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2wgo h ILE 33 CO 0.00 0.26 -1.36 0.50 0.00 0.00 0.00 178.15 177.55 2wgo h LYS 34 N 0.10 0.04 0.12 2.37 3.64 -0.51 0.30 116.57 122.63 2wgo h LYS 34 Ca 0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wgo h LYS 34 Cb 0.44 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wgo h LYS 34 CO 0.03 0.82 -0.06 0.22 -2.27 0.00 0.00 179.45 178.19 2wgo h ASP 35 N 0.01 -0.14 0.40 4.20 1.82 -0.37 -1.76 116.42 120.58 2wgo h ASP 35 Ca -0.16 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2wgo h ASP 35 Cb 1.90 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.95 2wgo h ASP 35 CO 0.11 -0.05 -0.19 0.11 -1.61 0.00 0.00 179.24 177.61 2wgo h LYS 36 N -0.22 -0.52 0.00 0.28 1.57 -1.28 -3.42 116.57 112.98 2wgo h LYS 36 Ca -0.02 0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2wgo h LYS 36 Cb 0.17 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2wgo h LYS 36 CO 0.03 -0.28 -1.92 0.66 -0.57 0.00 0.00 179.45 177.36 2wgo n TYR 37 N -5.14 0.00 0.00 -1.35 4.01 0.88 -5.03 117.16 110.54 2wgo n TYR 37 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2wgo n TYR 37 Cb 0.24 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 2.54 1.95 3.86 2.72 0.00 -0.21 -4.94 105.19 111.10 2wgo n GLY 38 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 5.17 -1.67 1.61 1.01 -1.20 -4.85 120.40 118.47 2wgo s VAL 39 Ca 0.00 0.53 0.17 0.00 0.00 0.00 0.00 61.98 62.68 2wgo s VAL 39 Cb 0.00 -3.62 0.40 0.00 0.00 0.00 0.00 36.38 33.17 2wgo s VAL 39 CO 0.00 0.48 1.32 -0.67 0.00 0.00 0.00 175.10 176.23 2wgo n ASP 40 N 1.51 3.23 0.00 3.32 2.03 -1.26 -3.46 116.55 121.92 2wgo n ASP 40 Ca -0.13 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.24 2wgo n ASP 40 Cb 0.53 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2wgo n ASP 40 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wgo n THR 41 N 1.10 0.00 -0.19 5.18 -2.24 -1.26 -4.67 114.28 112.19 2wgo n THR 41 Ca 0.17 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.98 2wgo n THR 41 Cb 0.51 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.05 2wgo n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wgo h LYS 42 N 0.00 0.83 -0.02 -0.78 1.57 -1.95 -2.70 116.57 113.53 2wgo h LYS 42 Ca 0.00 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2wgo h LYS 42 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2wgo h LYS 42 CO 0.00 0.55 -0.77 0.22 -0.57 0.00 0.00 179.45 178.88 2wgo h ASP 43 N 0.85 0.22 -2.24 0.86 3.58 -1.95 -3.45 116.42 114.30 2wgo h ASP 43 Ca 0.29 -0.16 -0.56 0.00 0.42 0.00 0.00 57.03 57.02 2wgo h ASP 43 Cb 0.09 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2wgo h ASP 43 CO -0.08 0.91 1.33 -0.76 -2.88 0.00 0.00 179.24 177.75 2wgo s LEU 44 N -7.57 4.02 -0.46 2.28 1.43 -1.02 -4.83 118.68 112.54 2wgo s LEU 44 Ca -0.03 2.32 -0.20 0.00 -1.03 0.00 0.00 54.13 55.19 2wgo s LEU 44 Cb 0.11 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.84 2wgo s LEU 44 CO 0.81 -1.42 0.65 -0.75 0.23 0.00 0.00 176.35 175.86 2wgo s LYS 45 N 5.22 3.24 -0.13 1.70 2.20 -1.06 -4.89 119.74 126.02 2wgo s LYS 45 Ca 0.92 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2wgo s LYS 45 Cb -0.38 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 2wgo s LYS 45 CO 0.38 -1.07 1.41 0.42 -0.36 0.00 0.00 175.35 176.13 2wgo s ILE 46 N 2.81 4.03 -0.16 5.43 1.01 -1.26 0.54 121.20 133.60 2wgo s ILE 46 Ca 0.21 1.24 -0.09 0.00 0.00 0.00 0.00 60.65 62.00 2wgo s ILE 46 Cb -0.15 -3.80 -0.23 0.00 0.01 0.00 0.00 42.46 38.28 2wgo s ILE 46 CO 0.17 -0.12 0.25 0.18 0.00 0.00 0.00 174.94 175.43 2wgo n LEU 47 N 6.83 2.48 -3.23 2.97 4.77 0.21 -4.86 117.00 126.17 2wgo n LEU 47 Ca 0.15 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 2wgo n LEU 47 Cb 0.44 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2wgo n LEU 47 CO 0.58 0.73 0.04 -0.75 -1.33 0.00 0.00 177.39 176.66 2wgo s LYS 48 N -2.51 0.48 -0.05 3.23 2.20 -0.86 -4.99 119.74 117.22 2wgo s LYS 48 Ca -0.26 0.55 -0.20 0.00 -0.36 0.00 0.00 55.97 55.71 2wgo s LYS 48 Cb 0.07 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.37 2wgo s LYS 48 CO 0.71 -0.85 0.58 0.99 -0.36 0.00 0.00 175.35 176.42 2wgo s THR 49 N 2.70 5.03 0.31 3.43 2.01 -1.25 -0.43 115.64 127.44 2wgo s THR 49 Ca 0.13 1.19 -0.15 0.00 0.31 0.00 0.00 61.69 63.18 2wgo s THR 49 Cb -0.13 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.49 2wgo s THR 49 CO -0.24 0.36 0.64 -0.44 -0.69 0.00 0.00 174.62 174.24 2wgo s SER 50 N 0.27 0.03 0.06 3.53 0.01 -0.04 0.62 113.70 118.18 2wgo s SER 50 Ca 0.31 -0.98 0.04 0.00 1.31 0.00 0.00 55.95 56.63 2wgo s SER 50 Cb -0.17 0.71 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 2wgo s SER 50 CO 0.15 -1.38 -0.12 -1.83 0.41 0.00 0.00 173.24 170.48 2wgo s GLU 51 N -3.38 0.71 0.16 12.44 -1.05 -1.26 -0.79 118.70 125.54 2wgo s GLU 51 Ca 0.18 -0.89 0.02 0.00 -0.15 0.00 0.00 54.97 54.13 2wgo s GLU 51 Cb -0.03 -0.61 -0.01 0.00 -0.44 0.00 0.00 34.13 33.04 2wgo s GLU 51 CO 0.11 0.13 0.08 -3.47 0.95 0.00 0.00 175.26 173.05 2wgo n ASP 52 N 1.30 0.71 -4.62 0.83 -0.08 0.11 -4.95 116.55 109.86 2wgo n ASP 52 Ca -0.21 -1.92 -0.43 0.00 -1.51 0.00 0.00 54.79 50.72 2wgo n ASP 52 Cb 0.54 0.50 -0.03 0.00 2.34 0.00 0.00 41.12 44.48 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 -2.63 3.60 0.00 -0.67 -0.14 -1.26 -2.91 119.74 115.73 2wgo s LYS 53 Ca 0.11 1.76 0.00 0.00 -1.36 0.00 0.00 55.97 56.48 2wgo s LYS 53 Cb 0.01 -4.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.01 2wgo s LYS 53 CO 0.08 -1.54 0.00 -2.13 -0.76 0.00 0.00 175.35 170.99 2wgo n ARG 54 N 8.03 0.00 -4.52 1.68 0.63 -1.26 -4.93 116.66 116.29 2wgo n ARG 54 Ca 0.22 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.88 2wgo n ARG 54 Cb 0.45 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.56 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 -1.32 2.08 0.10 -0.14 0.40 -1.14 -1.74 117.98 116.21 2wgo s PHE 55 Ca 0.00 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2wgo s PHE 55 Cb 0.00 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 2wgo s PHE 55 CO 0.00 0.21 0.06 0.71 0.70 0.00 0.00 175.22 176.90 2wgo s TYR 56 N -0.98 3.10 -0.23 0.36 1.51 0.25 0.05 117.35 121.42 2wgo s TYR 56 Ca 0.10 0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2wgo s TYR 56 Cb -0.10 -1.57 0.07 0.00 -0.11 0.00 0.00 41.96 40.25 2wgo s TYR 56 CO 0.04 0.51 0.06 0.71 -1.11 0.00 0.00 175.55 175.75 2wgo s TYR 57 N -1.42 1.10 -0.54 2.71 2.02 0.03 -1.09 117.35 120.16 2wgo s TYR 57 Ca 0.28 -1.03 -0.07 0.00 -0.37 0.00 0.00 57.07 55.88 2wgo s TYR 57 Cb -0.12 -1.15 0.14 0.00 -0.40 0.00 0.00 41.96 40.43 2wgo s TYR 57 CO 0.21 -0.68 0.39 0.08 -1.57 0.00 0.00 175.55 173.98 2wgo s VAL 58 N 1.83 4.08 0.05 0.71 1.01 -0.47 -0.86 120.40 126.75 2wgo s VAL 58 Ca 0.02 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.49 2wgo s VAL 58 Cb -0.17 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2wgo s VAL 58 CO -0.14 -0.82 1.11 -0.55 0.00 0.00 0.00 175.10 174.70 2wgo s SER 59 N 1.97 7.21 0.03 3.32 0.15 0.43 0.13 113.70 126.93 2wgo s SER 59 Ca 0.10 1.90 -0.01 0.00 0.70 0.00 0.00 55.95 58.64 2wgo s SER 59 Cb -0.22 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.49 2wgo s SER 59 CO -0.03 -0.36 -0.01 0.68 1.20 0.00 0.00 173.24 174.72 2wgo s VAL 60 N 0.89 0.13 -0.54 4.45 -7.23 0.11 0.65 120.40 118.85 2wgo s VAL 60 Ca 0.55 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 2wgo s VAL 60 Cb -0.26 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.13 2wgo s VAL 60 CO 0.29 -0.60 1.39 -0.62 -0.31 0.00 0.00 175.10 175.26 2wgo s ASP 61 N -1.78 6.19 -0.49 4.85 2.15 0.19 0.25 116.67 128.03 2wgo s ASP 61 Ca -0.11 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.22 2wgo s ASP 61 Cb -0.06 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.53 2wgo s ASP 61 CO -0.03 -1.65 1.92 0.00 -0.17 0.00 0.00 175.17 175.24 2wgo n ALA 62 N 9.36 5.66 0.00 3.66 0.00 0.15 -2.58 120.51 136.75 2wgo n ALA 62 Ca 0.13 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.73 2wgo n ALA 62 Cb 0.49 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.85 -1.50 0.00 0.00 0.00 -1.26 -4.84 105.19 96.74 2wgo n GLY 63 Ca 0.55 0.60 0.00 0.00 0.00 0.00 0.00 46.02 47.17 2wgo n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgo n ASP 64 N 0.00 0.07 0.00 1.61 5.68 -1.26 -4.95 116.55 117.70 2wgo n ASP 64 Ca 0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 2wgo n ASP 64 Cb 0.00 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgo n GLY 65 N 0.06 0.00 3.67 6.12 0.00 -1.26 -5.11 105.19 108.68 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 -0.53 4.22 -0.44 1.61 2.02 -1.26 -4.92 118.70 119.39 2wgo s GLU 66 Ca 0.00 2.10 -0.14 0.00 0.02 0.00 0.00 54.97 56.95 2wgo s GLU 66 Cb 0.00 -3.78 0.06 0.00 0.10 0.00 0.00 34.13 30.51 2wgo s GLU 66 CO 0.00 -0.74 0.34 0.15 0.02 0.00 0.00 175.26 175.03 2wgo s LYS 67 N 3.27 2.91 0.57 1.61 1.02 -1.26 -0.67 119.74 127.18 2wgo s LYS 67 Ca 0.69 -1.27 0.09 0.00 0.02 0.00 0.00 55.97 55.51 2wgo s LYS 67 Cb -0.33 -4.01 0.08 0.00 -0.52 0.00 0.00 37.83 33.05 2wgo s LYS 67 CO 0.28 -0.93 0.78 0.00 -0.92 0.00 0.00 175.35 174.56 2wgo s LYS 69 N -4.66 0.49 -0.38 0.00 2.20 -1.16 0.06 119.74 116.30 2wgo s LYS 69 Ca 0.62 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.92 2wgo s LYS 69 Cb -0.06 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2wgo s LYS 69 CO 0.39 -0.50 1.08 -0.06 -0.36 0.00 0.00 175.35 175.89 2wgo s PHE 70 N 2.76 3.04 -0.97 4.03 0.08 0.12 -2.95 117.98 124.09 2wgo s PHE 70 Ca 0.11 1.00 -0.19 0.00 0.12 0.00 0.00 56.93 57.97 2wgo s PHE 70 Cb -0.14 -3.93 0.12 0.00 -0.57 0.00 0.00 43.02 38.50 2wgo s PHE 70 CO -0.18 -0.94 1.20 0.21 -0.10 0.00 0.00 175.22 175.42 2wgo s LYS 71 N 3.89 3.64 -0.72 0.44 2.20 -0.29 -1.37 119.74 127.53 2wgo s LYS 71 Ca 0.45 -1.73 -0.26 0.00 -0.36 0.00 0.00 55.97 54.08 2wgo s LYS 71 Cb -0.10 -5.00 0.04 0.00 -1.51 0.00 0.00 37.83 31.25 2wgo s LYS 71 CO 0.21 -1.84 1.21 0.42 -0.36 0.00 0.00 175.35 174.99 2wgo s ILE 72 N 2.97 3.85 -0.57 5.43 1.01 -0.25 -2.88 121.20 130.77 2wgo s ILE 72 Ca 0.36 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.98 2wgo s ILE 72 Cb -0.04 -4.87 -0.03 0.00 0.01 0.00 0.00 42.46 37.54 2wgo s ILE 72 CO -0.09 -1.77 1.93 -0.60 0.00 0.00 0.00 174.94 174.41 2wgo s ARG 73 N 5.37 2.62 -0.13 2.79 3.52 -1.26 0.87 118.95 132.72 2wgo s ARG 73 Ca 0.32 0.80 -0.39 0.00 -0.13 0.00 0.00 55.73 56.33 2wgo s ARG 73 Cb -0.10 -4.40 -0.17 0.00 -1.56 0.00 0.00 34.95 28.73 2wgo s ARG 73 CO 0.14 -2.73 1.54 1.63 -0.81 0.00 0.00 175.30 175.07 2wgo n LYS 74 N 9.09 1.02 -0.21 5.12 5.02 -0.71 -4.14 118.16 133.35 2wgo n LYS 74 Ca 0.23 0.37 -0.01 0.00 -2.02 0.00 0.00 58.31 56.88 2wgo n LYS 74 Cb 0.52 -2.02 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 3.96 -0.38 -4.28 4.39 2.03 -1.26 -4.79 116.55 116.22 2wgo n ASP 75 Ca 0.23 -0.25 -0.39 0.00 0.52 0.00 0.00 54.79 54.90 2wgo n ASP 75 Cb 0.14 -0.12 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 2wgo n ASP 75 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wgo s VAL 76 N 0.00 4.10 0.00 5.18 0.11 -1.26 -0.71 120.40 127.82 2wgo s VAL 76 Ca 0.05 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 2wgo s VAL 76 Cb -0.03 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2wgo s VAL 76 CO 0.02 -0.38 0.00 0.47 -3.33 0.00 0.00 175.10 171.88 2wgo n ASP 77 N 4.88 0.00 -4.48 3.54 8.00 -1.26 -4.77 116.55 122.46 2wgo n ASP 77 Ca -0.11 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.16 2wgo n ASP 77 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2wgo s VAL 78 N 0.00 2.01 -0.54 2.53 -7.23 -1.26 -4.72 120.40 111.19 2wgo s VAL 78 Ca 0.00 -2.20 -0.21 0.00 -1.81 0.00 0.00 61.98 57.76 2wgo s VAL 78 Cb 0.00 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.50 2wgo s VAL 78 CO 0.00 -0.28 0.75 -2.16 -0.31 0.00 0.00 175.10 173.10 2wgo s PRO 79 N -3.65 3.17 -0.26 4.82 0.04 -1.26 -4.69 135.00 133.18 2wgo s PRO 79 Ca 0.31 -0.76 -0.38 0.00 0.04 0.00 0.00 61.00 60.20 2wgo s PRO 79 Cb 0.02 -4.12 0.16 0.00 0.04 0.00 0.00 34.50 30.60 2wgo s PRO 79 CO 0.14 -1.38 1.41 0.15 0.04 0.00 0.00 177.00 177.35 2wgo s LYS 80 N 3.12 0.01 0.07 4.56 1.02 -1.26 -3.82 119.74 123.44 2wgo s LYS 80 Ca 0.19 -0.00 -0.14 0.00 0.02 0.00 0.00 55.97 56.04 2wgo s LYS 80 Cb -0.18 0.00 -0.06 0.00 -0.52 0.00 0.00 37.83 37.07 2wgo s LYS 80 CO 0.13 -0.00 0.47 1.41 -0.92 0.00 0.00 175.35 176.43 2wgo s MET 81 N -2.01 3.93 -0.06 1.68 -2.45 -1.26 -4.40 119.30 114.74 2wgo s MET 81 Ca 0.13 0.42 -0.22 0.00 -1.25 0.00 0.00 55.69 54.77 2wgo s MET 81 Cb 0.01 -3.09 -0.17 0.00 1.25 0.00 0.00 34.83 32.83 2wgo s MET 81 CO -0.03 0.59 0.88 -0.24 1.05 0.00 0.00 175.02 177.27 2wgo h VAL 82 N 3.23 0.95 -3.19 10.11 3.04 -1.80 -3.46 116.25 125.13 2wgo h VAL 82 Ca -0.50 -1.23 -0.05 0.00 -1.01 0.00 0.00 66.70 63.92 2wgo h VAL 82 Cb 1.21 1.61 -0.13 0.00 -2.01 0.00 0.00 31.29 31.97 2wgo h VAL 82 CO 0.64 0.25 0.02 -0.83 -1.01 0.00 0.00 177.57 176.64 2wgo s GLY 83 N -3.35 -0.39 -0.39 3.17 0.00 -1.14 -4.98 107.32 100.25 2wgo s GLY 83 Ca -0.13 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.81 2wgo s GLY 83 CO 0.50 -0.09 0.14 -1.60 0.00 0.00 0.00 173.10 172.05 2wgo s ARG 84 N -3.57 1.34 -0.28 2.90 3.52 -1.26 -1.14 118.95 120.46 2wgo s ARG 84 Ca 0.01 -1.85 -0.02 0.00 -0.13 0.00 0.00 55.73 53.74 2wgo s ARG 84 Cb 0.01 -2.72 0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2wgo s ARG 84 CO -0.11 -1.03 -0.02 0.21 -0.81 0.00 0.00 175.30 173.54 2wgo s LYS 85 N 0.73 2.60 0.18 5.12 2.47 -1.15 -4.99 119.74 124.70 2wgo s LYS 85 Ca 0.13 -1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 53.11 2wgo s LYS 85 Cb -0.21 -3.12 -0.08 0.00 -1.46 0.00 0.00 37.83 32.96 2wgo s LYS 85 CO -0.09 -0.54 0.91 0.00 0.16 0.00 0.00 175.35 175.79 2wgo n ARG 87 N 1.96 1.53 0.30 0.00 1.85 -0.14 -4.86 116.66 117.28 2wgo n ARG 87 Ca -0.01 -3.80 0.17 0.00 -1.00 0.00 0.00 57.85 53.21 2wgo n ARG 87 Cb 0.48 -1.71 0.93 0.00 -1.05 0.00 0.00 32.46 31.11 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2wgo h LYS 88 N 3.63 0.00 0.00 2.89 3.64 -1.81 -3.39 116.57 121.53 2wgo h LYS 88 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2wgo h LYS 88 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2wgo h LYS 88 CO 0.60 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 177.57 2wgo n ASP 89 N -3.38 0.00 -4.45 4.20 8.00 -1.26 -4.83 116.55 114.82 2wgo n ASP 89 Ca -0.02 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 2wgo n ASP 89 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wgo s ASP 90 N -1.14 2.80 0.00 -2.24 2.15 -1.26 -5.17 116.67 111.81 2wgo s ASP 90 Ca 0.00 -1.25 0.00 0.00 0.43 0.00 0.00 52.55 51.73 2wgo s ASP 90 Cb 0.00 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 2wgo s ASP 90 CO 0.00 -0.41 0.00 -0.90 -0.17 0.00 0.00 175.17 173.69 2wgo n ASP 91 N -0.65 1.19 -2.56 -0.34 5.68 -1.26 -4.48 116.55 114.14 2wgo n ASP 91 Ca -0.05 -0.67 -0.05 0.00 -0.50 0.00 0.00 54.79 53.53 2wgo n ASP 91 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2wgo n ASP 92 N -1.20 1.12 0.00 -1.12 2.03 -1.26 -5.10 116.55 111.02 2wgo n ASP 92 Ca 0.00 -1.36 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2wgo n ASP 92 Cb 0.00 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wgo n ASP 93 N -2.19 0.00 0.00 1.67 -0.08 -1.26 -4.91 116.55 109.78 2wgo n ASP 93 Ca 0.00 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2wgo n ASP 93 Cb 0.12 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.56 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2wgo n ASP 94 N -0.58 0.46 -4.05 1.67 4.64 -1.26 -4.91 116.55 112.51 2wgo n ASP 94 Ca 0.00 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.06 2wgo n ASP 94 Cb 0.00 0.08 -0.08 0.00 -1.04 0.00 0.00 41.12 40.08 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wgo n GLY 95 N 0.36 1.30 0.48 0.27 0.00 -1.26 -5.05 105.19 101.29 2wgo n GLY 95 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30