#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 3.79 -0.07 1.61 2.88 0.51 -4.83 113.62 117.52 2wgo n SER 0 Ca 0.00 1.04 0.01 0.00 -1.33 0.00 0.00 58.87 58.59 2wgo n SER 0 Cb 0.00 -1.53 0.01 0.00 -0.75 0.00 0.00 64.21 61.95 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 4.38 0.95 0.08 2.46 4.77 -1.26 -4.30 117.00 124.08 2wgo n LEU 1 Ca 0.17 -1.14 0.12 0.00 -0.03 0.00 0.00 56.01 55.13 2wgo n LEU 1 Cb 0.34 -0.04 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 2wgo n LEU 1 CO 0.65 0.28 0.88 0.00 -1.33 0.00 0.00 177.39 177.87 2wgo n ILE 2 N -0.32 0.58 -4.58 -0.08 0.13 -1.26 -4.69 119.36 109.14 2wgo n ILE 2 Ca 0.02 -0.07 -0.26 0.00 -1.10 0.00 0.00 62.75 61.34 2wgo n ILE 2 Cb 0.45 -0.75 -0.06 0.00 -0.84 0.00 0.00 39.64 38.44 2wgo n ILE 2 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2wgo n LEU 3 N -2.06 0.00 -3.02 9.51 4.32 -1.26 -4.80 117.00 119.68 2wgo n LEU 3 Ca 0.05 -2.87 -0.15 0.00 -0.02 0.00 0.00 56.01 53.01 2wgo n LEU 3 Cb 0.34 0.62 -0.01 0.00 -1.62 0.00 0.00 43.42 42.76 2wgo n LEU 3 CO 0.26 -0.42 -0.17 -0.90 -1.22 0.00 0.00 177.39 174.93 2wgo n ASP 4 N -1.42 0.86 -0.05 -1.43 5.68 -1.25 -4.68 116.55 114.27 2wgo n ASP 4 Ca -0.12 -2.94 -0.00 0.00 -0.50 0.00 0.00 54.79 51.22 2wgo n ASP 4 Cb 0.57 -0.49 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgo n GLY 5 N 0.18 0.36 0.00 6.12 0.00 0.95 -5.01 105.19 107.78 2wgo n GLY 5 Ca 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.91 0.00 0.00 1.61 5.75 -1.08 -4.73 116.55 120.01 2wgo n ASP 6 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2wgo n ASP 6 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wgo n LEU 7 N 0.00 0.00 -4.73 -2.12 7.94 -1.26 -4.32 117.00 112.51 2wgo n LEU 7 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 2wgo n LEU 7 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2wgo n LEU 7 CO 0.00 0.00 1.33 0.18 -1.11 0.00 0.00 177.39 177.79 2wgo n LEU 8 N 0.00 4.14 0.00 -1.96 4.77 -1.26 -4.87 117.00 117.82 2wgo n LEU 8 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 2wgo n LEU 8 Cb 0.00 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 2wgo n LEU 8 CO 0.00 0.18 0.05 0.29 -1.33 0.00 0.00 177.39 176.58 2wgo n LYS 9 N 3.31 3.99 -0.09 3.23 5.02 -1.26 -4.65 118.16 127.70 2wgo n LYS 9 Ca 0.13 -0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2wgo n LYS 9 Cb 0.36 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wgo h ASP 10 N 0.00 0.38 -3.71 4.39 3.45 -2.04 -3.34 116.42 115.56 2wgo h ASP 10 Ca 0.00 -0.08 -0.68 0.00 0.43 0.00 0.00 57.03 56.70 2wgo h ASP 10 Cb 0.03 -0.10 -0.19 0.00 -0.56 0.00 0.00 39.33 38.50 2wgo h ASP 10 CO 0.00 0.36 -0.49 -0.54 -1.57 0.00 0.00 179.24 177.00 2wgo s LYS 11 N -5.88 3.47 -0.29 3.56 1.02 -1.26 -5.04 119.74 115.32 2wgo s LYS 11 Ca -0.13 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 2wgo s LYS 11 Cb 0.09 -3.78 0.19 0.00 -0.52 0.00 0.00 37.83 33.81 2wgo s LYS 11 CO 0.72 -0.45 1.41 -1.17 -0.92 0.00 0.00 175.35 174.94 2wgo s LEU 12 N 1.71 -0.07 -1.59 3.17 2.96 -1.26 -4.88 118.68 118.72 2wgo s LEU 12 Ca 0.06 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2wgo s LEU 12 Cb -0.17 1.14 0.00 0.00 0.50 0.00 0.00 46.19 47.66 2wgo s LEU 12 CO 0.10 -0.03 0.00 0.29 -1.32 0.00 0.00 176.35 175.39 2wgo n LYS 13 N 1.44 -1.28 -3.60 1.98 5.02 -1.26 -4.98 118.16 115.49 2wgo n LYS 13 Ca -0.09 0.94 -0.20 0.00 -2.02 0.00 0.00 58.31 56.94 2wgo n LYS 13 Cb 0.57 -5.28 -0.01 0.00 -0.02 0.00 0.00 35.03 30.29 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgo s LEU 14 N -4.43 4.07 0.00 -0.35 1.43 -1.26 -5.12 118.68 113.01 2wgo s LEU 14 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2wgo s LEU 14 Cb 0.00 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2wgo s LEU 14 CO 0.00 -0.32 0.00 -2.65 0.23 0.00 0.00 176.35 173.61 2wgo n PRO 15 N -1.60 1.20 -1.64 1.29 -0.02 -1.26 -4.81 135.00 128.16 2wgo n PRO 15 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 2wgo n PRO 15 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 -0.64 0.62 -1.34 -1.45 3.14 -1.26 -4.73 118.33 112.66 2wgo n VAL 16 Ca 0.00 -0.24 -0.31 0.00 -2.96 0.00 0.00 64.34 60.83 2wgo n VAL 16 Cb 0.00 -2.37 0.09 0.00 -1.06 0.00 0.00 33.84 30.50 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 5.74 3.35 0.09 1.55 -1.09 0.29 -4.89 121.20 126.24 2wgo s ILE 17 Ca 0.93 0.44 -0.36 0.00 -2.23 0.00 0.00 60.65 59.43 2wgo s ILE 17 Cb -0.42 -3.00 -0.16 0.00 -1.58 0.00 0.00 42.46 37.29 2wgo s ILE 17 CO 0.41 -0.57 1.39 0.47 -1.23 0.00 0.00 174.94 175.41 2wgo n ASP 18 N -3.49 1.92 0.01 3.58 9.92 -1.26 -3.91 116.55 123.31 2wgo n ASP 18 Ca 0.08 1.11 0.04 0.00 -0.53 0.00 0.00 54.79 55.49 2wgo n ASP 18 Cb 0.54 -1.23 0.42 0.00 -0.64 0.00 0.00 41.12 40.21 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2wgo h ASN 19 N 4.87 0.46 -0.55 -2.24 -1.07 -1.93 -0.73 115.58 114.39 2wgo h ASN 19 Ca -0.47 -0.02 0.02 0.00 0.07 0.00 0.00 56.30 55.91 2wgo h ASN 19 Cb 1.32 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 37.42 2wgo h ASN 19 CO 0.80 0.34 0.33 -0.07 0.07 0.00 0.00 177.43 178.91 2wgo h LEU 20 N 0.54 0.54 -0.66 6.14 3.38 -1.98 0.14 115.31 123.41 2wgo h LEU 20 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2wgo h LEU 20 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2wgo h LEU 20 CO -0.03 0.38 0.24 0.15 0.09 0.00 0.00 178.44 179.27 2wgo h PHE 21 N 0.66 1.03 -0.26 1.13 3.57 -1.52 0.73 116.94 122.29 2wgo h PHE 21 Ca 0.22 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2wgo h PHE 21 Cb 0.02 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2wgo h PHE 21 CO -0.06 0.82 -0.05 0.78 -2.23 0.00 0.00 178.31 177.58 2wgo h GLY 22 N 0.94 0.52 1.33 2.40 0.00 -1.11 -2.28 103.07 104.88 2wgo h GLY 22 Ca 0.22 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2wgo h GLY 22 CO -0.01 0.38 0.15 1.70 0.00 0.00 0.00 176.54 178.77 2wgo h LYS 23 N 0.24 0.84 0.29 4.80 1.63 -0.42 -2.48 116.57 121.46 2wgo h LYS 23 Ca 0.07 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2wgo h LYS 23 Cb 0.50 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2wgo h LYS 23 CO 0.02 0.74 -0.40 0.93 -3.45 0.00 0.00 179.45 177.29 2wgo h GLU 24 N 0.82 -0.72 -0.05 1.90 4.39 0.66 0.43 114.58 122.01 2wgo h GLU 24 Ca 0.18 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.97 2wgo h GLU 24 Cb 0.27 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 2wgo h GLU 24 CO -0.01 -0.48 -0.35 -0.07 -1.16 0.00 0.00 179.01 176.94 2wgo h LEU 25 N -0.75 -1.07 -0.55 1.33 3.38 -1.26 0.18 115.31 116.58 2wgo h LEU 25 Ca -0.01 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2wgo h LEU 25 Cb 0.71 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 2wgo h LEU 25 CO -0.13 -0.40 0.01 -0.07 0.09 0.00 0.00 178.44 177.94 2wgo h LEU 26 N -0.48 -0.22 -0.79 1.67 3.38 -1.26 -0.48 115.31 117.12 2wgo h LEU 26 Ca 0.07 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2wgo h LEU 26 Cb 0.58 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2wgo h LEU 26 CO -0.31 -0.08 0.30 -0.78 0.09 0.00 0.00 178.44 177.66 2wgo h ASP 27 N 0.12 1.10 -0.06 -0.43 1.82 0.71 0.17 116.42 119.85 2wgo h ASP 27 Ca 0.28 -0.18 0.02 0.00 -0.39 0.00 0.00 57.03 56.76 2wgo h ASP 27 Cb 0.43 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 2wgo h ASP 27 CO -0.46 0.98 -0.09 0.11 -1.61 0.00 0.00 179.24 178.17 2wgo h LYS 28 N 1.15 -0.12 -0.65 0.28 1.57 0.18 -3.04 116.57 115.93 2wgo h LYS 28 Ca 0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2wgo h LYS 28 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2wgo h LYS 28 CO -0.02 -0.08 0.00 1.19 -0.57 0.00 0.00 179.45 179.97 2wgo n PHE 29 N -5.22 1.20 0.12 -1.35 0.99 -0.27 -4.47 117.46 108.46 2wgo n PHE 29 Ca -0.05 -0.51 0.08 0.00 -0.00 0.00 0.00 57.45 56.98 2wgo n PHE 29 Cb 0.15 -0.15 0.56 0.00 -1.00 0.00 0.00 39.48 39.03 2wgo n PHE 29 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 2wgo h GLN 30 N 3.78 0.22 -0.04 -1.08 3.07 -0.55 0.29 115.11 120.80 2wgo h GLN 30 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 2wgo h GLN 30 Cb 1.19 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.68 2wgo h GLN 30 CO 0.14 0.15 -0.52 0.38 0.09 0.00 0.00 178.83 179.07 2wgo h ASP 31 N 0.23 0.12 0.13 0.06 2.03 -1.82 0.27 116.42 117.43 2wgo h ASP 31 Ca 0.10 -0.06 -0.21 0.00 -0.73 0.00 0.00 57.03 56.13 2wgo h ASP 31 Cb 0.12 -0.03 0.02 0.00 -0.83 0.00 0.00 39.33 38.61 2wgo h ASP 31 CO -0.02 0.62 -0.92 0.44 -1.03 0.00 0.00 179.24 178.33 2wgo h ASP 32 N 0.09 0.59 -0.46 4.15 5.19 -1.28 -1.21 116.42 123.49 2wgo h ASP 32 Ca -0.00 -0.89 -0.00 0.00 -0.62 0.00 0.00 57.03 55.51 2wgo h ASP 32 Cb 0.95 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2wgo h ASP 32 CO 0.07 1.43 0.28 0.40 -3.12 0.00 0.00 179.24 178.30 2wgo h ILE 33 N -0.17 1.14 0.24 0.35 2.04 -0.36 0.42 117.51 121.17 2wgo h ILE 33 Ca -0.15 -0.32 -0.33 0.00 1.00 0.00 0.00 64.86 65.06 2wgo h ILE 33 Cb 1.68 0.48 0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2wgo h ILE 33 CO 0.17 0.15 -1.46 0.50 0.00 0.00 0.00 178.15 177.51 2wgo h LYS 34 N 0.65 0.50 -0.52 2.37 3.11 -0.53 0.33 116.57 122.47 2wgo h LYS 34 Ca 0.17 -0.85 0.07 0.00 -2.81 0.00 0.00 60.65 57.23 2wgo h LYS 34 Cb -0.01 0.32 -0.06 0.00 -1.00 0.00 0.00 32.23 31.47 2wgo h LYS 34 CO -0.03 1.41 0.20 0.22 -2.81 0.00 0.00 179.45 178.44 2wgo h ASP 35 N 0.09 0.21 0.00 4.20 1.82 -0.83 0.42 116.42 122.33 2wgo h ASP 35 Ca -0.26 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2wgo h ASP 35 Cb 2.11 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 42.15 2wgo h ASP 35 CO 0.25 0.15 -0.17 0.11 -1.61 0.00 0.00 179.24 177.97 2wgo h LYS 36 N 0.38 0.00 0.00 0.28 1.57 -0.98 -3.42 116.57 114.40 2wgo h LYS 36 Ca 0.25 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.75 2wgo h LYS 36 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 2wgo h LYS 36 CO -0.25 0.52 -2.05 0.66 -0.57 0.00 0.00 179.45 177.76 2wgo n TYR 37 N -4.66 0.00 -1.03 -1.35 4.01 0.01 -5.04 117.16 109.10 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 0.29 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 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 2.12 0.78 3.29 2.72 0.00 0.14 -4.96 105.19 109.28 2wgo n GLY 38 Ca -0.26 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.52 1.76 -0.33 1.61 1.01 -1.23 -4.92 120.40 115.78 2wgo s VAL 39 Ca 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 2wgo s VAL 39 Cb 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2wgo s VAL 39 CO 0.00 0.04 0.14 -0.62 0.00 0.00 0.00 175.10 174.66 2wgo s ASP 40 N -1.70 5.44 0.29 3.32 3.68 -1.26 -3.94 116.67 122.50 2wgo s ASP 40 Ca 0.07 -0.83 0.26 0.00 2.13 0.00 0.00 52.55 54.18 2wgo s ASP 40 Cb -0.10 -1.95 0.90 0.00 -1.45 0.00 0.00 42.92 40.33 2wgo s ASP 40 CO 0.04 -0.27 1.76 0.71 0.13 0.00 0.00 175.17 177.53 2wgo h THR 41 N 5.88 0.00 0.00 1.71 1.35 -1.90 -2.36 112.91 117.59 2wgo h THR 41 Ca -0.28 -0.42 -0.08 0.00 -0.55 0.00 0.00 66.41 65.08 2wgo h THR 41 Cb 1.12 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2wgo h THR 41 CO 0.63 0.00 -0.36 0.11 -0.25 0.00 0.00 175.52 175.64 2wgo h LYS 42 N 0.00 0.00 0.00 4.72 1.57 -1.93 -2.92 116.57 118.01 2wgo h LYS 42 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2wgo h LYS 42 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2wgo h LYS 42 CO 0.00 0.36 -0.91 0.22 -0.57 0.00 0.00 179.45 178.55 2wgo h ASP 43 N 0.00 0.00 -2.45 0.86 1.82 -1.86 -3.45 116.42 111.34 2wgo h ASP 43 Ca -0.00 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.06 2wgo h ASP 43 Cb 0.94 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 2wgo h ASP 43 CO 0.05 0.30 1.34 -0.76 -1.61 0.00 0.00 179.24 178.56 2wgo s LEU 44 N -5.84 3.48 -0.27 2.28 1.02 -1.10 -4.94 118.68 113.31 2wgo s LEU 44 Ca 0.01 1.46 -0.29 0.00 0.02 0.00 0.00 54.13 55.32 2wgo s LEU 44 Cb 0.08 -3.49 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 2wgo s LEU 44 CO 0.77 -1.80 1.52 -0.75 0.02 0.00 0.00 176.35 176.11 2wgo s LYS 45 N 5.90 3.78 -0.44 1.70 2.47 -1.25 -4.91 119.74 127.00 2wgo s LYS 45 Ca 0.86 1.47 -0.28 0.00 -1.56 0.00 0.00 55.97 56.45 2wgo s LYS 45 Cb -0.25 -4.00 -0.01 0.00 -1.46 0.00 0.00 37.83 32.11 2wgo s LYS 45 CO 0.34 -1.31 1.66 0.42 0.16 0.00 0.00 175.35 176.62 2wgo s ILE 46 N 5.11 3.60 -0.10 5.43 -1.09 -1.26 -1.76 121.20 131.14 2wgo s ILE 46 Ca 0.67 0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 59.57 2wgo s ILE 46 Cb -0.21 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.65 2wgo s ILE 46 CO 0.28 -0.70 0.26 -0.07 -1.23 0.00 0.00 174.94 173.48 2wgo h LEU 47 N 13.76 -0.06 -6.66 2.97 3.38 -0.43 -3.46 115.31 124.81 2wgo h LEU 47 Ca -0.30 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.23 2wgo h LEU 47 Cb 1.14 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 41.58 2wgo h LEU 47 CO 1.10 0.53 -0.56 -0.75 0.09 0.00 0.00 178.44 178.85 2wgo s LYS 48 N -1.98 0.26 0.17 1.13 2.20 -1.00 -5.01 119.74 115.51 2wgo s LYS 48 Ca -0.05 0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 55.66 2wgo s LYS 48 Cb -0.00 -0.83 -0.08 0.00 -1.51 0.00 0.00 37.83 35.41 2wgo s LYS 48 CO 0.18 -0.63 0.87 0.99 -0.36 0.00 0.00 175.35 176.40 2wgo s THR 49 N 2.43 4.33 0.23 3.43 2.01 -1.25 -0.61 115.64 126.21 2wgo s THR 49 Ca 0.09 1.91 -0.09 0.00 0.31 0.00 0.00 61.69 63.91 2wgo s THR 49 Cb -0.15 -4.24 0.04 0.00 0.01 0.00 0.00 72.50 68.15 2wgo s THR 49 CO -0.14 0.45 0.49 -1.54 -0.69 0.00 0.00 174.62 173.19 2wgo n SER 50 N 1.95 -1.37 -3.69 3.53 3.41 0.29 0.10 113.62 117.84 2wgo n SER 50 Ca -0.02 -1.93 -0.06 0.00 -0.26 0.00 0.00 58.87 56.60 2wgo n SER 50 Cb 0.48 2.27 -0.02 0.00 -0.26 0.00 0.00 64.21 66.69 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 -2.05 1.23 0.00 4.33 -1.05 -1.26 0.32 118.70 120.21 2wgo s GLU 51 Ca 0.10 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 2wgo s GLU 51 Cb -0.03 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2wgo s GLU 51 CO 0.07 -0.56 0.00 -3.47 0.95 0.00 0.00 175.26 172.25 2wgo n ASP 52 N -0.42 1.20 0.00 0.83 2.03 0.16 -4.75 116.55 115.60 2wgo n ASP 52 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2wgo n ASP 52 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wgo n LYS 53 N 0.00 0.00 -0.41 -0.67 5.02 -1.26 -3.99 118.16 116.85 2wgo n LYS 53 Ca 0.00 0.41 0.04 0.00 -2.02 0.00 0.00 58.31 56.74 2wgo n LYS 53 Cb 0.00 -1.20 0.21 0.00 -0.02 0.00 0.00 35.03 34.02 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wgo n ARG 54 N -1.72 2.80 -3.83 1.97 1.74 -1.26 -4.88 116.66 111.48 2wgo n ARG 54 Ca 0.00 -1.63 -0.12 0.00 -0.77 0.00 0.00 57.85 55.33 2wgo n ARG 54 Cb 0.00 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 29.58 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 -1.83 -0.06 -0.01 -1.55 0.08 -1.26 -4.11 117.98 109.24 2wgo s PHE 55 Ca 0.29 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2wgo s PHE 55 Cb 0.20 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.63 2wgo s PHE 55 CO 0.11 -0.29 -0.04 0.71 -0.10 0.00 0.00 175.22 175.62 2wgo s TYR 56 N -1.12 2.98 -0.42 0.36 1.51 0.25 0.36 117.35 121.27 2wgo s TYR 56 Ca -0.12 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2wgo s TYR 56 Cb -0.06 -1.65 0.13 0.00 -0.11 0.00 0.00 41.96 40.27 2wgo s TYR 56 CO 0.02 0.41 0.21 0.71 -1.11 0.00 0.00 175.55 175.79 2wgo s TYR 57 N -1.01 2.09 -0.61 2.71 2.02 0.15 -1.36 117.35 121.35 2wgo s TYR 57 Ca 0.17 -2.38 -0.17 0.00 -0.37 0.00 0.00 57.07 54.32 2wgo s TYR 57 Cb -0.11 -1.97 0.13 0.00 -0.40 0.00 0.00 41.96 39.61 2wgo s TYR 57 CO 0.08 -0.80 0.64 0.08 -1.57 0.00 0.00 175.55 173.97 2wgo s VAL 58 N 0.55 5.07 -0.09 0.71 1.01 -0.13 -0.55 120.40 126.96 2wgo s VAL 58 Ca 0.16 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 2wgo s VAL 58 Cb -0.23 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2wgo s VAL 58 CO -0.04 -1.02 1.12 -0.44 0.00 0.00 0.00 175.10 174.72 2wgo s SER 59 N 3.46 7.12 0.01 3.32 0.01 0.22 0.25 113.70 128.09 2wgo s SER 59 Ca 0.09 1.67 0.01 0.00 1.31 0.00 0.00 55.95 59.03 2wgo s SER 59 Cb -0.24 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 2wgo s SER 59 CO 0.03 -0.55 -0.03 0.68 0.41 0.00 0.00 173.24 173.77 2wgo s VAL 60 N 2.30 0.20 -0.82 3.43 -7.23 0.17 0.39 120.40 118.83 2wgo s VAL 60 Ca 0.52 -0.43 -0.26 0.00 -1.81 0.00 0.00 61.98 60.00 2wgo s VAL 60 Cb -0.21 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.53 2wgo s VAL 60 CO 0.19 -0.16 1.31 -0.62 -0.31 0.00 0.00 175.10 175.52 2wgo s ASP 61 N -0.62 6.26 0.55 4.85 2.15 -0.72 0.66 116.67 129.79 2wgo s ASP 61 Ca -0.05 -0.76 0.33 0.00 0.43 0.00 0.00 52.55 52.50 2wgo s ASP 61 Cb -0.04 -2.56 1.44 0.00 -0.30 0.00 0.00 42.92 41.46 2wgo s ASP 61 CO -0.00 -1.73 2.02 0.00 -0.17 0.00 0.00 175.17 175.29 2wgo h ALA 62 N 9.94 1.03 0.00 3.66 0.00 -1.88 -3.33 119.26 128.67 2wgo h ALA 62 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wgo h ALA 62 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2wgo h ALA 62 CO 1.32 0.06 0.00 0.41 0.00 0.00 0.00 179.25 181.04 2wgo n GLY 63 N -0.16 2.59 0.19 0.00 0.00 -1.26 -4.83 105.19 101.72 2wgo n GLY 63 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.27 0.00 1.61 1.82 -1.99 -3.46 116.42 114.67 2wgo h ASP 64 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2wgo h ASP 64 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2wgo h ASP 64 CO 0.00 0.68 0.00 0.61 -1.61 0.00 0.00 179.24 178.92 2wgo n GLY 65 N -0.11 1.26 3.66 -0.78 0.00 -1.26 -5.15 105.19 102.81 2wgo n GLY 65 Ca -0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 2.13 -0.33 1.61 2.02 -1.26 -5.06 118.70 117.80 2wgo s GLU 66 Ca 0.00 -1.76 -0.27 0.00 0.02 0.00 0.00 54.97 52.96 2wgo s GLU 66 Cb 0.00 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.29 2wgo s GLU 66 CO 0.00 0.09 0.98 0.15 0.02 0.00 0.00 175.26 176.50 2wgo s LYS 67 N -3.76 3.98 0.40 1.61 1.02 -1.26 -3.36 119.74 118.38 2wgo s LYS 67 Ca 0.36 0.83 0.03 0.00 0.02 0.00 0.00 55.97 57.21 2wgo s LYS 67 Cb 0.01 -3.76 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 2wgo s LYS 67 CO 0.20 -0.88 0.59 0.00 -0.92 0.00 0.00 175.35 174.34 2wgo s LYS 69 N -4.40 0.56 -0.43 0.00 2.20 -0.70 0.45 119.74 117.41 2wgo s LYS 69 Ca 0.47 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 55.05 2wgo s LYS 69 Cb -0.10 -1.81 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2wgo s LYS 69 CO 0.35 -0.90 1.80 -0.06 -0.36 0.00 0.00 175.35 176.18 2wgo s PHE 70 N 1.81 1.80 -1.09 4.03 0.40 0.14 -3.31 117.98 121.75 2wgo s PHE 70 Ca 0.07 0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 56.98 2wgo s PHE 70 Cb -0.17 -4.12 0.22 0.00 0.51 0.00 0.00 43.02 39.46 2wgo s PHE 70 CO -0.23 -2.64 1.18 0.21 0.70 0.00 0.00 175.22 174.44 2wgo s LYS 71 N 6.10 4.03 -0.20 0.44 2.20 -0.52 -0.95 119.74 130.85 2wgo s LYS 71 Ca 0.74 -2.77 -0.29 0.00 -0.36 0.00 0.00 55.97 53.30 2wgo s LYS 71 Cb -0.18 -4.75 0.00 0.00 -1.51 0.00 0.00 37.83 31.39 2wgo s LYS 71 CO 0.29 -1.48 1.10 0.42 -0.36 0.00 0.00 175.35 175.32 2wgo s ILE 72 N 0.27 4.57 -0.50 5.43 1.01 -0.46 0.43 121.20 131.95 2wgo s ILE 72 Ca 0.33 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.88 2wgo s ILE 72 Cb -0.07 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2wgo s ILE 72 CO -0.05 -0.15 0.74 -1.14 0.00 0.00 0.00 174.94 174.33 2wgo n ARG 73 N 6.29 0.98 0.00 2.79 0.63 -1.23 0.87 116.66 127.00 2wgo n ARG 73 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2wgo n ARG 73 Cb 0.46 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.12 2wgo n ARG 73 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wgo n LYS 74 N 0.26 0.00 -1.86 -0.14 5.02 -1.26 -3.11 118.16 117.07 2wgo n LYS 74 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2wgo n LYS 74 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.42 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 -3.44 7.15 0.00 4.39 -0.08 -1.25 -4.23 116.55 119.09 2wgo n ASP 75 Ca 0.00 -3.81 0.14 0.00 -1.51 0.00 0.00 54.79 49.61 2wgo n ASP 75 Cb 0.00 -0.95 0.77 0.00 2.34 0.00 0.00 41.12 43.28 2wgo n ASP 75 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2wgo n VAL 76 N -0.62 0.05 0.00 5.18 3.14 -1.18 -0.04 118.33 124.87 2wgo n VAL 76 Ca 0.54 0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.93 2wgo n VAL 76 Cb 0.40 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.61 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2wgo n ASP 77 N -1.11 0.00 -4.89 6.55 2.03 -1.26 -4.37 116.55 113.49 2wgo n ASP 77 Ca 0.18 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.18 2wgo n ASP 77 Cb 0.14 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 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 5.00 -0.32 5.18 -7.23 -1.26 -4.90 120.40 116.87 2wgo s VAL 78 Ca 0.00 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2wgo s VAL 78 Cb 0.00 -3.65 0.39 0.00 0.56 0.00 0.00 36.38 33.68 2wgo s VAL 78 CO 0.00 -0.13 1.68 -0.81 -0.31 0.00 0.00 175.10 175.53 2wgo n PRO 79 N -0.35 1.86 0.00 4.82 -0.04 -1.26 -3.79 135.00 136.24 2wgo n PRO 79 Ca -0.01 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 2wgo n PRO 79 Cb 0.53 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.44 0.00 -4.32 0.54 2.85 -1.26 -0.37 118.16 115.17 2wgo n LYS 80 Ca 0.39 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.31 2wgo n LYS 80 Cb 1.11 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 35.38 2wgo n LYS 80 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2wgo s MET 81 N 1.25 3.58 0.08 -1.58 -1.94 -1.26 -3.47 119.30 115.96 2wgo s MET 81 Ca 0.00 -0.46 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 2wgo s MET 81 Cb 0.00 -2.94 -0.23 0.00 2.01 0.00 0.00 34.83 33.67 2wgo s MET 81 CO 0.00 0.35 1.18 -0.24 -0.01 0.00 0.00 175.02 176.29 2wgo h VAL 82 N 4.88 1.38 -2.79 -6.03 3.04 -1.65 -3.44 116.25 111.63 2wgo h VAL 82 Ca -0.36 -2.62 -0.47 0.00 -1.01 0.00 0.00 66.70 62.24 2wgo h VAL 82 Cb 1.19 2.68 -0.14 0.00 -2.01 0.00 0.00 31.29 33.00 2wgo h VAL 82 CO 0.63 0.78 -0.67 -0.83 -1.01 0.00 0.00 177.57 176.46 2wgo s GLY 83 N -4.49 1.75 0.00 3.17 0.00 0.17 -4.62 107.32 103.30 2wgo s GLY 83 Ca -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.79 2wgo s GLY 83 CO 0.90 -1.80 0.59 -0.96 0.00 0.00 0.00 173.10 171.83 2wgo n ARG 84 N -0.54 0.00 -3.15 2.90 0.00 -1.26 -1.43 116.66 113.18 2wgo n ARG 84 Ca -0.06 -0.43 -0.39 0.00 -0.00 0.00 0.00 57.85 56.98 2wgo n ARG 84 Cb 0.63 0.29 -0.05 0.00 -0.00 0.00 0.00 32.46 33.33 2wgo n ARG 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wgo s LYS 85 N 0.00 4.38 0.11 2.89 -0.14 -1.21 -4.68 119.74 121.09 2wgo s LYS 85 Ca 0.00 0.74 -0.26 0.00 -1.36 0.00 0.00 55.97 55.10 2wgo s LYS 85 Cb 0.00 -3.41 -0.07 0.00 -1.68 0.00 0.00 37.83 32.68 2wgo s LYS 85 CO 0.00 0.19 0.80 0.00 -0.76 0.00 0.00 175.35 175.58 2wgo s ARG 87 N -0.51 1.58 0.00 0.00 3.52 -1.06 -4.70 118.95 117.78 2wgo s ARG 87 Ca 0.39 -2.52 0.00 0.00 -0.13 0.00 0.00 55.73 53.47 2wgo s ARG 87 Cb -0.22 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 2wgo s ARG 87 CO 0.25 -1.28 0.00 1.63 -0.81 0.00 0.00 175.30 175.09 2wgo n LYS 88 N 2.75 0.00 -3.48 5.12 4.76 -1.26 -4.89 118.16 121.17 2wgo n LYS 88 Ca 0.20 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.37 2wgo n LYS 88 Cb 0.39 -0.49 -0.09 0.00 -1.84 0.00 0.00 35.03 33.00 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wgo n ASP 89 N -1.33 2.45 -1.66 4.39 2.03 -1.26 -5.02 116.55 116.16 2wgo n ASP 89 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 2wgo n ASP 89 Cb 0.00 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wgo n ASP 90 N 1.40 -6.78 -3.88 1.67 -0.08 -1.26 -5.08 116.55 102.54 2wgo n ASP 90 Ca 0.26 1.02 -0.12 0.00 -1.51 0.00 0.00 54.79 54.44 2wgo n ASP 90 Cb 0.43 -3.75 -0.13 0.00 2.34 0.00 0.00 41.12 40.00 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2wgo s ASP 91 N -0.36 0.01 -0.29 1.67 3.68 -1.26 -4.97 116.67 115.15 2wgo s ASP 91 Ca 0.00 -0.03 -0.14 0.00 2.13 0.00 0.00 52.55 54.51 2wgo s ASP 91 Cb 0.00 0.06 0.12 0.00 -1.45 0.00 0.00 42.92 41.65 2wgo s ASP 91 CO 0.00 -0.06 0.74 -0.62 0.13 0.00 0.00 175.17 175.37 2wgo s ASP 92 N -0.22 -0.93 0.14 -0.34 -1.08 -1.26 -5.10 116.67 107.88 2wgo s ASP 92 Ca -0.03 1.37 -0.08 0.00 -0.52 0.00 0.00 52.55 53.30 2wgo s ASP 92 Cb -0.02 1.75 -0.01 0.00 -1.46 0.00 0.00 42.92 43.18 2wgo s ASP 92 CO -0.00 -0.20 0.23 -0.62 0.52 0.00 0.00 175.17 175.09 2wgo s ASP 93 N 2.18 0.10 0.11 -0.34 2.15 -1.26 -5.05 116.67 114.56 2wgo s ASP 93 Ca -0.08 -0.87 0.14 0.00 0.43 0.00 0.00 52.55 52.18 2wgo s ASP 93 Cb -0.08 0.39 -0.11 0.00 -0.30 0.00 0.00 42.92 42.82 2wgo s ASP 93 CO -0.19 -0.83 1.01 -0.78 -0.17 0.00 0.00 175.17 174.21 2wgo h ASP 94 N 2.64 0.00 -2.12 -0.34 1.82 -2.02 -3.35 116.42 113.05 2wgo h ASP 94 Ca -0.33 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.62 2wgo h ASP 94 Cb 1.22 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.88 2wgo h ASP 94 CO 0.52 0.68 0.21 0.61 -1.61 0.00 0.00 179.24 179.65 2wgo n GLY 95 N 1.37 5.85 0.00 -0.78 0.00 -1.26 -5.13 105.19 105.25 2wgo n GLY 95 Ca -0.07 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.29 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30