#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo s SER 0 N 0.00 4.08 0.00 1.61 0.15 -1.26 -4.62 113.70 113.67 2wgo s SER 0 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2wgo s SER 0 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2wgo s SER 0 CO 0.00 -2.05 0.40 0.00 1.20 0.00 0.00 173.24 172.79 2wgo n LEU 1 N -3.02 -0.09 -4.40 3.45 -0.00 -1.26 -4.56 117.00 107.10 2wgo n LEU 1 Ca 0.15 -0.80 -0.43 0.00 -0.00 0.00 0.00 56.01 54.93 2wgo n LEU 1 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 2wgo n LEU 1 CO 0.43 0.90 -0.05 -0.51 -0.00 0.00 0.00 177.39 178.16 2wgo s ILE 2 N 0.00 5.07 0.00 1.47 2.07 -1.26 -4.96 121.20 123.59 2wgo s ILE 2 Ca 0.00 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2wgo s ILE 2 Cb 0.00 -3.93 0.00 0.00 0.13 0.00 0.00 42.46 38.66 2wgo s ILE 2 CO 0.00 -0.42 0.00 0.18 -1.91 0.00 0.00 174.94 172.79 2wgo n LEU 3 N 5.13 0.00 -0.02 8.50 7.99 -1.26 -4.19 117.00 133.16 2wgo n LEU 3 Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2wgo n LEU 3 Cb 0.45 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.76 2wgo n LEU 3 CO 0.43 0.00 -0.00 0.47 -1.51 0.00 0.00 177.39 176.77 2wgo n ASP 4 N 0.00 -4.44 -2.07 -1.43 9.92 -1.26 -2.25 116.55 115.03 2wgo n ASP 4 Ca 0.00 0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 2wgo n ASP 4 Cb 0.00 -1.96 -0.02 0.00 -0.64 0.00 0.00 41.12 38.51 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wgo n GLY 5 N -1.09 -3.99 3.41 0.44 0.00 -1.26 -4.28 105.19 98.43 2wgo n GLY 5 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.72 0.00 -0.34 1.61 4.64 -1.26 -4.86 116.55 117.05 2wgo n ASP 6 Ca -0.16 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.30 2wgo n ASP 6 Cb 0.24 -0.71 -0.02 0.00 -1.04 0.00 0.00 41.12 39.60 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2wgo n LEU 7 N 0.00 -0.20 0.00 -2.67 4.32 -0.95 -4.24 117.00 113.26 2wgo n LEU 7 Ca 0.00 0.45 0.10 0.00 -0.02 0.00 0.00 56.01 56.55 2wgo n LEU 7 Cb 0.00 -1.09 0.61 0.00 -1.62 0.00 0.00 43.42 41.32 2wgo n LEU 7 CO 0.00 -0.75 0.87 -0.11 -1.22 0.00 0.00 177.39 176.18 2wgo n LEU 8 N -2.70 0.00 0.00 2.23 7.94 -1.26 -4.93 117.00 118.28 2wgo n LEU 8 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2wgo n LEU 8 Cb 0.16 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2wgo n LEU 8 CO 0.01 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.58 2wgo n LYS 9 N -0.85 0.00 -3.77 1.96 4.76 -1.26 -4.53 118.16 114.47 2wgo n LYS 9 Ca 0.15 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 2wgo n LYS 9 Cb 0.07 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.13 2wgo n LYS 9 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2wgo s ASP 10 N -1.84 -0.20 -0.04 4.39 1.47 -1.26 -0.63 116.67 118.55 2wgo s ASP 10 Ca 0.00 0.41 0.06 0.00 1.18 0.00 0.00 52.55 54.21 2wgo s ASP 10 Cb 0.00 0.36 0.09 0.00 -0.34 0.00 0.00 42.92 43.04 2wgo s ASP 10 CO 0.00 -0.11 0.97 2.29 0.68 0.00 0.00 175.17 179.00 2wgo n LYS 11 N 3.56 0.87 -3.42 2.11 -0.00 -1.26 -4.96 118.16 115.06 2wgo n LYS 11 Ca -0.19 -1.51 -0.22 0.00 -0.00 0.00 0.00 58.31 56.39 2wgo n LYS 11 Cb 0.56 -0.90 -0.10 0.00 -0.00 0.00 0.00 35.03 34.58 2wgo n LYS 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wgo s LEU 12 N -1.09 0.29 -0.46 -5.58 1.43 -1.26 -4.99 118.68 107.02 2wgo s LEU 12 Ca 0.10 -1.56 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 2wgo s LEU 12 Cb 0.09 0.15 0.42 0.00 0.03 0.00 0.00 46.19 46.88 2wgo s LEU 12 CO 0.01 -0.32 1.91 0.29 0.23 0.00 0.00 176.35 178.47 2wgo n LYS 13 N 4.52 2.19 -2.67 1.70 5.02 -1.26 -4.53 118.16 123.13 2wgo n LYS 13 Ca 0.07 -2.49 -0.42 0.00 -2.02 0.00 0.00 58.31 53.45 2wgo n LYS 13 Cb 0.43 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.83 4.33 -0.12 -0.35 1.43 -1.26 -4.98 118.68 114.90 2wgo s LEU 14 Ca 0.48 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 2wgo s LEU 14 Cb 0.39 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 2wgo s LEU 14 CO 0.03 -0.34 1.86 -2.84 0.23 0.00 0.00 176.35 175.29 2wgo s PRO 15 N 1.34 3.80 -0.01 1.29 0.02 -1.26 -3.76 135.00 136.42 2wgo s PRO 15 Ca 0.52 2.09 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 2wgo s PRO 15 Cb -0.21 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2wgo s PRO 15 CO 0.25 -1.32 0.01 1.55 -0.33 0.00 0.00 177.00 177.17 2wgo n VAL 16 N 6.33 -2.08 -1.97 3.83 3.14 -1.26 -4.94 118.33 121.37 2wgo n VAL 16 Ca 0.21 0.33 -0.32 0.00 -2.96 0.00 0.00 64.34 61.60 2wgo n VAL 16 Cb 0.44 -2.94 0.02 0.00 -1.06 0.00 0.00 33.84 30.30 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 -0.42 3.83 0.12 1.55 1.01 0.25 -4.84 121.20 122.70 2wgo s ILE 17 Ca -0.01 0.83 -0.34 0.00 0.00 0.00 0.00 60.65 61.12 2wgo s ILE 17 Cb 0.00 -3.38 -0.17 0.00 0.01 0.00 0.00 42.46 38.92 2wgo s ILE 17 CO 0.05 -0.55 1.05 0.47 0.00 0.00 0.00 174.94 175.96 2wgo n ASP 18 N -2.19 0.58 0.24 3.58 9.92 -1.26 -3.33 116.55 124.09 2wgo n ASP 18 Ca 0.09 1.14 0.07 0.00 -0.53 0.00 0.00 54.79 55.56 2wgo n ASP 18 Cb 0.53 -1.09 0.57 0.00 -0.64 0.00 0.00 41.12 40.49 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 2.99 0.00 -0.47 -2.24 -1.07 -1.92 -1.30 115.58 111.57 2wgo h ASN 19 Ca -0.43 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 55.81 2wgo h ASN 19 Cb 1.38 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.62 2wgo h ASN 19 CO 0.67 0.13 -0.21 0.25 0.07 0.00 0.00 177.43 178.34 2wgo h LEU 20 N 0.00 1.00 -1.20 6.14 5.85 -1.98 0.27 115.31 125.40 2wgo h LEU 20 Ca -0.00 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2wgo h LEU 20 Cb 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2wgo h LEU 20 CO 0.02 1.17 0.25 0.15 -0.34 0.00 0.00 178.44 179.69 2wgo h PHE 21 N 0.83 0.81 0.02 1.25 3.04 -1.62 0.19 116.94 121.46 2wgo h PHE 21 Ca 0.11 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 2wgo h PHE 21 Cb 0.79 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.04 2wgo h PHE 21 CO 0.05 0.61 -0.01 0.78 -2.02 0.00 0.00 178.31 177.72 2wgo h GLY 22 N 0.92 -0.03 0.37 2.40 0.00 -1.00 -2.45 103.07 103.28 2wgo h GLY 22 Ca 0.20 0.01 0.18 0.00 0.00 0.00 0.00 47.33 47.72 2wgo h GLY 22 CO -0.02 -0.01 0.58 0.50 0.00 0.00 0.00 176.54 177.59 2wgo h LYS 23 N -0.33 0.48 0.49 4.80 1.79 0.22 0.17 116.57 124.20 2wgo h LYS 23 Ca -0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2wgo h LYS 23 Cb 0.32 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2wgo h LYS 23 CO 0.01 0.32 -0.24 0.93 -1.08 0.00 0.00 179.45 179.39 2wgo h GLU 24 N 0.50 -0.64 0.15 3.15 4.39 -0.52 -0.59 114.58 121.03 2wgo h GLU 24 Ca 0.46 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.21 2wgo h GLU 24 Cb 1.02 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2wgo h GLU 24 CO -0.20 -0.42 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.83 2wgo h LEU 25 N -0.67 -0.97 -1.46 1.33 3.38 -0.48 -2.63 115.31 113.80 2wgo h LEU 25 Ca -0.07 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2wgo h LEU 25 Cb 0.51 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2wgo h LEU 25 CO 0.11 -0.38 0.47 -0.07 0.09 0.00 0.00 178.44 178.67 2wgo h LEU 26 N -0.53 0.54 -0.93 1.67 4.07 -0.78 0.16 115.31 119.51 2wgo h LEU 26 Ca -0.02 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2wgo h LEU 26 Cb 0.50 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2wgo h LEU 26 CO -0.14 0.32 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.71 2wgo h ASP 27 N 0.60 0.69 0.12 -0.43 1.82 -0.98 0.78 116.42 119.03 2wgo h ASP 27 Ca 0.33 -0.18 -0.13 0.00 -0.39 0.00 0.00 57.03 56.66 2wgo h ASP 27 Cb 0.49 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2wgo h ASP 27 CO -0.11 0.80 -0.47 0.11 -1.61 0.00 0.00 179.24 177.95 2wgo h LYS 28 N 0.66 0.41 -0.02 0.28 1.57 -0.32 -3.08 116.57 116.08 2wgo h LYS 28 Ca 0.12 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2wgo h LYS 28 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wgo h LYS 28 CO 0.03 0.80 -0.19 1.19 -0.57 0.00 0.00 179.45 180.71 2wgo n PHE 29 N -3.98 0.00 0.12 -1.35 3.01 -0.97 -0.64 117.46 113.65 2wgo n PHE 29 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 2wgo n PHE 29 Cb 0.54 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.63 2wgo n PHE 29 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2wgo h GLN 30 N 3.70 0.10 -0.78 -1.08 3.07 -0.74 0.12 115.11 119.50 2wgo h GLN 30 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2wgo h GLN 30 Cb 0.88 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.38 2wgo h GLN 30 CO 0.00 0.06 0.35 0.22 0.09 0.00 0.00 178.83 179.56 2wgo h ASP 31 N 0.10 1.03 0.78 0.06 3.58 -1.80 0.38 116.42 120.55 2wgo h ASP 31 Ca 0.12 -0.13 -0.25 0.00 0.42 0.00 0.00 57.03 57.19 2wgo h ASP 31 Cb 0.35 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2wgo h ASP 31 CO -0.01 0.88 -1.29 0.44 -2.88 0.00 0.00 179.24 176.38 2wgo h ASP 32 N 1.11 0.02 0.02 2.28 5.19 -1.39 0.31 116.42 123.96 2wgo h ASP 32 Ca 0.27 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.60 2wgo h ASP 32 Cb 0.15 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2wgo h ASP 32 CO -0.03 1.02 -0.12 0.40 -3.12 0.00 0.00 179.24 177.40 2wgo h ILE 33 N 0.00 1.17 0.13 0.35 2.04 -0.67 0.75 117.51 121.28 2wgo h ILE 33 Ca -0.13 -0.73 -0.35 0.00 1.00 0.00 0.00 64.86 64.66 2wgo h ILE 33 Cb 1.87 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2wgo h ILE 33 CO 0.11 0.23 -1.87 0.50 0.00 0.00 0.00 178.15 177.11 2wgo h LYS 34 N 0.21 0.27 -0.46 2.37 3.64 -0.18 -1.73 116.57 120.68 2wgo h LYS 34 Ca 0.04 -0.45 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 2wgo h LYS 34 Cb 0.34 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2wgo h LYS 34 CO 0.02 1.15 0.29 0.22 -2.27 0.00 0.00 179.45 178.86 2wgo h ASP 35 N 0.07 0.48 0.00 4.20 3.58 -0.25 0.30 116.42 124.81 2wgo h ASP 35 Ca -0.38 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 2wgo h ASP 35 Cb 2.05 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.99 2wgo h ASP 35 CO 0.11 0.35 -0.07 0.11 -2.88 0.00 0.00 179.24 176.86 2wgo h LYS 36 N 0.59 0.00 0.00 0.28 1.57 -0.98 -3.42 116.57 114.60 2wgo h LYS 36 Ca 0.18 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 2wgo h LYS 36 Cb -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2wgo h LYS 36 CO -0.06 0.74 -2.05 0.66 -0.57 0.00 0.00 179.45 178.16 2wgo n TYR 37 N -4.64 0.00 -1.31 -1.35 4.01 -0.70 -5.03 117.16 108.13 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 0.37 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 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 2.11 0.51 3.35 2.72 0.00 0.10 -4.97 105.19 109.00 2wgo n GLY 38 Ca -0.26 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 2.06 -0.27 1.61 1.01 -1.19 -4.94 120.40 116.30 2wgo s VAL 39 Ca 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 61.98 60.25 2wgo s VAL 39 Cb 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2wgo s VAL 39 CO 0.00 0.05 0.07 -0.62 0.00 0.00 0.00 175.10 174.60 2wgo s ASP 40 N -1.96 5.05 0.37 3.32 -1.08 -1.26 -3.86 116.67 117.25 2wgo s ASP 40 Ca 0.11 -0.44 0.20 0.00 -0.52 0.00 0.00 52.55 51.90 2wgo s ASP 40 Cb -0.10 -1.89 0.27 0.00 -1.46 0.00 0.00 42.92 39.74 2wgo s ASP 40 CO 0.05 -0.10 1.55 0.71 0.52 0.00 0.00 175.17 177.90 2wgo h THR 41 N 5.69 0.41 0.00 1.71 1.35 -1.90 -2.58 112.91 117.60 2wgo h THR 41 Ca -0.36 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2wgo h THR 41 Cb 1.15 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 2wgo h THR 41 CO 0.59 0.23 0.00 0.11 -0.25 0.00 0.00 175.52 176.21 2wgo h LYS 42 N 0.00 0.00 0.00 4.72 1.57 -1.93 -2.95 116.57 117.98 2wgo h LYS 42 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2wgo h LYS 42 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2wgo h LYS 42 CO 0.03 0.00 -1.31 0.22 -0.57 0.00 0.00 179.45 177.82 2wgo h ASP 43 N 0.00 0.00 -4.03 0.86 1.82 -1.94 -3.47 116.42 109.66 2wgo h ASP 43 Ca 0.00 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.09 2wgo h ASP 43 Cb 0.93 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.07 2wgo h ASP 43 CO 0.00 0.68 0.64 -0.76 -1.61 0.00 0.00 179.24 178.19 2wgo s LEU 44 N -6.01 3.93 -0.51 2.28 1.43 -0.99 -4.96 118.68 113.85 2wgo s LEU 44 Ca -0.02 2.83 -0.17 0.00 -1.03 0.00 0.00 54.13 55.74 2wgo s LEU 44 Cb 0.08 -4.16 0.08 0.00 0.03 0.00 0.00 46.19 42.22 2wgo s LEU 44 CO 0.81 -1.46 0.53 -0.75 0.23 0.00 0.00 176.35 175.70 2wgo s LYS 45 N -2.77 3.04 -0.14 1.70 2.20 -0.66 -4.95 119.74 118.17 2wgo s LYS 45 Ca 0.68 -1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2wgo s LYS 45 Cb -0.42 -4.16 -0.02 0.00 -1.51 0.00 0.00 37.83 31.73 2wgo s LYS 45 CO 0.51 -1.20 1.19 0.42 -0.36 0.00 0.00 175.35 175.91 2wgo s ILE 46 N 2.13 4.37 -0.20 5.43 1.01 -1.26 0.30 121.20 132.98 2wgo s ILE 46 Ca 0.09 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.22 2wgo s ILE 46 Cb -0.23 -4.07 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 2wgo s ILE 46 CO 0.08 -0.09 0.17 0.18 0.00 0.00 0.00 174.94 175.28 2wgo n LEU 47 N 6.01 2.02 -3.34 2.97 4.77 0.25 -4.93 117.00 124.75 2wgo n LEU 47 Ca 0.12 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2wgo n LEU 47 Cb 0.46 -0.98 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 2wgo n LEU 47 CO 0.55 0.42 -0.04 -0.54 -1.33 0.00 0.00 177.39 176.44 2wgo s LYS 48 N -2.41 0.36 -0.04 3.23 1.02 -0.59 -5.00 119.74 116.32 2wgo s LYS 48 Ca -0.29 0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.95 2wgo s LYS 48 Cb 0.07 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2wgo s LYS 48 CO 0.61 -0.67 0.92 0.99 -0.92 0.00 0.00 175.35 176.28 2wgo s THR 49 N 2.56 4.89 0.37 2.17 2.01 -1.21 -0.13 115.64 126.31 2wgo s THR 49 Ca 0.13 1.90 -0.09 0.00 0.31 0.00 0.00 61.69 63.94 2wgo s THR 49 Cb -0.15 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.14 2wgo s THR 49 CO -0.17 0.15 0.65 -0.44 -0.69 0.00 0.00 174.62 174.12 2wgo s SER 50 N 0.99 0.48 0.15 3.53 0.01 -0.33 0.87 113.70 119.40 2wgo s SER 50 Ca 0.48 -1.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.21 2wgo s SER 50 Cb -0.20 0.78 0.05 0.00 0.21 0.00 0.00 66.02 66.86 2wgo s SER 50 CO 0.23 -1.53 0.50 -1.83 0.41 0.00 0.00 173.24 171.02 2wgo s GLU 51 N -2.56 1.20 0.00 12.44 -1.05 -1.26 -0.04 118.70 127.43 2wgo s GLU 51 Ca 0.23 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2wgo s GLU 51 Cb -0.03 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2wgo s GLU 51 CO 0.16 -0.50 0.00 -3.47 0.95 0.00 0.00 175.26 172.40 2wgo n ASP 52 N -0.30 0.26 -4.59 0.83 2.03 0.16 -4.88 116.55 110.05 2wgo n ASP 52 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 2wgo n ASP 52 Cb 0.64 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wgo s LYS 53 N 1.08 3.05 0.00 -0.67 -0.14 -1.26 -3.08 119.74 118.73 2wgo s LYS 53 Ca 0.00 1.56 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 2wgo s LYS 53 Cb 0.00 -4.32 0.00 0.00 -1.68 0.00 0.00 37.83 31.83 2wgo s LYS 53 CO 0.00 -2.19 0.00 0.54 -0.76 0.00 0.00 175.35 172.94 2wgo n ARG 54 N 8.68 0.00 -5.15 1.68 1.74 0.19 -4.93 116.66 118.87 2wgo n ARG 54 Ca 0.27 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 2wgo n ARG 54 Cb 0.48 -1.81 -0.17 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.11 2.59 0.55 -1.55 2.99 -1.18 -1.25 117.98 119.03 2wgo s PHE 55 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 56.93 55.81 2wgo s PHE 55 Cb 0.00 -1.73 -0.06 0.00 0.00 0.00 0.00 43.02 41.23 2wgo s PHE 55 CO 0.00 -0.38 1.01 0.71 -0.00 0.00 0.00 175.22 176.56 2wgo s TYR 56 N 0.32 3.40 -0.34 0.36 1.51 0.15 0.35 117.35 123.10 2wgo s TYR 56 Ca -0.17 1.44 -0.01 0.00 -1.01 0.00 0.00 57.07 57.32 2wgo s TYR 56 Cb -0.17 -2.81 0.13 0.00 -0.11 0.00 0.00 41.96 38.99 2wgo s TYR 56 CO 0.08 -0.57 0.20 0.71 -1.11 0.00 0.00 175.55 174.86 2wgo s TYR 57 N -2.71 0.69 -0.63 2.71 2.02 0.94 -1.34 117.35 119.03 2wgo s TYR 57 Ca 0.59 -1.51 -0.17 0.00 -0.37 0.00 0.00 57.07 55.61 2wgo s TYR 57 Cb -0.11 -0.95 0.14 0.00 -0.40 0.00 0.00 41.96 40.64 2wgo s TYR 57 CO 0.37 -0.83 0.66 0.08 -1.57 0.00 0.00 175.55 174.26 2wgo s VAL 58 N 1.24 5.11 -0.20 0.71 1.01 -0.31 -1.19 120.40 126.78 2wgo s VAL 58 Ca 0.16 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 2wgo s VAL 58 Cb -0.22 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 2wgo s VAL 58 CO -0.06 -1.03 1.49 -0.55 0.00 0.00 0.00 175.10 174.95 2wgo s SER 59 N 3.36 6.60 0.14 3.32 0.15 0.82 0.02 113.70 128.11 2wgo s SER 59 Ca 0.10 1.66 0.05 0.00 0.70 0.00 0.00 55.95 58.46 2wgo s SER 59 Cb -0.23 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 2wgo s SER 59 CO 0.01 -1.06 -0.11 0.68 1.20 0.00 0.00 173.24 173.96 2wgo s VAL 60 N 4.49 1.18 -0.14 4.45 -7.23 0.19 0.85 120.40 124.19 2wgo s VAL 60 Ca 0.65 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2wgo s VAL 60 Cb -0.24 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2wgo s VAL 60 CO 0.25 -0.69 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.72 2wgo s ASP 61 N -3.04 5.11 0.00 4.85 2.15 0.15 -0.99 116.67 124.91 2wgo s ASP 61 Ca 0.15 -0.00 0.07 0.00 0.43 0.00 0.00 52.55 53.20 2wgo s ASP 61 Cb 0.01 -1.73 0.26 0.00 -0.30 0.00 0.00 42.92 41.16 2wgo s ASP 61 CO 0.01 0.23 1.20 0.00 -0.17 0.00 0.00 175.17 176.44 2wgo n ALA 62 N 3.13 2.49 0.00 3.66 0.00 0.14 -1.65 120.51 128.28 2wgo n ALA 62 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2wgo n ALA 62 Cb 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.80 3.05 0.71 0.00 0.00 -1.26 -4.77 105.19 103.71 2wgo n GLY 63 Ca 0.07 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 0.50 2.17 0.00 1.61 -0.08 -1.26 -4.89 116.55 114.60 2wgo n ASP 64 Ca 0.00 -1.74 0.00 0.00 -1.51 0.00 0.00 54.79 51.54 2wgo n ASP 64 Cb 0.00 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.40 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 65 N 1.25 3.13 3.77 0.27 0.00 -1.26 -5.06 105.19 107.29 2wgo n GLY 65 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 4.25 0.03 1.61 2.12 -1.26 -4.81 118.70 119.94 2wgo s GLU 66 Ca 0.00 2.37 0.06 0.00 0.36 0.00 0.00 54.97 57.75 2wgo s GLU 66 Cb 0.00 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 2wgo s GLU 66 CO 0.00 -0.36 -0.16 0.15 -0.54 0.00 0.00 175.26 174.35 2wgo s LYS 67 N -1.63 1.12 -0.10 4.30 1.02 -1.26 0.26 119.74 123.45 2wgo s LYS 67 Ca 0.52 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.74 2wgo s LYS 67 Cb -0.43 -1.15 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2wgo s LYS 67 CO 0.55 0.29 -0.11 0.00 -0.92 0.00 0.00 175.35 175.16 2wgo n LYS 69 N 4.48 4.40 -1.23 0.00 3.00 0.13 0.55 118.16 129.48 2wgo n LYS 69 Ca -0.17 -4.28 -0.47 0.00 -0.00 0.00 0.00 58.31 53.39 2wgo n LYS 69 Cb 0.51 -2.61 -0.12 0.00 0.00 0.00 0.00 35.03 32.81 2wgo n LYS 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2wgo n PHE 70 N 1.78 0.81 -2.98 5.64 3.72 0.10 -4.17 117.46 122.35 2wgo n PHE 70 Ca 0.33 0.54 -0.44 0.00 -0.05 0.00 0.00 57.45 57.83 2wgo n PHE 70 Cb 0.33 -2.11 -0.01 0.00 -0.94 0.00 0.00 39.48 36.75 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 6.64 3.92 -0.93 -1.08 2.20 -0.70 -1.17 119.74 128.63 2wgo s LYS 71 Ca 1.15 -2.36 -0.22 0.00 -0.36 0.00 0.00 55.97 54.18 2wgo s LYS 71 Cb -1.26 -4.96 0.08 0.00 -1.51 0.00 0.00 37.83 30.18 2wgo s LYS 71 CO 0.53 -1.71 1.28 0.42 -0.36 0.00 0.00 175.35 175.50 2wgo s ILE 72 N 1.68 4.22 -0.65 5.43 1.01 -0.45 -2.42 121.20 130.03 2wgo s ILE 72 Ca 0.38 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 2wgo s ILE 72 Cb -0.04 -4.92 -0.11 0.00 0.01 0.00 0.00 42.46 37.40 2wgo s ILE 72 CO -0.04 -1.74 2.43 -1.14 0.00 0.00 0.00 174.94 174.45 2wgo n ARG 73 N 8.01 0.76 -1.56 2.79 0.63 -1.26 0.32 116.66 126.35 2wgo n ARG 73 Ca 0.24 -0.31 -0.13 0.00 -0.92 0.00 0.00 57.85 56.72 2wgo n ARG 73 Cb 0.50 -3.33 -0.11 0.00 0.45 0.00 0.00 32.46 29.97 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 8.77 0.21 -1.84 -0.14 5.02 -0.38 -2.83 118.16 126.97 2wgo n LYS 74 Ca 0.44 -1.44 -0.09 0.00 -2.02 0.00 0.00 58.31 55.20 2wgo n LYS 74 Cb 0.46 -3.81 -0.02 0.00 -0.02 0.00 0.00 35.03 31.64 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 19.34 -2.71 -4.65 4.39 -0.08 -1.25 -4.52 116.55 127.06 2wgo n ASP 75 Ca 0.42 0.25 -0.43 0.00 -1.51 0.00 0.00 54.79 53.52 2wgo n ASP 75 Cb 0.46 -2.51 -0.02 0.00 2.34 0.00 0.00 41.12 41.39 2wgo n ASP 75 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2wgo s VAL 76 N -2.09 4.65 0.00 5.18 1.01 -1.13 -4.42 120.40 123.61 2wgo s VAL 76 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2wgo s VAL 76 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2wgo s VAL 76 CO 0.00 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.19 2wgo n ASP 77 N 6.43 0.00 -4.73 3.32 -0.08 -1.26 -4.75 116.55 115.48 2wgo n ASP 77 Ca 0.12 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.16 2wgo n ASP 77 Cb 0.46 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.02 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 0.00 2.25 0.91 5.18 -7.23 -1.26 -5.11 120.40 115.14 2wgo s VAL 78 Ca 0.00 -0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.50 2wgo s VAL 78 Cb 0.00 -2.70 0.19 0.00 0.56 0.00 0.00 36.38 34.43 2wgo s VAL 78 CO 0.00 0.00 1.25 -2.16 -0.31 0.00 0.00 175.10 173.88 2wgo s PRO 79 N -5.12 0.81 0.83 4.82 0.05 -1.26 -4.26 135.00 130.87 2wgo s PRO 79 Ca 0.64 -0.62 0.00 0.00 0.05 0.00 0.00 61.00 61.07 2wgo s PRO 79 Cb -0.07 -1.96 0.00 0.00 0.05 0.00 0.00 34.50 32.53 2wgo s PRO 79 CO 0.44 -2.24 0.00 0.36 0.05 0.00 0.00 177.00 175.61 2wgo n LYS 80 N -3.57 0.00 -3.58 4.56 2.85 -1.26 -4.63 118.16 112.53 2wgo n LYS 80 Ca 0.16 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.31 2wgo n LYS 80 Cb 0.60 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.93 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 0.00 0.60 -0.03 -1.58 0.23 -1.25 -3.95 119.30 113.31 2wgo s MET 81 Ca 0.00 0.14 -0.23 0.00 -1.03 0.00 0.00 55.69 54.57 2wgo s MET 81 Cb 0.00 0.28 -0.24 0.00 -1.53 0.00 0.00 34.83 33.34 2wgo s MET 81 CO 0.00 -0.19 1.04 -0.24 -2.03 0.00 0.00 175.02 173.60 2wgo h VAL 82 N 2.56 1.51 -1.79 5.16 3.04 -1.72 -3.44 116.25 121.56 2wgo h VAL 82 Ca -0.18 -2.03 0.03 0.00 -1.01 0.00 0.00 66.70 63.50 2wgo h VAL 82 Cb 1.16 2.74 -0.24 0.00 -2.01 0.00 0.00 31.29 32.95 2wgo h VAL 82 CO 0.31 0.57 0.27 -0.83 -1.01 0.00 0.00 177.57 176.88 2wgo s GLY 83 N -4.00 -0.34 -0.54 3.17 0.00 -1.01 -4.73 107.32 99.86 2wgo s GLY 83 Ca -0.15 2.47 -0.28 0.00 0.00 0.00 0.00 44.72 46.77 2wgo s GLY 83 CO 0.77 1.99 1.62 -1.60 0.00 0.00 0.00 173.10 175.88 2wgo s ARG 84 N 0.64 3.10 -1.52 2.90 3.52 -1.26 -1.72 118.95 124.61 2wgo s ARG 84 Ca -0.01 0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 56.15 2wgo s ARG 84 Cb -0.05 -4.22 -0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2wgo s ARG 84 CO -0.07 -2.17 2.64 1.17 -0.81 0.00 0.00 175.30 176.06 2wgo n LYS 85 N 8.79 3.62 -3.98 5.12 4.81 -1.26 -4.86 118.16 130.40 2wgo n LYS 85 Ca 0.17 -2.56 -0.36 0.00 -0.87 0.00 0.00 58.31 54.68 2wgo n LYS 85 Cb 0.50 -2.90 -0.07 0.00 0.02 0.00 0.00 35.03 32.57 2wgo n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wgo n ARG 87 N 2.17 0.39 0.00 0.00 1.85 -1.24 -4.81 116.66 115.01 2wgo n ARG 87 Ca -0.19 -1.05 0.12 0.00 -1.00 0.00 0.00 57.85 55.72 2wgo n ARG 87 Cb 0.54 -0.43 0.10 0.00 -1.05 0.00 0.00 32.46 31.62 2wgo n ARG 87 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wgo n LYS 88 N 0.59 1.11 0.00 2.89 4.76 -1.26 -4.63 118.16 121.62 2wgo n LYS 88 Ca -0.02 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2wgo n LYS 88 Cb 0.74 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.19 0.00 -4.16 4.39 -0.08 -1.26 -5.01 116.55 110.24 2wgo n ASP 89 Ca 0.10 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.09 2wgo n ASP 89 Cb 0.44 0.11 0.18 0.00 2.34 0.00 0.00 41.12 44.18 2wgo n ASP 89 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2wgo s ASP 90 N -4.31 3.21 -0.30 1.67 -4.77 -1.26 -5.10 116.67 105.81 2wgo s ASP 90 Ca 0.00 0.09 -0.17 0.00 -3.30 0.00 0.00 52.55 49.17 2wgo s ASP 90 Cb 0.00 -0.15 0.18 0.00 -1.09 0.00 0.00 42.92 41.86 2wgo s ASP 90 CO 0.00 -2.65 1.21 -0.62 0.70 0.00 0.00 175.17 173.80 2wgo s ASP 91 N -4.90 -0.03 -0.24 2.11 2.15 -1.26 -4.44 116.67 110.06 2wgo s ASP 91 Ca 0.74 0.01 -0.02 0.00 0.43 0.00 0.00 52.55 53.71 2wgo s ASP 91 Cb -0.03 1.02 0.08 0.00 -0.30 0.00 0.00 42.92 43.68 2wgo s ASP 91 CO 0.52 -0.01 0.06 -0.62 -0.17 0.00 0.00 175.17 174.95 2wgo s ASP 92 N 3.00 3.42 -0.50 -0.34 2.15 -1.26 -5.09 116.67 118.05 2wgo s ASP 92 Ca 0.22 -1.17 -0.28 0.00 0.43 0.00 0.00 52.55 51.75 2wgo s ASP 92 Cb -0.02 -0.72 -0.00 0.00 -0.30 0.00 0.00 42.92 41.88 2wgo s ASP 92 CO -0.18 -0.35 1.59 -0.62 -0.17 0.00 0.00 175.17 175.44 2wgo s ASP 93 N 1.75 5.93 -0.27 -0.34 -1.08 -1.26 -4.92 116.67 116.48 2wgo s ASP 93 Ca 0.03 0.59 -0.00 0.00 -0.52 0.00 0.00 52.55 52.65 2wgo s ASP 93 Cb -0.17 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 38.90 2wgo s ASP 93 CO -0.16 -1.81 0.37 -0.62 0.52 0.00 0.00 175.17 173.48 2wgo s ASP 94 N 5.46 0.56 0.00 -0.34 -1.08 -1.26 -4.98 116.67 115.04 2wgo s ASP 94 Ca 0.62 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 2wgo s ASP 94 Cb -0.14 0.99 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 2wgo s ASP 94 CO 0.27 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.23 2wgo n GLY 95 N 5.35 1.61 0.46 2.66 0.00 -1.26 -4.88 105.19 109.13 2wgo n GLY 95 Ca -0.02 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2wgo n GLY 95 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90