#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 s GLU 2 N 0.00 3.12 -0.07 3.17 0.41 -0.70 -4.88 118.70 119.75 2wb1 s GLU 2 Ca 0.00 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.95 2wb1 s GLU 2 Cb 0.00 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.63 2wb1 s GLU 2 CO 0.00 0.46 0.11 0.42 -0.49 0.00 0.00 175.26 175.75 2wb1 s ILE 3 N -0.25 5.09 0.03 -1.63 1.09 -1.26 0.50 121.20 124.76 2wb1 s ILE 3 Ca 0.03 -0.06 0.06 0.00 -1.10 0.00 0.00 60.65 59.58 2wb1 s ILE 3 Cb -0.13 -3.25 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 2wb1 s ILE 3 CO 0.03 0.52 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.66 2wb1 s LYS 4 N -1.27 1.33 -0.12 2.79 -0.14 -0.13 -5.00 119.74 117.19 2wb1 s LYS 4 Ca 0.18 -0.82 -0.27 0.00 -1.36 0.00 0.00 55.97 53.70 2wb1 s LYS 4 Cb -0.12 -1.38 -0.02 0.00 -1.68 0.00 0.00 37.83 34.64 2wb1 s LYS 4 CO 0.08 0.36 0.89 0.96 -0.76 0.00 0.00 175.35 176.88 2wb1 s ILE 5 N -0.69 4.86 -0.10 2.17 -4.36 -1.26 -2.88 121.20 118.94 2wb1 s ILE 5 Ca 0.06 1.79 0.04 0.00 -0.26 0.00 0.00 60.65 62.28 2wb1 s ILE 5 Cb -0.08 -4.20 -0.09 0.00 1.25 0.00 0.00 42.46 39.34 2wb1 s ILE 5 CO 0.01 0.05 -0.04 0.18 0.24 0.00 0.00 174.94 175.38 2wb1 n LEU 6 N 4.89 1.71 -3.34 0.37 4.77 -0.15 -5.01 117.00 120.25 2wb1 n LEU 6 Ca 0.05 -0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2wb1 n LEU 6 Cb 0.49 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2wb1 n LEU 6 CO 0.50 0.48 0.68 -0.75 -1.33 0.00 0.00 177.39 176.97 2wb1 s LYS 7 N -2.21 0.23 -0.50 3.23 2.20 -1.21 -4.94 119.74 116.53 2wb1 s LYS 7 Ca -0.10 0.57 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2wb1 s LYS 7 Cb 0.03 0.34 0.14 0.00 -1.51 0.00 0.00 37.83 36.83 2wb1 s LYS 7 CO 0.29 -0.08 0.28 0.45 -0.36 0.00 0.00 175.35 175.93 2wb1 s SER 8 N 2.37 3.99 -0.40 1.43 0.15 -1.26 0.43 113.70 120.41 2wb1 s SER 8 Ca -0.02 -2.94 -0.07 0.00 0.70 0.00 0.00 55.95 53.62 2wb1 s SER 8 Cb -0.05 -1.34 0.08 0.00 -1.71 0.00 0.00 66.02 63.00 2wb1 s SER 8 CO -0.17 -0.23 0.22 -0.70 1.20 0.00 0.00 173.24 173.56 2wb1 s GLU 9 N -0.13 2.47 0.82 5.44 2.56 -1.16 -4.93 118.70 123.77 2wb1 s GLU 9 Ca 0.19 -1.51 0.00 0.00 0.00 0.00 0.00 54.97 53.65 2wb1 s GLU 9 Cb -0.22 -3.67 0.00 0.00 2.00 0.00 0.00 34.13 32.24 2wb1 s GLU 9 CO -0.02 -0.94 0.00 0.43 -0.56 0.00 0.00 175.26 174.17 2wb1 n SER 10 N 4.82 0.00 -0.83 -1.70 7.64 -1.26 -0.77 113.62 121.53 2wb1 n SER 10 Ca -0.09 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.81 2wb1 n SER 10 Cb 0.43 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.83 2wb1 n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wb1 n ASN 11 N 1.72 2.00 -4.28 6.43 3.02 -1.26 -4.80 115.26 118.08 2wb1 n ASN 11 Ca 0.00 -3.87 -0.19 0.00 -0.03 0.00 0.00 54.58 50.49 2wb1 n ASN 11 Cb 0.00 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.49 2wb1 n ASN 11 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wb1 s TYR 12 N -3.25 1.56 -0.11 3.10 5.04 0.05 -2.88 117.35 120.87 2wb1 s TYR 12 Ca 0.41 -0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 54.41 2wb1 s TYR 12 Cb 0.39 -0.79 0.03 0.00 0.35 0.00 0.00 41.96 41.94 2wb1 s TYR 12 CO -0.05 0.23 0.27 -1.17 -1.34 0.00 0.00 175.55 173.49 2wb1 s LEU 13 N -2.69 0.77 -0.27 6.97 2.96 -0.94 -3.00 118.68 122.47 2wb1 s LEU 13 Ca 0.13 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2wb1 s LEU 13 Cb -0.04 0.90 0.07 0.00 0.50 0.00 0.00 46.19 47.61 2wb1 s LEU 13 CO 0.04 -0.12 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.20 2wb1 s GLU 14 N 0.50 1.91 -0.14 1.98 2.56 0.17 -2.43 118.70 123.26 2wb1 s GLU 14 Ca -0.03 -1.39 0.02 0.00 0.00 0.00 0.00 54.97 53.57 2wb1 s GLU 14 Cb -0.04 -2.88 0.01 0.00 2.00 0.00 0.00 34.13 33.22 2wb1 s GLU 14 CO -0.03 -0.67 -0.21 -1.17 -0.56 0.00 0.00 175.26 172.63 2wb1 s LEU 15 N 1.12 2.04 -0.17 2.70 2.96 -0.91 -0.97 118.68 125.45 2wb1 s LEU 15 Ca -0.03 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2wb1 s LEU 15 Cb -0.19 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 2wb1 s LEU 15 CO -0.06 0.07 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.26 2wb1 s GLU 16 N 0.87 3.48 -0.35 1.98 2.12 -1.14 0.15 118.70 125.80 2wb1 s GLU 16 Ca -0.06 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2wb1 s GLU 16 Cb -0.15 -2.84 0.10 0.00 0.26 0.00 0.00 34.13 31.50 2wb1 s GLU 16 CO -0.02 0.10 0.08 0.42 -0.54 0.00 0.00 175.26 175.30 2wb1 s ILE 17 N 0.69 2.57 -1.26 -3.70 1.01 -0.17 -0.96 121.20 119.39 2wb1 s ILE 17 Ca -0.04 -2.20 -0.17 0.00 0.00 0.00 0.00 60.65 58.24 2wb1 s ILE 17 Cb -0.15 -2.82 0.10 0.00 0.01 0.00 0.00 42.46 39.60 2wb1 s ILE 17 CO 0.02 -0.58 1.63 -0.70 0.00 0.00 0.00 174.94 175.31 2wb1 s GLU 18 N 0.99 4.01 0.00 2.79 2.12 0.18 -3.01 118.70 125.77 2wb1 s GLU 18 Ca 0.09 -2.15 0.00 0.00 0.36 0.00 0.00 54.97 53.26 2wb1 s GLU 18 Cb -0.20 -5.38 0.00 0.00 0.26 0.00 0.00 34.13 28.81 2wb1 s GLU 18 CO -0.07 -2.10 0.00 0.41 -0.54 0.00 0.00 175.26 172.97 2wb1 n GLY 19 N 5.04 0.00 3.68 -1.50 0.00 -1.20 -1.72 105.19 109.49 2wb1 n GLY 19 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2wb1 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 20 N 0.00 2.43 0.00 1.61 0.41 -1.20 -4.66 118.70 117.28 2wb1 s GLU 20 Ca 0.00 -1.30 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 2wb1 s GLU 20 Cb 0.00 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 2wb1 s GLU 20 CO 0.00 0.39 0.00 -0.40 -0.49 0.00 0.00 175.26 174.76 2wb1 n ASP 21 N -0.81 0.18 -0.08 -0.19 5.68 -1.26 -3.79 116.55 116.29 2wb1 n ASP 21 Ca -0.07 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.15 2wb1 n ASP 21 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 2wb1 n ASP 21 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2wb1 h HIS 22 N 0.00 0.04 -0.95 2.11 3.86 -1.98 -3.05 115.15 115.19 2wb1 h HIS 22 Ca 0.00 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2wb1 h HIS 22 Cb 0.00 0.03 -0.13 0.00 1.06 0.00 0.00 27.41 28.37 2wb1 h HIS 22 CO 0.00 -0.02 -0.54 1.15 0.86 0.00 0.00 177.93 179.38 2wb1 h THR 23 N 0.12 0.00 0.48 2.45 2.02 -2.00 0.10 112.91 116.09 2wb1 h THR 23 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2wb1 h THR 23 Cb 0.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2wb1 h THR 23 CO -0.21 0.00 -0.23 0.25 0.37 0.00 0.00 175.52 175.70 2wb1 h LEU 24 N -0.03 -0.54 -1.29 2.58 5.85 -1.97 -3.28 115.31 116.62 2wb1 h LEU 24 Ca 0.19 -0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.14 2wb1 h LEU 24 Cb 0.46 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 2wb1 h LEU 24 CO -0.92 -0.13 0.66 1.23 -0.34 0.00 0.00 178.44 178.94 2wb1 h GLY 25 N -1.09 1.36 1.57 3.75 0.00 -1.28 0.18 103.07 107.55 2wb1 h GLY 25 Ca -0.07 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2wb1 h GLY 25 CO 0.11 -0.18 -0.64 -0.57 0.00 0.00 0.00 176.54 175.26 2wb1 h ASN 26 N 0.41 0.50 -0.06 0.19 -1.24 -1.12 -2.93 115.58 111.33 2wb1 h ASN 26 Ca 0.62 -0.30 -0.19 0.00 0.71 0.00 0.00 56.30 57.14 2wb1 h ASN 26 Cb 1.52 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.43 2wb1 h ASN 26 CO -0.34 1.01 -0.65 0.25 -1.29 0.00 0.00 177.43 176.40 2wb1 h LEU 27 N 0.32 0.79 0.47 0.34 5.85 -0.74 -1.82 115.31 120.52 2wb1 h LEU 27 Ca -0.01 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2wb1 h LEU 27 Cb 1.19 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2wb1 h LEU 27 CO 0.11 1.23 -0.23 0.40 -0.34 0.00 0.00 178.44 179.62 2wb1 h ILE 28 N 0.50 0.38 -0.25 4.05 2.04 -1.42 -2.70 117.51 120.11 2wb1 h ILE 28 Ca -0.02 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2wb1 h ILE 28 Cb 1.25 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2wb1 h ILE 28 CO 0.13 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.51 2wb1 h ALA 29 N -0.68 1.90 0.00 1.87 0.00 -1.59 -0.68 119.26 120.08 2wb1 h ALA 29 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2wb1 h ALA 29 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wb1 h ALA 29 CO 0.11 0.07 -0.45 0.78 0.00 0.00 0.00 179.25 179.76 2wb1 h GLY 30 N 0.27 0.00 -2.97 0.00 0.00 -1.34 -2.35 103.07 96.69 2wb1 h GLY 30 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2wb1 h GLY 30 CO -0.02 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.93 2wb1 n THR 31 N -3.80 2.04 -0.00 4.70 -1.04 -0.30 -4.00 114.28 111.87 2wb1 n THR 31 Ca -0.01 -1.10 0.01 0.00 -2.04 0.00 0.00 64.05 60.92 2wb1 n THR 31 Cb 0.50 -0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 68.79 2wb1 n THR 31 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wb1 n LEU 32 N 0.65 0.00 0.16 -4.42 4.77 -0.90 -4.39 117.00 112.87 2wb1 n LEU 32 Ca 0.22 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 2wb1 n LEU 32 Cb 0.95 0.01 0.23 0.00 -2.33 0.00 0.00 43.42 42.28 2wb1 n LEU 32 CO 0.25 0.01 0.58 0.03 -1.33 0.00 0.00 177.39 176.92 2wb1 h ARG 33 N 0.00 0.00 -0.18 3.23 3.08 -1.66 -3.20 114.38 115.65 2wb1 h ARG 33 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2wb1 h ARG 33 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2wb1 h ARG 33 CO 0.00 0.49 -0.07 0.87 -1.07 0.00 0.00 179.97 180.19 2wb1 h LYS 34 N 0.00 0.38 -6.20 0.04 1.57 -1.80 -3.44 116.57 107.12 2wb1 h LYS 34 Ca -0.00 -0.16 -0.56 0.00 -1.87 0.00 0.00 60.65 58.06 2wb1 h LYS 34 Cb 1.05 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.36 2wb1 h LYS 34 CO 0.06 0.66 1.34 0.42 -0.57 0.00 0.00 179.45 181.37 2wb1 s ILE 35 N -4.63 3.04 0.26 1.86 1.01 -1.21 -4.93 121.20 116.60 2wb1 s ILE 35 Ca -0.14 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2wb1 s ILE 35 Cb 0.06 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 2wb1 s ILE 35 CO 0.75 -0.01 1.34 -0.44 0.00 0.00 0.00 174.94 176.57 2wb1 s SER 36 N 6.08 6.80 0.00 3.58 0.01 -1.26 -2.10 113.70 126.80 2wb1 s SER 36 Ca 0.93 2.57 0.00 0.00 1.31 0.00 0.00 55.95 60.76 2wb1 s SER 36 Cb -0.38 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.22 2wb1 s SER 36 CO 0.38 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2wb1 n GLY 37 N 1.72 2.82 3.61 3.44 0.00 -1.26 -4.80 105.19 110.72 2wb1 n GLY 37 Ca 0.04 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2wb1 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 38 N -0.83 4.07 -0.12 1.61 1.01 -0.89 0.76 120.40 126.01 2wb1 s VAL 38 Ca 0.00 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.86 2wb1 s VAL 38 Cb 0.00 -4.30 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 2wb1 s VAL 38 CO 0.00 -0.73 0.73 -1.28 0.00 0.00 0.00 175.10 173.83 2wb1 h SER 39 N 9.82 0.14 -3.54 3.32 0.87 -0.13 -3.47 113.55 120.56 2wb1 h SER 39 Ca -0.26 -0.93 -0.33 0.00 -1.23 0.00 0.00 61.79 59.04 2wb1 h SER 39 Cb 1.09 -0.05 -0.33 0.00 -0.44 0.00 0.00 62.40 62.67 2wb1 h SER 39 CO 1.08 1.18 -0.74 0.12 -0.53 0.00 0.00 176.83 177.94 2wb1 s PHE 40 N -2.30 0.28 -0.19 2.24 5.36 -0.76 -5.03 117.98 117.58 2wb1 s PHE 40 Ca -0.19 0.00 -0.12 0.00 -0.96 0.00 0.00 56.93 55.67 2wb1 s PHE 40 Cb -0.01 -0.36 0.06 0.00 -0.34 0.00 0.00 43.02 42.37 2wb1 s PHE 40 CO 0.72 -0.11 0.47 0.00 -1.46 0.00 0.00 175.22 174.84 2wb1 s ALA 41 N 0.86 -1.22 0.16 11.12 0.00 -1.26 -0.44 121.76 130.99 2wb1 s ALA 41 Ca -0.09 1.65 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 2wb1 s ALA 41 Cb -0.12 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.05 2wb1 s ALA 41 CO -0.02 -0.28 0.49 -1.54 0.00 0.00 0.00 175.76 174.42 2wb1 s SER 42 N 1.23 -0.32 0.40 0.00 1.04 -1.12 -4.84 113.70 110.08 2wb1 s SER 42 Ca -0.08 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.11 2wb1 s SER 42 Cb -0.07 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2wb1 s SER 42 CO -0.11 -0.96 0.22 -0.72 0.98 0.00 0.00 173.24 172.65 2wb1 s TYR 43 N -3.82 2.66 0.13 5.02 -0.85 -1.26 0.33 117.35 119.56 2wb1 s TYR 43 Ca 0.05 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 55.83 2wb1 s TYR 43 Cb 0.00 -1.94 0.07 0.00 0.38 0.00 0.00 41.96 40.47 2wb1 s TYR 43 CO -0.08 0.14 0.90 1.52 -1.52 0.00 0.00 175.55 176.50 2wb1 s TYR 44 N -2.52 -0.21 -0.34 -3.49 -0.00 0.22 -4.96 117.35 106.04 2wb1 s TYR 44 Ca 0.42 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.07 57.36 2wb1 s TYR 44 Cb 0.00 0.62 0.03 0.00 -0.00 0.00 0.00 41.96 42.61 2wb1 s TYR 44 CO 0.24 -0.80 0.13 -1.14 -0.00 0.00 0.00 175.55 173.98 2wb1 s GLN 45 N -3.34 2.74 0.48 -3.49 0.74 -1.26 -0.62 119.66 114.92 2wb1 s GLN 45 Ca 0.10 -1.10 0.21 0.00 0.05 0.00 0.00 55.36 54.61 2wb1 s GLN 45 Cb -0.02 -3.51 1.23 0.00 1.10 0.00 0.00 33.01 31.81 2wb1 s GLN 45 CO -0.01 -0.64 1.96 -1.00 -0.55 0.00 0.00 175.29 175.05 2wb1 h PRO 46 N 8.28 0.20 -2.24 1.67 0.13 -1.93 -3.42 132.00 134.69 2wb1 h PRO 46 Ca -0.25 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2wb1 h PRO 46 Cb 1.09 -0.04 -0.22 0.00 0.13 0.00 0.00 31.00 31.96 2wb1 h PRO 46 CO 0.62 0.13 0.01 -1.58 -0.23 0.00 0.00 178.00 176.95 2wb1 s HIS 47 N -5.20 -0.69 0.19 1.56 2.46 -1.26 -5.07 115.29 107.27 2wb1 s HIS 47 Ca -0.06 1.67 -0.11 0.00 0.47 0.00 0.00 55.06 57.03 2wb1 s HIS 47 Cb 0.20 0.24 0.12 0.00 -0.13 0.00 0.00 32.58 33.01 2wb1 s HIS 47 CO 0.75 -0.33 1.78 -1.35 -2.47 0.00 0.00 174.74 173.12 2wb1 h PRO 48 N 5.22 0.98 0.00 2.88 0.11 -1.97 -3.30 132.00 135.93 2wb1 h PRO 48 Ca -0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2wb1 h PRO 48 Cb 1.17 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2wb1 h PRO 48 CO 0.12 0.77 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.57 2wb1 h LEU 49 N 0.95 0.00 -7.90 2.35 3.38 -1.99 -3.40 115.31 108.70 2wb1 h LEU 49 Ca 0.24 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.57 2wb1 h LEU 49 Cb 0.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.50 2wb1 h LEU 49 CO -0.03 0.04 -0.83 0.42 0.09 0.00 0.00 178.44 178.13 2wb1 s THR 50 N -3.76 1.80 -0.99 0.22 -4.23 -1.24 -5.07 115.64 102.36 2wb1 s THR 50 Ca 0.00 -0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 59.31 2wb1 s THR 50 Cb 0.10 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2wb1 s THR 50 CO 0.55 0.32 1.86 -0.62 -0.54 0.00 0.00 174.62 176.19 2wb1 s ASP 51 N 1.36 5.40 0.01 3.99 3.68 -1.26 -4.70 116.67 125.15 2wb1 s ASP 51 Ca 0.01 -1.06 0.01 0.00 2.13 0.00 0.00 52.55 53.64 2wb1 s ASP 51 Cb -0.15 -2.57 -0.01 0.00 -1.45 0.00 0.00 42.92 38.75 2wb1 s ASP 51 CO -0.10 -2.55 -0.02 -0.54 0.13 0.00 0.00 175.17 172.09 2wb1 s LYS 52 N 6.47 0.21 -0.07 4.34 1.02 -1.26 -3.24 119.74 127.21 2wb1 s LYS 52 Ca 0.65 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.41 2wb1 s LYS 52 Cb -0.04 -0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 2wb1 s LYS 52 CO 0.01 0.01 -0.14 0.96 -0.92 0.00 0.00 175.35 175.28 2wb1 s ILE 53 N -0.51 1.28 -0.20 2.17 -4.36 -1.16 -4.12 121.20 114.29 2wb1 s ILE 53 Ca -0.04 -0.55 -0.10 0.00 -0.26 0.00 0.00 60.65 59.69 2wb1 s ILE 53 Cb -0.04 -1.16 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 2wb1 s ILE 53 CO -0.00 0.39 0.13 -0.63 0.24 0.00 0.00 174.94 175.07 2wb1 s ILE 54 N 0.69 5.41 -0.11 8.37 1.01 0.21 -1.00 121.20 135.78 2wb1 s ILE 54 Ca -0.14 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2wb1 s ILE 54 Cb -0.16 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2wb1 s ILE 54 CO 0.04 0.45 -0.17 0.68 0.00 0.00 0.00 174.94 175.93 2wb1 s VAL 55 N 0.31 2.70 -0.09 2.92 -7.23 0.12 -0.61 120.40 118.53 2wb1 s VAL 55 Ca 0.08 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.41 2wb1 s VAL 55 Cb -0.11 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2wb1 s VAL 55 CO -0.02 0.54 0.11 -0.54 -0.31 0.00 0.00 175.10 174.89 2wb1 s LYS 56 N 0.19 3.31 -0.06 4.82 1.02 0.15 -2.15 119.74 127.03 2wb1 s LYS 56 Ca -0.10 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2wb1 s LYS 56 Cb -0.16 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2wb1 s LYS 56 CO 0.06 0.74 -0.03 0.42 -0.92 0.00 0.00 175.35 175.62 2wb1 s ILE 57 N -1.05 0.52 -0.39 2.17 1.09 -1.02 -2.79 121.20 119.73 2wb1 s ILE 57 Ca 0.17 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.67 2wb1 s ILE 57 Cb -0.12 -0.58 0.14 0.00 -1.06 0.00 0.00 42.46 40.84 2wb1 s ILE 57 CO 0.06 0.24 0.23 -0.22 -0.10 0.00 0.00 174.94 175.16 2wb1 s LEU 58 N 1.29 1.53 0.10 2.97 2.96 0.42 -2.22 118.68 125.73 2wb1 s LEU 58 Ca -0.05 -2.41 -0.19 0.00 -0.22 0.00 0.00 54.13 51.25 2wb1 s LEU 58 Cb -0.14 -0.59 -0.07 0.00 0.50 0.00 0.00 46.19 45.90 2wb1 s LEU 58 CO -0.02 -0.28 0.60 0.28 -1.32 0.00 0.00 176.35 175.61 2wb1 s THR 59 N 0.74 4.70 -0.21 3.68 -1.32 -1.14 0.62 115.64 122.72 2wb1 s THR 59 Ca 0.19 1.23 0.28 0.00 -1.21 0.00 0.00 61.69 62.19 2wb1 s THR 59 Cb -0.20 -3.90 0.32 0.00 -1.51 0.00 0.00 72.50 67.20 2wb1 s THR 59 CO -0.02 0.50 1.84 -2.24 -2.21 0.00 0.00 174.62 172.49 2wb1 h ASP 60 N 4.34 0.00 0.00 8.08 -0.00 0.04 -3.45 116.42 125.43 2wb1 h ASP 60 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 2wb1 h ASP 60 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2wb1 h ASP 60 CO 0.64 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.49 2wb1 n GLY 61 N 0.08 -0.16 0.12 7.15 0.00 -1.26 -5.05 105.19 106.07 2wb1 n GLY 61 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wb1 h SER 62 N 0.00 -0.19 -3.27 1.61 0.02 -1.88 -3.45 113.55 106.39 2wb1 h SER 62 Ca 0.00 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2wb1 h SER 62 Cb 0.00 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.47 2wb1 h SER 62 CO 0.00 0.16 -0.62 -0.63 -1.14 0.00 0.00 176.83 174.60 2wb1 s ILE 63 N -2.25 4.32 0.78 3.27 1.01 -1.26 -5.11 121.20 121.95 2wb1 s ILE 63 Ca -0.03 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 2wb1 s ILE 63 Cb 0.00 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.54 2wb1 s ILE 63 CO 0.10 0.26 1.20 0.00 0.00 0.00 0.00 174.94 176.50 2wb1 s ALA 64 N -1.23 1.96 0.08 9.38 0.00 -1.26 -4.78 121.76 125.90 2wb1 s ALA 64 Ca 0.24 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2wb1 s ALA 64 Cb -0.12 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 2wb1 s ALA 64 CO 0.15 -2.12 1.68 -1.00 0.00 0.00 0.00 175.76 174.48 2wb1 h PRO 65 N -0.68 -0.43 -0.41 0.00 0.13 -1.88 -1.16 132.00 127.58 2wb1 h PRO 65 Ca -0.47 0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2wb1 h PRO 65 Cb 1.29 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.44 2wb1 h PRO 65 CO 0.48 -0.28 -0.10 0.87 -0.23 0.00 0.00 178.00 178.73 2wb1 h LYS 66 N -0.45 -0.00 0.00 0.86 1.57 -1.92 -2.39 116.57 114.23 2wb1 h LYS 66 Ca -0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2wb1 h LYS 66 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2wb1 h LYS 66 CO 0.07 -0.00 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.19 2wb1 h ASP 67 N -0.00 0.00 -0.67 0.86 3.32 -1.93 -2.99 116.42 115.01 2wb1 h ASP 67 Ca 0.20 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.29 2wb1 h ASP 67 Cb 0.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2wb1 h ASP 67 CO -0.42 0.32 0.44 0.00 -1.72 0.00 0.00 179.24 177.87 2wb1 h ALA 68 N 1.68 1.68 0.08 3.45 0.00 -0.66 -2.10 119.26 123.38 2wb1 h ALA 68 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wb1 h ALA 68 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wb1 h ALA 68 CO 0.04 0.23 -0.04 1.25 0.00 0.00 0.00 179.25 180.74 2wb1 h LEU 69 N 0.75 -0.10 -1.18 0.00 5.85 -1.53 -2.12 115.31 116.98 2wb1 h LEU 69 Ca 0.28 -0.48 0.16 0.00 0.84 0.00 0.00 57.88 58.67 2wb1 h LEU 69 Cb 0.16 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 2wb1 h LEU 69 CO -0.08 0.49 0.60 -0.07 -0.34 0.00 0.00 178.44 179.03 2wb1 h LEU 70 N -0.73 0.72 -1.11 2.25 4.07 -1.58 0.21 115.31 119.14 2wb1 h LEU 70 Ca -0.01 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 2wb1 h LEU 70 Cb 0.57 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 2wb1 h LEU 70 CO 0.02 0.34 -0.02 0.11 -1.08 0.00 0.00 178.44 177.81 2wb1 h LYS 71 N 0.75 0.60 -0.03 1.13 6.56 -1.33 -2.90 116.57 121.35 2wb1 h LYS 71 Ca 0.49 -0.14 -0.23 0.00 -1.06 0.00 0.00 60.65 59.71 2wb1 h LYS 71 Cb 0.76 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 32.34 2wb1 h LYS 71 CO -0.26 0.64 -0.91 0.00 -2.06 0.00 0.00 179.45 176.86 2wb1 h ALA 72 N 1.42 0.36 -0.30 3.86 0.00 0.01 -3.19 119.26 121.40 2wb1 h ALA 72 Ca 0.12 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2wb1 h ALA 72 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wb1 h ALA 72 CO 0.02 0.77 0.15 0.82 0.00 0.00 0.00 179.25 181.01 2wb1 h ILE 73 N 0.30 0.99 -0.74 0.00 1.08 -0.78 -2.58 117.51 115.78 2wb1 h ILE 73 Ca -0.08 -0.11 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2wb1 h ILE 73 Cb 1.54 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 2wb1 h ILE 73 CO 0.16 0.06 0.21 -0.08 -0.69 0.00 0.00 178.15 177.82 2wb1 h GLU 74 N 0.31 1.16 -0.77 2.37 4.22 -1.61 -1.91 114.58 118.35 2wb1 h GLU 74 Ca 0.13 -0.26 0.08 0.00 0.08 0.00 0.00 59.36 59.38 2wb1 h GLU 74 Cb 0.04 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 2wb1 h GLU 74 CO -0.09 1.00 0.44 1.15 -2.18 0.00 0.00 179.01 179.33 2wb1 h THR 75 N 1.11 0.95 -0.15 0.32 2.02 -1.51 -2.33 112.91 113.33 2wb1 h THR 75 Ca 0.24 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2wb1 h THR 75 Cb 0.33 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2wb1 h THR 75 CO -0.00 0.14 -0.33 0.58 0.37 0.00 0.00 175.52 176.27 2wb1 h VAL 76 N 0.78 1.28 -0.42 3.16 2.07 -1.00 0.40 116.25 122.52 2wb1 h VAL 76 Ca 0.36 -1.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 2wb1 h VAL 76 Cb 0.27 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2wb1 h VAL 76 CO -0.21 0.41 -0.08 -0.09 0.02 0.00 0.00 177.57 177.62 2wb1 h ARG 77 N 0.26 0.79 -0.12 1.57 2.43 -0.86 1.08 114.38 119.53 2wb1 h ARG 77 Ca 0.03 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2wb1 h ARG 77 Cb 0.72 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2wb1 h ARG 77 CO 0.05 0.90 -0.38 0.28 -1.51 0.00 0.00 179.97 179.32 2wb1 h VAL 78 N 0.61 1.30 0.00 0.20 2.07 -1.26 1.79 116.25 120.95 2wb1 h VAL 78 Ca 0.11 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 2wb1 h VAL 78 Cb 0.60 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2wb1 h VAL 78 CO 0.04 0.44 -0.08 -0.03 0.02 0.00 0.00 177.57 177.95 2wb1 h MET 79 N 0.22 0.00 0.00 1.57 4.05 -0.57 -2.91 114.93 117.29 2wb1 h MET 79 Ca 0.02 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.22 2wb1 h MET 79 Cb 0.78 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 2wb1 h MET 79 CO 0.06 0.08 -1.41 0.00 0.23 0.00 0.00 176.91 175.86 2wb1 n ALA 80 N -2.13 0.83 0.11 0.39 0.00 0.37 -3.80 120.51 116.28 2wb1 n ALA 80 Ca 0.02 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.85 2wb1 n ALA 80 Cb 0.42 -0.24 0.50 0.00 0.00 0.00 0.00 19.45 20.13 2wb1 n ALA 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wb1 h SER 81 N -1.00 0.26 1.15 0.00 0.02 0.25 0.15 113.55 114.38 2wb1 h SER 81 Ca -0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2wb1 h SER 81 Cb 1.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2wb1 h SER 81 CO -0.21 0.22 0.00 1.57 -1.14 0.00 0.00 176.83 177.28 2wb1 n HIS 82 N -4.47 0.58 0.07 3.45 -0.00 -1.10 -0.89 115.22 112.87 2wb1 n HIS 82 Ca 0.00 0.18 -0.23 0.00 0.46 0.00 0.00 57.72 58.14 2wb1 n HIS 82 Cb 0.10 -0.80 -0.15 0.00 -0.12 0.00 0.00 29.99 29.03 2wb1 n HIS 82 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 2wb1 h TYR 83 N 0.00 0.67 -0.71 1.57 3.20 -0.87 -3.28 116.97 117.55 2wb1 h TYR 83 Ca 0.00 -0.49 0.07 0.00 3.14 0.00 0.00 58.73 61.45 2wb1 h TYR 83 Cb 0.57 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 2wb1 h TYR 83 CO 0.00 1.58 0.38 0.82 -1.64 0.00 0.00 178.16 179.31 2wb1 h ILE 84 N -0.06 0.93 -0.67 1.81 1.08 -0.97 -3.06 117.51 116.57 2wb1 h ILE 84 Ca -0.30 -0.23 0.13 0.00 -0.39 0.00 0.00 64.86 64.07 2wb1 h ILE 84 Cb 1.96 0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.81 2wb1 h ILE 84 CO 0.16 0.12 0.20 0.44 -0.69 0.00 0.00 178.15 178.38 2wb1 h ASP 85 N 0.68 0.10 0.71 1.72 3.32 -1.11 -1.69 116.42 120.15 2wb1 h ASP 85 Ca 0.33 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2wb1 h ASP 85 Cb 0.26 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2wb1 h ASP 85 CO -0.22 0.04 -0.33 -0.62 -1.72 0.00 0.00 179.24 176.40 2wb1 n GLU 86 N -5.09 0.02 -0.11 3.56 1.02 -1.16 -3.96 120.64 114.93 2wb1 n GLU 86 Ca 0.11 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 2wb1 n GLU 86 Cb 0.37 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2wb1 n GLU 86 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wb1 n ILE 87 N -1.54 1.24 -0.40 -3.67 5.41 -1.11 -3.99 119.36 115.30 2wb1 n ILE 87 Ca 0.06 -0.39 -0.08 0.00 1.00 0.00 0.00 62.75 63.34 2wb1 n ILE 87 Cb 0.34 -1.56 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 2wb1 n ILE 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2wb1 n LYS 88 N -3.61 -0.38 0.00 0.38 5.02 -0.65 -1.73 118.16 117.18 2wb1 n LYS 88 Ca -0.42 1.47 0.13 0.00 -2.02 0.00 0.00 58.31 57.47 2wb1 n LYS 88 Cb 0.86 -2.17 0.40 0.00 -0.02 0.00 0.00 35.03 34.09 2wb1 n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb1 n GLY 89 N -1.29 -1.05 0.16 0.72 0.00 -1.25 -3.95 105.19 98.52 2wb1 n GLY 89 Ca 0.04 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.87 2wb1 n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wb1 h LEU 90 N 0.43 0.00 0.01 0.99 5.85 -1.47 -3.36 115.31 117.77 2wb1 h LEU 90 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wb1 h LEU 90 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wb1 h LEU 90 CO 0.00 0.00 -0.01 0.71 -0.34 0.00 0.00 178.44 178.80 2wb1 h THR 91 N 0.00 0.00 0.00 1.05 1.35 -1.67 -3.51 112.91 110.13 2wb1 h THR 91 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2wb1 h THR 91 Cb 0.73 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2wb1 h THR 91 CO 0.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.56