#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywl n GLU 2 N 0.00 -2.05 -2.94 2.12 4.71 -1.26 -4.57 120.64 116.66 1ywl n GLU 2 Ca 0.00 -0.56 -0.05 0.00 -0.01 0.00 0.00 57.16 56.53 1ywl n GLU 2 Cb 0.00 -0.88 0.01 0.00 -1.01 0.00 0.00 31.44 29.56 1ywl n GLU 2 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ywl n ASN 3 N -2.87 -7.88 0.00 1.62 4.13 -1.26 -4.89 115.26 104.10 1ywl n ASN 3 Ca 0.05 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1ywl n ASN 3 Cb 0.23 -5.34 0.00 0.00 -1.54 0.00 0.00 39.78 33.13 1ywl n ASN 3 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ywl n LYS 4 N -0.86 0.00 0.00 3.52 4.81 -1.26 -4.89 118.16 119.48 1ywl n LYS 4 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1ywl n LYS 4 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1ywl n LYS 4 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ywl n LYS 5 N 0.00 0.00 -1.76 1.64 2.85 -1.26 -4.97 118.16 114.66 1ywl n LYS 5 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ywl n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1ywl n LYS 5 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1ywl n SER 6 N -3.74 -9.09 -4.52 -5.58 3.41 -1.26 -4.73 113.62 88.11 1ywl n SER 6 Ca 0.00 1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 59.48 1ywl n SER 6 Cb 0.00 -4.79 -0.03 0.00 -0.26 0.00 0.00 64.21 59.13 1ywl n SER 6 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ywl s HIS 7 N -2.13 2.43 -0.19 7.33 3.76 -0.30 -4.49 115.29 121.70 1ywl s HIS 7 Ca 0.00 -0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.36 1ywl s HIS 7 Cb 0.00 -4.52 -0.00 0.00 1.11 0.00 0.00 32.58 29.17 1ywl s HIS 7 CO 0.00 -1.93 1.10 0.71 -0.85 0.00 0.00 174.74 173.77 1ywl s TYR 8 N 5.12 3.24 -0.35 1.40 2.02 -0.82 0.16 117.35 128.11 1ywl s TYR 8 Ca 0.31 1.36 -0.12 0.00 -0.37 0.00 0.00 57.07 58.25 1ywl s TYR 8 Cb -0.11 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1ywl s TYR 8 CO 0.12 -0.79 0.22 0.12 -1.57 0.00 0.00 175.55 173.65 1ywl s PHE 9 N 3.06 3.22 -0.07 2.71 5.36 0.42 -2.33 117.98 130.34 1ywl s PHE 9 Ca 0.48 -0.57 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1ywl s PHE 9 Cb -0.18 -2.45 -0.00 0.00 -0.34 0.00 0.00 43.02 40.05 1ywl s PHE 9 CO 0.11 -0.50 -0.21 1.52 -1.46 0.00 0.00 175.22 174.67 1ywl s TYR 10 N 1.64 2.19 -0.27 10.12 1.13 -0.96 -2.35 117.35 128.85 1ywl s TYR 10 Ca 0.04 -0.76 -0.02 0.00 -1.41 0.00 0.00 57.07 54.92 1ywl s TYR 10 Cb -0.18 -1.47 0.03 0.00 -1.10 0.00 0.00 41.96 39.24 1ywl s TYR 10 CO 0.08 -0.28 -0.02 0.08 -2.51 0.00 0.00 175.55 172.90 1ywl s VAL 11 N 0.17 3.07 0.31 -3.49 1.01 -1.24 -2.30 120.40 117.92 1ywl s VAL 11 Ca -0.10 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1ywl s VAL 11 Cb -0.15 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1ywl s VAL 11 CO 0.05 0.08 0.59 -0.76 0.00 0.00 0.00 175.10 175.06 1ywl s LEU 12 N 1.33 4.02 -0.06 3.92 1.43 -0.79 -3.65 118.68 124.89 1ywl s LEU 12 Ca -0.01 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1ywl s LEU 12 Cb -0.18 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1ywl s LEU 12 CO -0.02 -0.22 0.11 -0.22 0.23 0.00 0.00 176.35 176.22 1ywl s LEU 13 N -3.56 0.59 0.00 1.79 2.96 0.74 -1.62 118.68 119.58 1ywl s LEU 13 Ca 0.45 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1ywl s LEU 13 Cb -0.11 0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.82 1ywl s LEU 13 CO 0.30 -0.17 0.37 0.00 -1.32 0.00 0.00 176.35 175.52 1ywl n GLN 15 N -1.64 0.08 -0.82 0.00 3.00 -1.26 -1.55 117.38 115.19 1ywl n GLN 15 Ca -0.01 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1ywl n GLN 15 Cb 0.55 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.68 1ywl n GLN 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1ywl n ASP 16 N -1.42 5.47 -3.68 1.08 8.00 -1.26 -4.96 116.55 119.78 1ywl n ASP 16 Ca 0.05 -2.83 -0.27 0.00 0.71 0.00 0.00 54.79 52.46 1ywl n ASP 16 Cb 0.17 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.62 1ywl n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ywl n GLY 17 N 0.70 -1.12 3.05 0.44 0.00 -0.60 -4.95 105.19 102.71 1ywl n GLY 17 Ca 0.27 0.49 -0.32 0.00 0.00 0.00 0.00 46.02 46.46 1ywl n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ywl s SER 18 N -3.23 4.77 -0.65 1.61 0.15 -1.26 -4.93 113.70 110.16 1ywl s SER 18 Ca 0.24 -1.92 -0.24 0.00 0.70 0.00 0.00 55.95 54.72 1ywl s SER 18 Cb -0.10 -1.64 0.05 0.00 -1.71 0.00 0.00 66.02 62.62 1ywl s SER 18 CO 0.87 -0.35 1.05 -0.36 1.20 0.00 0.00 173.24 175.65 1ywl s PHE 19 N 1.00 2.60 -0.70 3.44 0.40 -1.24 -3.74 117.98 119.73 1ywl s PHE 19 Ca 0.05 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 1ywl s PHE 19 Cb -0.20 -4.34 0.18 0.00 0.51 0.00 0.00 43.02 39.17 1ywl s PHE 19 CO -0.06 -1.69 0.63 -0.47 0.70 0.00 0.00 175.22 174.32 1ywl s TYR 20 N 4.51 3.57 -0.33 0.36 5.04 -0.64 -4.88 117.35 124.98 1ywl s TYR 20 Ca 0.28 -1.89 -0.12 0.00 -2.44 0.00 0.00 57.07 52.91 1ywl s TYR 20 Cb -0.13 -3.72 -0.02 0.00 0.35 0.00 0.00 41.96 38.44 1ywl s TYR 20 CO 0.14 -0.98 0.22 0.20 -1.34 0.00 0.00 175.55 173.79 1ywl s GLY 21 N 2.41 1.94 0.05 8.97 0.00 -1.25 -1.88 107.32 117.55 1ywl s GLY 21 Ca 0.13 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1ywl s GLY 21 CO -0.05 0.75 -0.11 -0.32 0.00 0.00 0.00 173.10 173.37 1ywl s GLY 22 N 1.70 0.66 -0.21 0.20 0.00 -0.97 -4.96 107.32 103.73 1ywl s GLY 22 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1ywl s GLY 22 CO 0.09 -0.81 -0.14 -2.52 0.00 0.00 0.00 173.10 169.72 1ywl s TYR 23 N -1.09 2.94 0.22 1.90 1.13 -1.26 -2.25 117.35 118.94 1ywl s TYR 23 Ca -0.03 -1.70 -0.21 0.00 -1.41 0.00 0.00 57.07 53.71 1ywl s TYR 23 Cb -0.09 -1.96 0.07 0.00 -1.10 0.00 0.00 41.96 38.88 1ywl s TYR 23 CO 0.01 -0.79 1.01 -0.08 -2.51 0.00 0.00 175.55 173.20 1ywl s THR 24 N 1.28 0.00 -0.08 -3.49 -1.32 -0.99 -4.86 115.64 106.18 1ywl s THR 24 Ca 0.01 -0.63 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1ywl s THR 24 Cb -0.15 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.81 1ywl s THR 24 CO -0.09 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 172.65 1ywl s THR 25 N -2.06 3.49 -0.58 5.08 -4.23 -1.26 -1.95 115.64 114.13 1ywl s THR 25 Ca 0.22 -0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1ywl s THR 25 Cb -0.03 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1ywl s THR 25 CO 0.07 0.57 0.52 -0.62 -0.54 0.00 0.00 174.62 174.62 1ywl n GLU 26 N 2.58 -1.18 0.19 3.99 1.02 -1.26 -4.89 120.64 121.09 1ywl n GLU 26 Ca -0.18 0.76 0.07 0.00 -0.02 0.00 0.00 57.16 57.79 1ywl n GLU 26 Cb 0.53 -4.18 0.27 0.00 -0.02 0.00 0.00 31.44 28.04 1ywl n GLU 26 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ywl h PRO 27 N -0.31 0.00 -0.77 3.49 0.13 -1.97 -2.68 132.00 129.89 1ywl h PRO 27 Ca -0.24 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1ywl h PRO 27 Cb 1.12 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1ywl h PRO 27 CO 0.24 0.33 0.48 0.93 -0.23 0.00 0.00 178.00 179.75 1ywl h GLU 28 N 0.00 0.88 0.22 0.86 4.39 -1.98 1.46 114.58 120.41 1ywl h GLU 28 Ca -0.00 -0.05 -0.33 0.00 0.34 0.00 0.00 59.36 59.32 1ywl h GLU 28 Cb 1.01 -0.20 0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1ywl h GLU 28 CO 0.04 0.58 -1.42 0.00 -1.16 0.00 0.00 179.01 177.06 1ywl h ARG 29 N 0.91 0.57 -0.07 2.33 3.08 -1.94 -2.62 114.38 116.64 1ywl h ARG 29 Ca 0.32 -0.91 -0.07 0.00 0.07 0.00 0.00 59.98 59.38 1ywl h ARG 29 Cb 0.08 0.33 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ywl h ARG 29 CO -0.14 1.43 -0.30 -0.09 -1.07 0.00 0.00 179.97 179.80 1ywl h ARG 30 N 0.18 0.12 0.00 0.04 2.43 -1.11 -1.73 114.38 114.31 1ywl h ARG 30 Ca -0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1ywl h ARG 30 Cb 2.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1ywl h ARG 30 CO 0.27 0.42 0.00 -0.11 -1.51 0.00 0.00 179.97 179.04 1ywl n LEU 31 N -4.14 0.33 -0.32 3.80 7.94 0.50 -2.78 117.00 122.32 1ywl n LEU 31 Ca -0.02 0.61 0.29 0.00 -1.11 0.00 0.00 56.01 55.78 1ywl n LEU 31 Cb 0.38 -0.41 0.54 0.00 0.53 0.00 0.00 43.42 44.45 1ywl n LEU 31 CO 0.39 -0.41 1.02 0.00 -1.11 0.00 0.00 177.39 177.28 1ywl h THR 32 N 0.00 0.01 0.15 1.96 1.03 -1.54 0.45 112.91 114.97 1ywl h THR 32 Ca 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.41 1ywl h THR 32 Cb 0.00 -0.00 -0.04 0.00 -1.07 0.00 0.00 68.15 67.03 1ywl h THR 32 CO 0.00 0.00 -0.45 -0.08 -0.01 0.00 0.00 175.52 174.99 1ywl h GLU 33 N 0.01 -0.67 -0.09 0.00 4.81 -1.38 0.66 114.58 117.93 1ywl h GLU 33 Ca 0.80 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 60.12 1ywl h GLU 33 Cb 2.06 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 31.53 1ywl h GLU 33 CO -0.79 -0.45 -0.46 1.25 -0.73 0.00 0.00 179.01 177.84 1ywl h HIS 34 N -0.70 -1.32 -0.17 0.92 2.76 0.06 0.82 115.15 117.53 1ywl h HIS 34 Ca 0.01 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1ywl h HIS 34 Cb 0.71 0.59 -0.07 0.00 1.55 0.00 0.00 27.41 30.19 1ywl h HIS 34 CO -0.37 -0.51 -0.40 -0.91 -1.30 0.00 0.00 177.93 174.44 1ywl h ASN 35 N -0.55 -1.25 -0.65 3.26 2.35 -1.03 0.70 115.58 118.41 1ywl h ASN 35 Ca 0.06 0.17 -0.40 0.00 -0.55 0.00 0.00 56.30 55.58 1ywl h ASN 35 Cb 0.66 0.52 -0.16 0.00 0.05 0.00 0.00 38.32 39.38 1ywl h ASN 35 CO -0.38 -0.40 0.47 -0.24 -1.65 0.00 0.00 177.43 175.22 1ywl n SER 36 N -5.43 6.62 0.04 5.81 2.88 0.23 -4.21 113.62 119.56 1ywl n SER 36 Ca -0.03 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 1ywl n SER 36 Cb 0.35 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1ywl n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ywl n GLY 37 N 0.30 -0.04 0.27 0.46 0.00 0.28 -4.83 105.19 101.63 1ywl n GLY 37 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 1ywl n GLY 37 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ywl h THR 38 N 0.00 0.00 -1.29 2.61 2.02 -1.66 -3.46 112.91 111.13 1ywl h THR 38 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1ywl h THR 38 Cb 0.00 0.00 -0.28 0.00 -1.74 0.00 0.00 68.15 66.13 1ywl h THR 38 CO 0.00 0.00 0.44 -0.83 0.37 0.00 0.00 175.52 175.50 1ywl s GLY 39 N -1.64 0.11 -0.16 2.16 0.00 -1.26 -5.18 107.32 101.35 1ywl s GLY 39 Ca -0.09 3.29 -0.35 0.00 0.00 0.00 0.00 44.72 47.57 1ywl s GLY 39 CO 0.33 2.77 1.40 0.00 0.00 0.00 0.00 173.10 177.61 1ywl s ALA 40 N 1.49 -2.38 0.00 3.20 0.00 -1.26 -4.91 121.76 117.90 1ywl s ALA 40 Ca -0.07 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1ywl s ALA 40 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1ywl s ALA 40 CO -0.14 -0.87 0.00 1.17 0.00 0.00 0.00 175.76 175.92 1ywl n LYS 41 N -0.31 0.00 -3.35 0.00 4.81 -1.26 -5.02 118.16 113.03 1ywl n LYS 41 Ca -0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.26 1ywl n LYS 41 Cb 0.61 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.59 1ywl n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1ywl s TYR 42 N -0.62 -0.57 -0.36 5.64 5.04 -1.26 -5.08 117.35 120.14 1ywl s TYR 42 Ca 0.00 -0.37 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 1ywl s TYR 42 Cb 0.00 -0.32 0.17 0.00 0.35 0.00 0.00 41.96 42.15 1ywl s TYR 42 CO 0.00 -0.98 0.48 0.99 -1.34 0.00 0.00 175.55 174.70 1ywl s THR 43 N 1.90 -0.64 -0.11 4.34 2.01 -1.26 -5.03 115.64 116.84 1ywl s THR 43 Ca 0.14 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1ywl s THR 43 Cb -0.14 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1ywl s THR 43 CO -0.16 -0.30 0.14 0.03 -0.69 0.00 0.00 174.62 173.64 1ywl h ARG 44 N 7.34 0.00 -0.71 4.92 2.47 -2.05 -3.36 114.38 122.99 1ywl h ARG 44 Ca 0.02 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1ywl h ARG 44 Cb 1.12 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.32 1ywl h ARG 44 CO 0.18 0.20 -0.45 1.37 0.56 0.00 0.00 179.97 181.83 1ywl h LEU 45 N -1.00 -1.57 -2.15 3.04 -0.00 -2.05 -3.47 115.31 108.11 1ywl h LEU 45 Ca -0.00 0.27 0.01 0.00 -0.00 0.00 0.00 57.88 58.15 1ywl h LEU 45 Cb 0.21 0.73 -0.10 0.00 -0.00 0.00 0.00 40.66 41.50 1ywl h LEU 45 CO -0.00 -0.31 -1.30 0.00 -0.00 0.00 0.00 178.44 176.83 1ywl n ALA 46 N -3.22 -3.49 -0.01 0.17 0.00 -1.26 -5.02 120.51 107.67 1ywl n ALA 46 Ca 0.03 1.92 -0.01 0.00 0.00 0.00 0.00 53.44 55.39 1ywl n ALA 46 Cb 0.35 -3.79 -0.00 0.00 0.00 0.00 0.00 19.45 16.00 1ywl n ALA 46 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ywl h LYS 47 N 3.40 0.00 -6.24 0.00 1.57 -1.94 -3.46 116.57 109.89 1ywl h LYS 47 Ca -0.44 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.70 1ywl h LYS 47 Cb 1.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.42 1ywl h LYS 47 CO 0.01 0.00 -0.21 0.54 -0.57 0.00 0.00 179.45 179.21 1ywl n ARG 48 N -2.76 0.67 -2.97 3.15 1.74 -1.26 -3.52 116.66 111.71 1ywl n ARG 48 Ca -0.01 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1ywl n ARG 48 Cb 0.05 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1ywl n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ywl n ARG 49 N 0.85 -2.37 -2.53 5.56 0.63 -1.26 -4.93 116.66 112.60 1ywl n ARG 49 Ca 0.14 2.03 -0.36 0.00 -0.92 0.00 0.00 57.85 58.74 1ywl n ARG 49 Cb 0.29 -4.35 -0.04 0.00 0.45 0.00 0.00 32.46 28.81 1ywl n ARG 49 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ywl s PRO 50 N -2.08 4.14 -0.20 -0.14 0.04 -1.23 -5.02 135.00 130.50 1ywl s PRO 50 Ca 0.17 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1ywl s PRO 50 Cb -0.03 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1ywl s PRO 50 CO 0.70 -0.17 -0.13 0.14 0.04 0.00 0.00 177.00 177.58 1ywl s VAL 51 N -1.67 1.78 0.14 -0.36 -7.23 -1.26 -3.80 120.40 107.99 1ywl s VAL 51 Ca 0.58 -1.03 0.09 0.00 -1.81 0.00 0.00 61.98 59.82 1ywl s VAL 51 Cb -0.22 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1ywl s VAL 51 CO 0.27 0.25 -0.18 0.27 -0.31 0.00 0.00 175.10 175.41 1ywl s ILE 52 N 1.35 2.79 -0.21 -0.62 -5.25 0.15 -4.89 121.20 114.52 1ywl s ILE 52 Ca -0.00 -1.61 -0.01 0.00 -0.99 0.00 0.00 60.65 58.04 1ywl s ILE 52 Cb -0.16 -2.30 0.01 0.00 2.95 0.00 0.00 42.46 42.97 1ywl s ILE 52 CO -0.09 0.04 -0.13 -0.32 -1.79 0.00 0.00 174.94 172.66 1ywl s MET 53 N -2.30 3.07 -0.00 0.37 1.75 -1.26 -0.19 119.30 120.74 1ywl s MET 53 Ca 0.19 -0.80 0.07 0.00 -1.25 0.00 0.00 55.69 53.90 1ywl s MET 53 Cb -0.10 -2.78 -0.09 0.00 2.84 0.00 0.00 34.83 34.70 1ywl s MET 53 CO 0.10 -0.24 0.27 0.44 -0.65 0.00 0.00 175.02 174.94 1ywl n ILE 54 N 4.68 0.00 -4.86 10.11 -0.00 -1.24 -4.98 119.36 123.07 1ywl n ILE 54 Ca -0.19 -0.29 -0.26 0.00 -0.00 0.00 0.00 62.75 62.01 1ywl n ILE 54 Cb 0.50 0.83 -0.16 0.00 -0.00 0.00 0.00 39.64 40.80 1ywl n ILE 54 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1ywl s HIS 55 N -1.89 1.70 -0.27 4.28 3.76 -1.26 -4.97 115.29 116.64 1ywl s HIS 55 Ca 0.01 -0.42 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1ywl s HIS 55 Cb 0.05 -1.13 0.15 0.00 1.11 0.00 0.00 32.58 32.77 1ywl s HIS 55 CO 0.30 -0.11 0.42 0.95 -0.85 0.00 0.00 174.74 175.45 1ywl s THR 56 N -0.15 -0.67 -0.04 1.30 -4.23 -1.26 -3.60 115.64 106.99 1ywl s THR 56 Ca 0.01 -0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.06 1ywl s THR 56 Cb -0.10 -0.92 0.08 0.00 1.34 0.00 0.00 72.50 72.90 1ywl s THR 56 CO 0.01 -0.18 0.70 -1.61 -0.54 0.00 0.00 174.62 173.01 1ywl s GLU 57 N 2.59 1.04 0.29 3.99 2.02 -0.99 -5.05 118.70 122.59 1ywl s GLU 57 Ca 0.12 0.16 0.08 0.00 0.02 0.00 0.00 54.97 55.35 1ywl s GLU 57 Cb -0.14 0.49 -0.06 0.00 0.10 0.00 0.00 34.13 34.52 1ywl s GLU 57 CO -0.23 -0.34 -0.08 -1.59 0.02 0.00 0.00 175.26 173.04 1ywl s LYS 58 N -1.50 1.62 -0.02 1.61 0.00 -1.26 0.16 119.74 120.35 1ywl s LYS 58 Ca -0.09 -1.82 0.07 0.00 0.00 0.00 0.00 55.97 54.14 1ywl s LYS 58 Cb -0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 37.83 36.47 1ywl s LYS 58 CO 0.06 0.09 -0.23 -0.06 0.00 0.00 0.00 175.35 175.22 1ywl s PHE 59 N -2.87 2.03 -0.19 1.78 0.08 0.12 -4.89 117.98 114.05 1ywl s PHE 59 Ca 0.30 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.76 1ywl s PHE 59 Cb 0.03 -1.31 -0.21 0.00 -0.57 0.00 0.00 43.02 40.96 1ywl s PHE 59 CO 0.13 -0.04 0.27 1.49 -0.10 0.00 0.00 175.22 176.97 1ywl h GLU 60 N 5.61 0.05 -6.55 0.44 4.81 -1.96 -0.77 114.58 116.20 1ywl h GLU 60 Ca -0.40 -0.08 -0.43 0.00 -0.13 0.00 0.00 59.36 58.32 1ywl h GLU 60 Cb 1.13 0.03 0.03 0.00 0.63 0.00 0.00 28.75 30.57 1ywl h GLU 60 CO 0.48 1.04 -0.20 0.95 -0.73 0.00 0.00 179.01 180.55 1ywl s THR 61 N -2.39 3.06 -0.04 0.32 -4.23 -1.26 -4.84 115.64 106.27 1ywl s THR 61 Ca -0.27 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 1ywl s THR 61 Cb 0.05 -3.07 -0.32 0.00 1.34 0.00 0.00 72.50 70.51 1ywl s THR 61 CO 0.63 -0.03 0.76 -0.09 -0.54 0.00 0.00 174.62 175.34 1ywl h ARG 62 N 0.49 0.40 -0.31 3.99 2.43 -1.98 -3.22 114.38 116.18 1ywl h ARG 62 Ca -0.41 -0.68 0.03 0.00 -0.81 0.00 0.00 59.98 58.11 1ywl h ARG 62 Cb 1.28 0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 31.04 1ywl h ARG 62 CO 0.48 1.32 -0.28 0.77 -1.51 0.00 0.00 179.97 180.76 1ywl h SER 63 N -0.02 -0.97 -0.84 -3.80 0.02 -1.98 1.37 113.55 107.34 1ywl h SER 63 Ca -0.29 0.14 0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1ywl h SER 63 Cb 2.00 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 64.89 1ywl h SER 63 CO 0.18 -0.17 0.55 -0.33 -1.14 0.00 0.00 176.83 175.92 1ywl h GLU 64 N -0.12 0.61 0.02 3.45 5.08 -1.98 0.16 114.58 121.80 1ywl h GLU 64 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ywl h GLU 64 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ywl h GLU 64 CO -0.36 0.40 -0.01 0.00 -1.00 0.00 0.00 179.01 178.05 1ywl h ALA 65 N 1.61 -0.82 -0.50 3.43 0.00 -0.31 1.37 119.26 124.04 1ywl h ALA 65 Ca 0.42 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.47 1ywl h ALA 65 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1ywl h ALA 65 CO -0.17 -0.81 0.69 0.00 0.00 0.00 0.00 179.25 178.95 1ywl h THR 66 N -0.03 0.18 0.15 0.00 1.03 0.18 1.25 112.91 115.68 1ywl h THR 66 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.07 1ywl h THR 66 Cb 0.02 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.52 1ywl h THR 66 CO 0.00 0.00 -1.63 0.50 -0.01 0.00 0.00 175.52 174.38 1ywl h LYS 67 N 0.00 0.31 -0.26 0.00 3.64 -0.41 -2.00 116.57 117.85 1ywl h LYS 67 Ca 0.24 -0.54 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1ywl h LYS 67 Cb 1.61 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1ywl h LYS 67 CO -0.00 1.20 -0.03 0.00 -2.27 0.00 0.00 179.45 178.35 1ywl h ALA 68 N 0.33 1.47 0.22 5.00 0.00 1.12 -1.49 119.26 125.92 1ywl h ALA 68 Ca -0.29 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 1ywl h ALA 68 Cb 2.06 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 19.75 1ywl h ALA 68 CO 0.17 0.38 -1.48 1.05 0.00 0.00 0.00 179.25 179.36 1ywl h GLU 69 N 0.38 0.47 0.40 0.00 4.11 -0.96 -2.51 114.58 116.49 1ywl h GLU 69 Ca 0.08 -0.81 -0.01 0.00 0.07 0.00 0.00 59.36 58.70 1ywl h GLU 69 Cb 0.30 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1ywl h GLU 69 CO 0.01 1.38 -0.41 0.00 0.07 0.00 0.00 179.01 180.06 1ywl h ALA 70 N 0.23 -1.08 -0.73 1.06 0.00 -0.95 0.38 119.26 118.17 1ywl h ALA 70 Ca -0.25 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1ywl h ALA 70 Cb 2.13 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 20.50 1ywl h ALA 70 CO 0.25 -1.10 0.42 0.00 0.00 0.00 0.00 179.25 178.82 1ywl h ALA 71 N -1.08 1.00 0.00 0.00 0.00 -1.43 0.38 119.26 118.12 1ywl h ALA 71 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ywl h ALA 71 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ywl h ALA 71 CO -0.05 0.11 0.00 0.34 0.00 0.00 0.00 179.25 179.65 1ywl n PHE 72 N -4.74 0.00 0.04 0.00 -0.00 -0.91 0.18 117.46 112.03 1ywl n PHE 72 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.54 1ywl n PHE 72 Cb 0.18 -0.49 -0.08 0.00 -0.00 0.00 0.00 39.48 39.09 1ywl n PHE 72 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1ywl h LYS 73 N 0.00 0.00 0.00 -4.13 3.64 0.41 -3.38 116.57 113.10 1ywl h LYS 73 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1ywl h LYS 73 Cb 0.13 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1ywl h LYS 73 CO 0.00 0.37 -1.90 1.63 -2.27 0.00 0.00 179.45 177.27 1ywl n LYS 74 N -2.97 0.58 -0.68 1.90 4.01 -0.05 -4.96 118.16 115.99 1ywl n LYS 74 Ca -0.09 0.42 -0.32 0.00 -0.51 0.00 0.00 58.31 57.81 1ywl n LYS 74 Cb 0.86 -1.62 0.17 0.00 -0.51 0.00 0.00 35.03 33.93 1ywl n LYS 74 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ywl n LEU 75 N -4.33 -0.72 0.00 -0.35 4.77 0.13 -5.03 117.00 111.46 1ywl n LEU 75 Ca -0.43 0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1ywl n LEU 75 Cb 0.79 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1ywl n LEU 75 CO 0.11 -3.19 -0.04 1.07 -1.33 0.00 0.00 177.39 174.01 1ywl n THR 76 N -4.23 0.00 0.11 -5.08 5.66 -1.26 -4.88 114.28 104.61 1ywl n THR 76 Ca 0.05 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.62 1ywl n THR 76 Cb 0.57 0.02 0.39 0.00 -1.55 0.00 0.00 70.33 69.76 1ywl n THR 76 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1ywl n ARG 77 N -0.35 0.09 0.00 1.09 1.85 -1.26 -0.89 116.66 117.19 1ywl n ARG 77 Ca -0.04 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 1ywl n ARG 77 Cb 0.14 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 1ywl n ARG 77 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1ywl n LYS 78 N -2.00 0.00 -0.37 2.89 3.00 -1.26 -3.31 118.16 117.11 1ywl n LYS 78 Ca -0.01 0.10 0.34 0.00 -0.00 0.00 0.00 58.31 58.74 1ywl n LYS 78 Cb 0.05 -0.45 0.61 0.00 0.00 0.00 0.00 35.03 35.24 1ywl n LYS 78 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ywl h GLN 79 N 0.00 0.04 0.14 1.64 4.20 -1.92 1.14 115.11 120.35 1ywl h GLN 79 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ywl h GLN 79 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1ywl h GLN 79 CO 0.00 0.03 -0.07 0.87 -0.67 0.00 0.00 178.83 178.99 1ywl h LYS 80 N 0.05 -0.18 -0.35 1.46 1.57 -1.22 1.47 116.57 119.37 1ywl h LYS 80 Ca 0.84 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.70 1ywl h LYS 80 Cb 2.36 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 34.63 1ywl h LYS 80 CO -0.64 0.03 -0.39 1.49 -0.57 0.00 0.00 179.45 179.37 1ywl h GLU 81 N -0.36 -0.32 0.06 3.15 4.57 0.13 -1.00 114.58 120.82 1ywl h GLU 81 Ca -0.02 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ywl h GLU 81 Cb 0.29 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1ywl h GLU 81 CO 0.03 -0.21 -0.03 0.37 -1.18 0.00 0.00 179.01 177.99 1ywl h GLN 82 N -0.33 -0.08 -0.87 1.92 5.75 -1.24 0.21 115.11 120.47 1ywl h GLN 82 Ca 0.14 0.01 0.36 0.00 -0.15 0.00 0.00 58.65 59.01 1ywl h GLN 82 Cb 0.57 0.02 -0.16 0.00 1.07 0.00 0.00 27.48 28.99 1ywl h GLN 82 CO -0.53 0.32 0.47 0.98 -2.65 0.00 0.00 178.83 177.42 1ywl n TYR 83 N -4.93 1.01 -0.08 3.99 9.36 0.50 0.19 117.16 127.20 1ywl n TYR 83 Ca -0.08 1.02 -0.22 0.00 3.32 0.00 0.00 57.90 61.94 1ywl n TYR 83 Cb 0.23 -1.43 -0.12 0.00 -0.63 0.00 0.00 39.34 37.38 1ywl n TYR 83 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ywl h LEU 84 N 0.00 0.11 -0.63 2.98 4.07 -1.11 -3.36 115.31 117.37 1ywl h LEU 84 Ca 0.74 -0.62 0.13 0.00 0.08 0.00 0.00 57.88 58.21 1ywl h LEU 84 Cb 1.95 -0.04 -0.11 0.00 1.08 0.00 0.00 40.66 43.54 1ywl h LEU 84 CO -0.67 1.59 -0.04 0.50 -1.08 0.00 0.00 178.44 178.74 1ywl h LYS 85 N -0.73 0.08 -0.94 1.13 1.63 0.31 1.05 116.57 119.10 1ywl h LYS 85 Ca -0.37 -0.00 0.26 0.00 -0.85 0.00 0.00 60.65 59.69 1ywl h LYS 85 Cb 1.49 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.06 1ywl h LYS 85 CO -0.13 0.05 0.66 0.00 -3.45 0.00 0.00 179.45 176.58 1ywl h THR 86 N 0.08 0.55 0.12 1.00 1.03 0.18 0.52 112.91 116.39 1ywl h THR 86 Ca 0.32 -0.03 -0.36 0.00 -0.01 0.00 0.00 66.41 66.34 1ywl h THR 86 Cb 0.53 0.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.04 1ywl h THR 86 CO -0.57 0.02 -1.93 0.15 -0.01 0.00 0.00 175.52 173.17 1ywl h PHE 87 N 0.09 0.47 -0.15 0.00 3.04 0.56 -3.36 116.94 117.58 1ywl h PHE 87 Ca 0.46 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1ywl h PHE 87 Cb 1.68 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 1ywl h PHE 87 CO -0.00 1.69 0.10 1.25 -2.02 0.00 0.00 178.31 179.33 1ywl h HIS 88 N 0.07 0.20 -0.50 0.41 2.76 0.27 -2.99 115.15 115.37 1ywl h HIS 88 Ca -0.40 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.83 1ywl h HIS 88 Cb 2.04 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 30.86 1ywl h HIS 88 CO 0.07 0.13 -0.45 -0.07 -1.30 0.00 0.00 177.93 176.32 1ywl h LEU 89 N 0.21 -1.55 0.00 0.26 3.38 -0.25 -3.41 115.31 113.95 1ywl h LEU 89 Ca 0.06 0.22 -0.39 0.00 0.09 0.00 0.00 57.88 57.85 1ywl h LEU 89 Cb -0.02 0.66 0.16 0.00 0.09 0.00 0.00 40.66 41.55 1ywl h LEU 89 CO -0.01 -0.26 0.37 -0.62 0.09 0.00 0.00 178.44 178.01 1ywl n GLU 90 N -4.77 -1.26 -3.19 1.13 1.02 -1.13 -5.08 120.64 107.35 1ywl n GLU 90 Ca -0.01 -1.87 -0.06 0.00 -0.02 0.00 0.00 57.16 55.20 1ywl n GLU 90 Cb 0.24 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1ywl n GLU 90 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1ywl s HIS 91 N -3.62 -1.17 -0.18 -0.32 -3.43 -1.26 -4.89 115.29 100.42 1ywl s HIS 91 Ca 0.69 -0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 54.60 1ywl s HIS 91 Cb -0.02 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1ywl s HIS 91 CO 0.48 -1.12 0.08 -1.01 -2.00 0.00 0.00 174.74 171.17 1ywl s HIS 92 N 1.49 0.37 -0.29 0.38 3.76 -1.26 -5.11 115.29 114.62 1ywl s HIS 92 Ca 0.19 -0.43 -0.24 0.00 -0.15 0.00 0.00 55.06 54.43 1ywl s HIS 92 Cb -0.06 -0.76 0.18 0.00 1.11 0.00 0.00 32.58 33.04 1ywl s HIS 92 CO -0.06 -0.53 1.34 -1.01 -0.85 0.00 0.00 174.74 173.63 1ywl s HIS 93 N 2.08 -0.15 0.30 1.40 3.76 -1.26 -5.13 115.29 116.28 1ywl s HIS 93 Ca 0.01 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 1ywl s HIS 93 Cb -0.16 0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.96 1ywl s HIS 93 CO -0.09 -0.07 0.00 1.58 -0.85 0.00 0.00 174.74 175.31 1ywl n HIS 94 N 1.81 -4.47 -1.34 1.40 -0.00 -1.26 -4.93 115.22 106.43 1ywl n HIS 94 Ca -0.11 2.45 0.17 0.00 -0.00 0.00 0.00 57.72 60.23 1ywl n HIS 94 Cb 0.57 -3.52 -0.05 0.00 -0.00 0.00 0.00 29.99 26.98 1ywl n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ywl n HIS 95 N 0.87 -3.36 -0.99 1.57 -0.00 -1.26 -5.27 115.22 106.78 1ywl n HIS 95 Ca 0.00 1.72 0.00 0.00 -0.00 0.00 0.00 57.72 59.44 1ywl n HIS 95 Cb 0.00 -3.05 0.00 0.00 -0.00 0.00 0.00 29.99 26.94 1ywl n HIS 95 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92