#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 -2.22 0.00 0.03 4.71 -1.26 -4.87 120.64 117.03 1ywl n GLU 2 Ca 0.00 1.54 0.00 0.00 -0.01 0.00 0.00 57.16 58.69 1ywl n GLU 2 Cb 0.00 -2.68 0.00 0.00 -1.01 0.00 0.00 31.44 27.75 1ywl n GLU 2 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ywl n ASN 3 N -3.57 0.00 -2.52 1.62 0.23 -1.26 -4.60 115.26 105.16 1ywl n ASN 3 Ca -0.01 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.01 1ywl n ASN 3 Cb 0.49 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.21 1ywl n ASN 3 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1ywl n LYS 4 N 0.00 -1.05 -0.98 -3.83 0.00 -1.26 -4.82 118.16 106.22 1ywl n LYS 4 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 58.31 59.21 1ywl n LYS 4 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 35.03 30.85 1ywl n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ywl n LYS 5 N -1.91 -2.58 -1.64 1.64 4.76 -1.26 -5.04 118.16 112.14 1ywl n LYS 5 Ca -0.02 2.00 -0.00 0.00 -2.87 0.00 0.00 58.31 57.42 1ywl n LYS 5 Cb 0.53 -2.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.22 1ywl n LYS 5 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ywl n SER 6 N -2.17 -2.14 -4.72 4.39 7.64 -1.26 -4.96 113.62 110.41 1ywl n SER 6 Ca 0.00 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 1ywl n SER 6 Cb 0.30 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 1ywl n SER 6 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1ywl s HIS 7 N -0.12 3.66 -0.13 1.43 3.76 0.57 -4.78 115.29 119.67 1ywl s HIS 7 Ca -0.02 1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 56.41 1ywl s HIS 7 Cb 0.00 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1ywl s HIS 7 CO 0.09 0.07 -0.04 0.71 -0.85 0.00 0.00 174.74 174.73 1ywl s TYR 8 N 0.74 3.03 -0.28 1.40 1.51 -1.03 -0.94 117.35 121.78 1ywl s TYR 8 Ca 0.46 -0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 56.27 1ywl s TYR 8 Cb -0.20 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1ywl s TYR 8 CO 0.25 0.12 0.13 0.12 -1.11 0.00 0.00 175.55 175.06 1ywl s PHE 9 N -0.05 3.15 -0.04 2.71 2.19 -0.90 -2.36 117.98 122.68 1ywl s PHE 9 Ca 0.02 -0.28 0.07 0.00 0.33 0.00 0.00 56.93 57.07 1ywl s PHE 9 Cb -0.13 -2.32 -0.01 0.00 -1.31 0.00 0.00 43.02 39.24 1ywl s PHE 9 CO 0.03 -0.32 -0.25 1.52 1.83 0.00 0.00 175.22 178.03 1ywl s TYR 10 N 1.67 2.36 -0.61 10.12 1.13 -0.93 -2.52 117.35 128.56 1ywl s TYR 10 Ca 0.06 -0.59 -0.03 0.00 -1.41 0.00 0.00 57.07 55.09 1ywl s TYR 10 Cb -0.16 -1.54 0.16 0.00 -1.10 0.00 0.00 41.96 39.32 1ywl s TYR 10 CO 0.07 -0.14 0.43 0.08 -2.51 0.00 0.00 175.55 173.48 1ywl s VAL 11 N -0.35 3.75 0.31 -3.49 1.01 -1.26 -1.91 120.40 118.46 1ywl s VAL 11 Ca 0.02 -2.86 -0.24 0.00 0.00 0.00 0.00 61.98 58.90 1ywl s VAL 11 Cb -0.12 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1ywl s VAL 11 CO 0.02 -0.87 0.89 -1.48 0.00 0.00 0.00 175.10 173.66 1ywl s LEU 12 N 0.06 4.32 -0.06 3.92 -0.00 0.14 -3.52 118.68 123.55 1ywl s LEU 12 Ca 0.16 1.74 0.03 0.00 -0.00 0.00 0.00 54.13 56.05 1ywl s LEU 12 Cb -0.20 -3.94 -0.03 0.00 -0.00 0.00 0.00 46.19 42.02 1ywl s LEU 12 CO -0.04 -0.06 -0.13 -0.22 -0.00 0.00 0.00 176.35 175.91 1ywl s LEU 13 N -2.09 2.83 0.39 1.48 0.20 0.17 -2.33 118.68 119.33 1ywl s LEU 13 Ca 0.49 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.15 1ywl s LEU 13 Cb -0.18 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 1ywl s LEU 13 CO 0.23 0.33 0.60 0.00 -0.29 0.00 0.00 176.35 177.22 1ywl h GLN 15 N 0.60 0.16 -0.43 0.00 5.75 -1.93 0.11 115.11 119.36 1ywl h GLN 15 Ca -0.48 -0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.14 1ywl h GLN 15 Cb 1.24 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1ywl h GLN 15 CO 0.59 0.10 0.36 0.22 -2.65 0.00 0.00 178.83 177.45 1ywl h ASP 16 N 0.16 0.00 0.00 -0.69 3.58 -1.94 -3.45 116.42 114.08 1ywl h ASP 16 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1ywl h ASP 16 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1ywl h ASP 16 CO -0.20 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.77 1ywl n GLY 17 N -1.56 0.64 3.48 -0.78 0.00 0.37 -5.09 105.19 102.24 1ywl n GLY 17 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.88 5.79 -0.57 1.61 0.15 -1.23 -4.87 113.70 113.70 1ywl s SER 18 Ca 0.00 -0.48 -0.24 0.00 0.70 0.00 0.00 55.95 55.93 1ywl s SER 18 Cb 0.00 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1ywl s SER 18 CO 0.00 -0.21 0.95 -0.36 1.20 0.00 0.00 173.24 174.81 1ywl s PHE 19 N 1.66 2.77 0.03 3.44 0.08 -1.26 -2.39 117.98 122.31 1ywl s PHE 19 Ca 0.05 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1ywl s PHE 19 Cb -0.17 -4.11 -0.02 0.00 -0.57 0.00 0.00 43.02 38.15 1ywl s PHE 19 CO 0.08 -1.41 -0.08 -0.47 -0.10 0.00 0.00 175.22 173.24 1ywl s TYR 20 N 3.98 0.68 0.12 0.36 5.04 -0.98 -5.04 117.35 121.51 1ywl s TYR 20 Ca 0.29 -0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.27 1ywl s TYR 20 Cb -0.13 -0.41 0.08 0.00 0.35 0.00 0.00 41.96 41.84 1ywl s TYR 20 CO 0.17 -0.05 1.04 0.20 -1.34 0.00 0.00 175.55 175.57 1ywl s GLY 21 N -1.21 -0.25 -0.18 8.97 0.00 -1.25 0.28 107.32 113.67 1ywl s GLY 21 Ca -0.06 0.23 -0.35 0.00 0.00 0.00 0.00 44.72 44.53 1ywl s GLY 21 CO 0.00 0.17 1.35 -0.32 0.00 0.00 0.00 173.10 174.30 1ywl s GLY 22 N -2.98 -0.32 -0.15 0.20 0.00 -0.80 -4.95 107.32 98.32 1ywl s GLY 22 Ca 0.13 1.46 -0.06 0.00 0.00 0.00 0.00 44.72 46.24 1ywl s GLY 22 CO 0.01 0.44 0.07 -2.52 0.00 0.00 0.00 173.10 171.10 1ywl s TYR 23 N -2.17 3.33 0.21 1.90 1.13 -1.26 -2.20 117.35 118.29 1ywl s TYR 23 Ca 0.12 0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 55.80 1ywl s TYR 23 Cb 0.02 -2.00 0.07 0.00 -1.10 0.00 0.00 41.96 38.96 1ywl s TYR 23 CO -0.04 0.36 1.01 -2.37 -2.51 0.00 0.00 175.55 172.00 1ywl n THR 24 N 2.90 0.00 -4.80 -3.49 5.66 -1.00 -4.90 114.28 108.66 1ywl n THR 24 Ca -0.18 -0.62 -0.33 0.00 -3.05 0.00 0.00 64.05 59.87 1ywl n THR 24 Cb 0.53 0.81 -0.14 0.00 -1.55 0.00 0.00 70.33 69.97 1ywl n THR 24 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ywl s THR 25 N -2.06 3.02 -0.35 1.09 -4.23 -1.26 -2.47 115.64 109.38 1ywl s THR 25 Ca 0.22 -0.68 -0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1ywl s THR 25 Cb -0.03 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ywl s THR 25 CO 0.06 0.53 0.32 -0.62 -0.54 0.00 0.00 174.62 174.38 1ywl n GLU 26 N 3.40 -0.65 0.14 3.99 -0.58 -1.26 -4.72 120.64 120.96 1ywl n GLU 26 Ca -0.18 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1ywl n GLU 26 Cb 0.53 -3.36 0.14 0.00 -0.57 0.00 0.00 31.44 28.18 1ywl n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1ywl h PRO 27 N 0.07 0.00 -0.34 3.49 0.13 -1.95 -2.38 132.00 131.02 1ywl h PRO 27 Ca -0.05 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1ywl h PRO 27 Cb 1.03 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1ywl h PRO 27 CO 0.14 0.61 0.05 0.93 -0.23 0.00 0.00 178.00 179.50 1ywl h GLU 28 N 0.00 0.15 -0.00 0.86 4.39 -1.98 0.85 114.58 118.85 1ywl h GLU 28 Ca -0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1ywl h GLU 28 Cb 1.22 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1ywl h GLU 28 CO 0.08 0.10 -0.07 0.00 -1.16 0.00 0.00 179.01 177.96 1ywl h ARG 29 N 0.16 0.05 -0.79 2.33 -0.00 -1.95 -1.77 114.38 112.41 1ywl h ARG 29 Ca 0.16 -0.05 0.16 0.00 -0.50 0.00 0.00 59.98 59.75 1ywl h ARG 29 Cb 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.13 1ywl h ARG 29 CO -0.23 0.79 0.52 -0.09 0.00 0.00 0.00 179.97 180.96 1ywl h ARG 30 N -0.66 0.43 0.30 0.04 1.12 -1.23 0.44 114.38 114.81 1ywl h ARG 30 Ca -0.01 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.82 1ywl h ARG 30 Cb 0.81 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1ywl h ARG 30 CO 0.01 0.28 -0.14 1.25 -3.11 0.00 0.00 179.97 178.26 1ywl h LEU 31 N 0.44 -0.34 -0.40 3.80 5.85 0.73 -3.04 115.31 122.36 1ywl h LEU 31 Ca 0.39 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1ywl h LEU 31 Cb 0.88 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1ywl h LEU 31 CO -0.13 0.01 -0.35 0.74 -0.34 0.00 0.00 178.44 178.37 1ywl h THR 32 N -0.92 0.20 -0.85 1.05 2.02 -0.86 -1.74 112.91 111.81 1ywl h THR 32 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1ywl h THR 32 Cb 0.31 0.20 -0.11 0.00 -1.74 0.00 0.00 68.15 66.81 1ywl h THR 32 CO 0.07 0.00 -0.54 -0.33 0.37 0.00 0.00 175.52 175.09 1ywl h GLU 33 N -0.28 -0.05 -0.72 6.66 5.08 -0.24 0.38 114.58 125.41 1ywl h GLU 33 Ca 0.16 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1ywl h GLU 33 Cb 0.55 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1ywl h GLU 33 CO -0.54 -0.03 -0.43 1.25 -1.00 0.00 0.00 179.01 178.25 1ywl h HIS 34 N -0.05 -1.26 -0.26 4.33 2.76 -1.20 0.61 115.15 120.08 1ywl h HIS 34 Ca 0.14 0.09 0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1ywl h HIS 34 Cb 0.40 0.65 -0.07 0.00 1.55 0.00 0.00 27.41 29.94 1ywl h HIS 34 CO -0.98 -0.41 -0.20 -0.97 -1.30 0.00 0.00 177.93 174.07 1ywl h ASN 35 N -0.14 -0.66 -0.73 3.26 -0.73 -0.18 0.18 115.58 116.58 1ywl h ASN 35 Ca 0.22 0.13 -0.43 0.00 1.87 0.00 0.00 56.30 58.09 1ywl h ASN 35 Cb 0.55 0.33 -0.18 0.00 0.27 0.00 0.00 38.32 39.29 1ywl h ASN 35 CO -0.78 -0.24 0.51 -0.24 -0.37 0.00 0.00 177.43 176.31 1ywl n SER 36 N -5.36 6.72 0.00 1.15 2.88 0.10 -4.78 113.62 114.34 1ywl n SER 36 Ca -0.01 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1ywl n SER 36 Cb 0.27 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 0.21 0.57 3.63 0.46 0.00 0.18 -4.86 105.19 105.38 1ywl n GLY 37 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1ywl n GLY 37 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ywl s THR 38 N 1.99 2.31 -0.34 2.61 -1.32 -1.26 -5.04 115.64 114.59 1ywl s THR 38 Ca 0.00 0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ywl s THR 38 Cb 0.00 -2.32 0.14 0.00 -1.51 0.00 0.00 72.50 68.82 1ywl s THR 38 CO 0.00 -0.13 0.30 -0.83 -2.21 0.00 0.00 174.62 171.75 1ywl s GLY 39 N -2.92 0.14 0.01 6.08 0.00 -1.26 -4.95 107.32 104.42 1ywl s GLY 39 Ca 0.66 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1ywl s GLY 39 CO 0.60 2.54 0.00 0.00 0.00 0.00 0.00 173.10 176.24 1ywl n ALA 40 N 4.62 3.00 -0.70 3.20 0.00 -1.26 -5.11 120.51 124.27 1ywl n ALA 40 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1ywl n ALA 40 Cb 0.44 0.07 0.11 0.00 0.00 0.00 0.00 19.45 20.06 1ywl n ALA 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ywl n LYS 41 N -2.62 -2.22 -0.01 0.00 4.81 -1.26 -4.96 118.16 111.90 1ywl n LYS 41 Ca 0.00 -0.53 -0.00 0.00 -0.87 0.00 0.00 58.31 56.91 1ywl n LYS 41 Cb 0.06 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.33 1ywl n LYS 41 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ywl n TYR 42 N -3.92 -1.52 0.00 5.64 4.01 -1.26 -4.96 117.16 115.15 1ywl n TYR 42 Ca 0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1ywl n TYR 42 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1ywl n TYR 42 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1ywl n THR 43 N -2.79 0.00 0.34 -0.72 5.66 -1.26 -4.87 114.28 110.63 1ywl n THR 43 Ca 0.00 0.00 0.20 0.00 -3.05 0.00 0.00 64.05 61.20 1ywl n THR 43 Cb 0.01 0.00 1.09 0.00 -1.55 0.00 0.00 70.33 69.87 1ywl n THR 43 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 1ywl h ARG 44 N 0.00 0.00 0.00 1.09 0.11 -2.02 0.13 114.38 113.68 1ywl h ARG 44 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ywl h ARG 44 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ywl h ARG 44 CO 0.00 0.00 -0.81 1.47 0.10 0.00 0.00 179.97 180.73 1ywl n LEU 45 N -3.03 0.21 -3.00 0.08 -0.00 -1.26 -5.07 117.00 104.93 1ywl n LEU 45 Ca -0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.01 55.69 1ywl n LEU 45 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.59 1ywl n LEU 45 CO 0.18 0.05 -0.40 0.00 -0.00 0.00 0.00 177.39 177.22 1ywl n ALA 46 N -1.45 -2.26 0.31 1.47 0.00 0.43 -4.89 120.51 114.12 1ywl n ALA 46 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 1ywl n ALA 46 Cb 0.16 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1ywl n ALA 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ywl h LYS 47 N 3.90 -0.78 -4.26 0.00 3.64 -1.92 -3.49 116.57 113.65 1ywl h LYS 47 Ca -0.06 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ywl h LYS 47 Cb 0.59 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1ywl h LYS 47 CO 0.02 -0.52 -0.93 0.54 -2.27 0.00 0.00 179.45 176.29 1ywl n ARG 48 N -4.28 -5.42 -4.94 1.90 1.74 -1.26 -5.00 116.66 99.39 1ywl n ARG 48 Ca -0.10 3.86 -0.33 0.00 -0.77 0.00 0.00 57.85 60.52 1ywl n ARG 48 Cb 0.33 -4.16 -0.14 0.00 -1.02 0.00 0.00 32.46 27.46 1ywl n ARG 48 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ywl s ARG 49 N -0.72 2.89 0.42 5.56 3.03 -1.26 -5.10 118.95 123.76 1ywl s ARG 49 Ca 0.00 -0.74 -0.23 0.00 2.03 0.00 0.00 55.73 56.78 1ywl s ARG 49 Cb 0.00 -2.43 -0.09 0.00 -1.03 0.00 0.00 34.95 31.40 1ywl s ARG 49 CO 0.00 0.39 1.05 -1.25 -1.13 0.00 0.00 175.30 174.36 1ywl s PRO 50 N -0.14 4.08 -0.22 3.89 0.04 -1.26 -4.98 135.00 136.41 1ywl s PRO 50 Ca -0.02 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1ywl s PRO 50 Cb -0.14 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 32.01 1ywl s PRO 50 CO 0.04 -0.21 -0.02 0.14 0.04 0.00 0.00 177.00 176.99 1ywl s VAL 51 N -1.71 1.13 -0.06 -0.36 -7.23 -1.25 -3.86 120.40 107.06 1ywl s VAL 51 Ca 0.60 -0.95 -0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1ywl s VAL 51 Cb -0.21 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1ywl s VAL 51 CO 0.26 -0.14 -0.02 0.27 -0.31 0.00 0.00 175.10 175.17 1ywl s ILE 52 N 1.58 4.08 -0.29 -0.62 -4.36 -0.94 -4.81 121.20 115.85 1ywl s ILE 52 Ca -0.04 -0.41 -0.07 0.00 -0.26 0.00 0.00 60.65 59.88 1ywl s ILE 52 Cb -0.18 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1ywl s ILE 52 CO -0.07 0.55 0.07 -0.04 0.24 0.00 0.00 174.94 175.69 1ywl s MET 53 N -1.02 3.18 -0.01 0.37 -1.94 -1.26 0.41 119.30 119.03 1ywl s MET 53 Ca 0.14 -0.80 0.16 0.00 -1.71 0.00 0.00 55.69 53.49 1ywl s MET 53 Cb -0.11 -3.35 -0.20 0.00 2.01 0.00 0.00 34.83 33.18 1ywl s MET 53 CO 0.04 -0.40 0.55 0.44 -0.01 0.00 0.00 175.02 175.64 1ywl n ILE 54 N 4.87 0.00 -4.39 2.53 -0.00 -1.23 -4.97 119.36 116.17 1ywl n ILE 54 Ca -0.15 -0.22 -0.27 0.00 -0.00 0.00 0.00 62.75 62.11 1ywl n ILE 54 Cb 0.49 0.69 -0.11 0.00 -0.00 0.00 0.00 39.64 40.70 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 -2.70 2.37 -0.29 4.28 3.76 -1.26 -5.05 115.29 116.39 1ywl s HIS 55 Ca 0.02 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1ywl s HIS 55 Cb 0.11 -1.18 0.18 0.00 1.11 0.00 0.00 32.58 32.80 1ywl s HIS 55 CO 0.65 0.48 0.57 0.95 -0.85 0.00 0.00 174.74 176.54 1ywl s THR 56 N -1.59 -0.96 0.12 1.30 -4.23 -1.26 -4.08 115.64 104.93 1ywl s THR 56 Ca 0.21 -0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.77 1ywl s THR 56 Cb -0.08 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1ywl s THR 56 CO 0.10 -0.02 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.40 1ywl s GLU 57 N 2.82 1.03 -0.08 3.99 2.02 -1.05 -5.05 118.70 122.39 1ywl s GLU 57 Ca 0.19 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 54.00 1ywl s GLU 57 Cb -0.15 -1.02 0.01 0.00 0.10 0.00 0.00 34.13 33.08 1ywl s GLU 57 CO -0.21 0.21 -0.14 0.15 0.02 0.00 0.00 175.26 175.29 1ywl s LYS 58 N -2.41 1.95 -0.11 1.61 1.02 -1.26 -2.11 119.74 118.43 1ywl s LYS 58 Ca 0.07 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1ywl s LYS 58 Cb -0.07 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1ywl s LYS 58 CO 0.04 0.02 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.30 1ywl s PHE 59 N 0.73 1.77 -0.85 3.18 0.08 -0.11 -4.98 117.98 117.80 1ywl s PHE 59 Ca -0.13 -0.87 0.25 0.00 0.12 0.00 0.00 56.93 56.31 1ywl s PHE 59 Cb -0.16 -1.34 0.54 0.00 -0.57 0.00 0.00 43.02 41.49 1ywl s PHE 59 CO 0.03 -0.50 1.45 -0.85 -0.10 0.00 0.00 175.22 175.25 1ywl n GLU 60 N 4.52 0.13 -4.43 0.44 0.28 -1.26 -0.32 120.64 120.00 1ywl n GLU 60 Ca -0.17 0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.66 1ywl n GLU 60 Cb 0.51 -1.59 -0.10 0.00 1.43 0.00 0.00 31.44 31.69 1ywl n GLU 60 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1ywl s THR 61 N -3.07 1.61 -0.10 3.84 -4.23 -1.26 -4.62 115.64 107.80 1ywl s THR 61 Ca 0.09 -2.11 -0.17 0.00 -1.18 0.00 0.00 61.69 58.32 1ywl s THR 61 Cb 0.16 -2.47 -0.27 0.00 1.34 0.00 0.00 72.50 71.26 1ywl s THR 61 CO 0.68 -0.28 0.58 -0.09 -0.54 0.00 0.00 174.62 174.97 1ywl h ARG 62 N 2.27 0.23 -0.86 3.99 2.43 -1.99 -3.22 114.38 117.23 1ywl h ARG 62 Ca -0.40 -0.40 0.20 0.00 -0.81 0.00 0.00 59.98 58.57 1ywl h ARG 62 Cb 1.23 0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 30.77 1ywl h ARG 62 CO 0.67 1.19 -0.08 0.77 -1.51 0.00 0.00 179.97 181.01 1ywl h SER 63 N -0.36 -0.58 0.13 -3.80 0.02 -1.98 0.31 113.55 107.30 1ywl h SER 63 Ca -0.28 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1ywl h SER 63 Cb 1.71 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.71 1ywl h SER 63 CO 0.06 -0.27 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.34 1ywl h GLU 64 N 0.04 -0.17 -0.27 3.45 4.57 -1.98 0.54 114.58 120.76 1ywl h GLU 64 Ca 0.46 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.69 1ywl h GLU 64 Cb 0.81 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.36 1ywl h GLU 64 CO -0.82 0.05 -0.54 0.00 -1.18 0.00 0.00 179.01 176.51 1ywl h ALA 65 N 0.47 -0.81 -0.82 2.92 0.00 -0.67 0.64 119.26 121.00 1ywl h ALA 65 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ywl h ALA 65 Cb 0.29 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1ywl h ALA 65 CO 0.03 -1.06 0.45 0.00 0.00 0.00 0.00 179.25 178.68 1ywl h THR 66 N -0.49 1.24 -0.26 0.00 1.03 -0.52 -2.39 112.91 111.51 1ywl h THR 66 Ca 0.06 -0.58 0.05 0.00 -0.01 0.00 0.00 66.41 65.93 1ywl h THR 66 Cb 0.64 0.12 -0.05 0.00 -1.07 0.00 0.00 68.15 67.80 1ywl h THR 66 CO -0.51 0.26 -0.05 0.50 -0.01 0.00 0.00 175.52 175.71 1ywl h LYS 67 N 1.14 0.01 -0.70 0.00 3.64 0.22 -0.30 116.57 120.58 1ywl h LYS 67 Ca 0.29 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1ywl h LYS 67 Cb 0.01 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 1ywl h LYS 67 CO -0.05 0.01 0.35 0.00 -2.27 0.00 0.00 179.45 177.49 1ywl h ALA 68 N 1.26 0.97 0.24 5.00 0.00 0.66 -2.03 119.26 125.35 1ywl h ALA 68 Ca 0.13 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ywl h ALA 68 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ywl h ALA 68 CO -0.26 -0.06 -0.32 0.93 0.00 0.00 0.00 179.25 179.54 1ywl h GLU 69 N 0.59 -0.60 -0.76 0.00 5.08 -0.73 0.42 114.58 118.58 1ywl h GLU 69 Ca 0.35 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 1ywl h GLU 69 Cb 0.37 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1ywl h GLU 69 CO -0.27 -0.40 -0.46 0.00 -1.00 0.00 0.00 179.01 176.88 1ywl h ALA 70 N -0.04 -0.44 0.08 3.43 0.00 -0.39 0.79 119.26 122.69 1ywl h ALA 70 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ywl h ALA 70 Cb 0.60 1.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1ywl h ALA 70 CO -0.12 -0.76 -0.18 0.00 0.00 0.00 0.00 179.25 178.19 1ywl h ALA 71 N 0.15 -0.29 -0.78 0.00 0.00 -1.23 -2.43 119.26 114.67 1ywl h ALA 71 Ca 0.12 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1ywl h ALA 71 Cb 0.32 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 1ywl h ALA 71 CO -0.72 -0.70 -0.27 0.74 0.00 0.00 0.00 179.25 178.30 1ywl h PHE 72 N -0.34 -0.68 -1.04 0.00 -1.00 0.27 1.27 116.94 115.42 1ywl h PHE 72 Ca 0.03 0.08 0.27 0.00 2.81 0.00 0.00 57.97 61.16 1ywl h PHE 72 Cb 0.37 0.42 -0.11 0.00 3.61 0.00 0.00 35.95 40.24 1ywl h PHE 72 CO -0.19 -0.37 0.64 0.87 -1.61 0.00 0.00 178.31 177.64 1ywl h LYS 73 N -0.05 0.45 0.00 1.51 1.57 0.94 1.26 116.57 122.25 1ywl h LYS 73 Ca 0.34 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.92 1ywl h LYS 73 Cb 0.58 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1ywl h LYS 73 CO -0.82 0.30 -0.87 0.87 -0.57 0.00 0.00 179.45 178.35 1ywl h LYS 74 N 0.46 0.00 -7.13 3.15 6.56 0.14 -3.45 116.57 116.30 1ywl h LYS 74 Ca 0.64 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.77 1ywl h LYS 74 Cb 1.44 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1ywl h LYS 74 CO -0.41 0.78 0.36 -0.51 -2.06 0.00 0.00 179.45 177.61 1ywl s LEU 75 N -6.56 3.77 0.00 2.94 1.43 0.43 -5.06 118.68 115.63 1ywl s LEU 75 Ca 0.02 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1ywl s LEU 75 Cb 0.09 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1ywl s LEU 75 CO 0.79 -0.48 0.00 1.07 0.23 0.00 0.00 176.35 177.96 1ywl n THR 76 N -1.14 0.00 0.13 5.49 5.66 -1.26 -4.84 114.28 118.32 1ywl n THR 76 Ca 0.07 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.12 1ywl n THR 76 Cb 0.54 -0.29 0.26 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.27 0.06 0.00 1.09 1.85 -1.26 -1.53 116.66 116.60 1ywl n ARG 77 Ca 0.00 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 1ywl n ARG 77 Cb 0.00 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 1ywl n ARG 77 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ywl n LYS 78 N -1.80 0.00 -0.24 2.89 4.76 -1.26 -3.74 118.16 118.77 1ywl n LYS 78 Ca -0.00 0.00 0.19 0.00 -2.87 0.00 0.00 58.31 55.63 1ywl n LYS 78 Cb 0.04 -0.25 0.36 0.00 -1.84 0.00 0.00 35.03 33.35 1ywl n LYS 78 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1ywl n GLN 79 N -2.00 -0.05 0.26 1.97 7.27 -1.22 0.71 117.38 124.33 1ywl n GLN 79 Ca 0.00 1.05 -0.10 0.00 0.07 0.00 0.00 57.00 58.01 1ywl n GLN 79 Cb 0.00 -1.81 -0.05 0.00 2.41 0.00 0.00 30.24 30.79 1ywl n GLN 79 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1ywl h LYS 80 N 0.00 -0.65 -0.91 3.69 1.57 -1.51 1.55 116.57 120.30 1ywl h LYS 80 Ca 0.57 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.54 1ywl h LYS 80 Cb 1.41 0.15 -0.15 0.00 0.08 0.00 0.00 32.23 33.72 1ywl h LYS 80 CO -0.61 -0.43 -0.33 -1.91 -0.57 0.00 0.00 179.45 175.60 1ywl n GLU 81 N -4.14 -0.18 0.14 3.15 4.07 0.22 -0.46 120.64 123.43 1ywl n GLU 81 Ca -0.08 1.41 -0.12 0.00 -0.06 0.00 0.00 57.16 58.31 1ywl n GLU 81 Cb 0.27 -2.10 -0.07 0.00 -0.06 0.00 0.00 31.44 29.48 1ywl n GLU 81 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1ywl h GLN 82 N 0.00 -0.39 -0.77 5.31 1.08 -1.11 -1.59 115.11 117.64 1ywl h GLN 82 Ca 0.35 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.70 1ywl h GLN 82 Cb 0.58 0.09 -0.13 0.00 -0.05 0.00 0.00 27.48 27.96 1ywl h GLN 82 CO -0.92 -0.05 -0.28 0.98 -0.95 0.00 0.00 178.83 177.61 1ywl n TYR 83 N -5.08 0.08 -0.11 2.96 9.36 0.53 0.19 117.16 125.10 1ywl n TYR 83 Ca -0.09 0.95 -0.12 0.00 3.32 0.00 0.00 57.90 61.96 1ywl n TYR 83 Cb 0.26 -0.83 -0.03 0.00 -0.63 0.00 0.00 39.34 38.11 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 0.75 -0.48 2.98 4.07 -0.82 -3.08 115.31 118.73 1ywl h LEU 84 Ca 0.29 -0.43 0.10 0.00 0.08 0.00 0.00 57.88 57.92 1ywl h LEU 84 Cb 0.49 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 41.93 1ywl h LEU 84 CO -0.77 1.02 -0.13 0.50 -1.08 0.00 0.00 178.44 177.98 1ywl h LYS 85 N 0.48 -0.01 -1.12 1.13 3.64 0.32 0.37 116.57 121.38 1ywl h LYS 85 Ca 0.07 0.00 0.37 0.00 -1.27 0.00 0.00 60.65 59.81 1ywl h LYS 85 Cb 0.76 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.44 1ywl h LYS 85 CO 0.06 -0.00 0.68 0.00 -2.27 0.00 0.00 179.45 177.91 1ywl h THR 86 N -0.01 0.22 0.00 1.00 1.03 0.30 1.45 112.91 116.91 1ywl h THR 86 Ca 0.23 -0.07 -0.19 0.00 -0.01 0.00 0.00 66.41 66.37 1ywl h THR 86 Cb 0.36 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.41 1ywl h THR 86 CO -0.50 0.04 -1.18 0.15 -0.01 0.00 0.00 175.52 174.01 1ywl h PHE 87 N 0.21 0.00 -0.53 0.00 3.04 -0.52 -3.31 116.94 115.83 1ywl h PHE 87 Ca 0.76 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.66 1ywl h PHE 87 Cb 2.05 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.54 1ywl h PHE 87 CO -0.01 0.75 0.12 1.25 -2.02 0.00 0.00 178.31 178.40 1ywl h HIS 88 N 0.00 0.84 -0.36 0.41 2.76 0.51 -3.07 115.15 116.23 1ywl h HIS 88 Ca -0.12 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.01 1ywl h HIS 88 Cb 1.68 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 30.33 1ywl h HIS 88 CO 0.00 0.71 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.89 1ywl h LEU 89 N 0.78 -1.30-10.45 0.26 -0.00 -0.86 -3.41 115.31 100.33 1ywl h LEU 89 Ca 0.17 0.18 -0.44 0.00 -0.00 0.00 0.00 57.88 57.79 1ywl h LEU 89 Cb 0.30 0.54 0.16 0.00 -0.00 0.00 0.00 40.66 41.67 1ywl h LEU 89 CO -0.00 -0.25 0.22 -1.61 -0.00 0.00 0.00 178.44 176.80 1ywl s GLU 90 N -4.75 0.09 -0.43 1.13 2.02 -1.16 -5.04 118.70 110.55 1ywl s GLU 90 Ca -0.09 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.14 1ywl s GLU 90 Cb 0.06 -1.73 0.21 0.00 0.10 0.00 0.00 34.13 32.77 1ywl s GLU 90 CO 0.41 -2.89 0.53 -2.39 0.02 0.00 0.00 175.26 170.95 1ywl n HIS 91 N -4.22 -1.42 -2.57 1.61 1.44 -1.26 -4.97 115.22 103.82 1ywl n HIS 91 Ca 0.09 -2.95 -0.33 0.00 -2.01 0.00 0.00 57.72 52.53 1ywl n HIS 91 Cb 0.59 0.36 -0.05 0.00 0.12 0.00 0.00 29.99 31.01 1ywl n HIS 91 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1ywl s HIS 92 N -0.22 3.32 0.44 -1.40 2.46 -1.26 -5.07 115.29 113.55 1ywl s HIS 92 Ca 0.33 1.54 0.06 0.00 0.47 0.00 0.00 55.06 57.46 1ywl s HIS 92 Cb 0.11 -2.86 -0.05 0.00 -0.13 0.00 0.00 32.58 29.66 1ywl s HIS 92 CO -0.15 -0.35 0.11 -1.58 -2.47 0.00 0.00 174.74 170.30 1ywl s HIS 93 N -2.36 2.37 -0.30 3.88 2.46 -1.26 -5.14 115.29 114.94 1ywl s HIS 93 Ca 0.61 -0.70 -0.17 0.00 0.47 0.00 0.00 55.06 55.27 1ywl s HIS 93 Cb -0.10 -1.84 0.20 0.00 -0.13 0.00 0.00 32.58 30.70 1ywl s HIS 93 CO 0.23 0.23 1.22 -1.58 -2.47 0.00 0.00 174.74 172.37 1ywl s HIS 94 N -2.70 -0.16 -0.15 3.88 2.46 -1.26 -5.08 115.29 112.27 1ywl s HIS 94 Ca 0.32 0.31 -0.14 0.00 0.47 0.00 0.00 55.06 56.02 1ywl s HIS 94 Cb 0.05 0.10 -0.05 0.00 -0.13 0.00 0.00 32.58 32.55 1ywl s HIS 94 CO 0.18 -0.08 -0.28 1.58 -2.47 0.00 0.00 174.74 173.67 1ywl n HIS 95 N 3.80 0.17 -0.34 3.88 -0.00 -1.26 -5.24 115.22 116.23 1ywl n HIS 95 Ca -0.13 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1ywl n HIS 95 Cb 0.56 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 1ywl n HIS 95 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52