#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 0.89 -3.47 0.03 -0.58 -1.26 -5.07 120.64 111.19 1ywl n GLU 2 Ca 0.00 -0.51 -0.43 0.00 -0.42 0.00 0.00 57.16 55.80 1ywl n GLU 2 Cb 0.00 -0.05 -0.08 0.00 -0.57 0.00 0.00 31.44 30.75 1ywl n GLU 2 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ywl s ASN 3 N -1.60 5.90 -0.09 1.62 0.02 -1.26 -4.97 114.94 114.56 1ywl s ASN 3 Ca 0.10 -1.72 0.01 0.00 -1.02 0.00 0.00 52.86 50.24 1ywl s ASN 3 Cb -0.01 -2.09 -0.02 0.00 0.02 0.00 0.00 41.25 39.15 1ywl s ASN 3 CO 0.06 -0.71 -0.12 -0.75 0.02 0.00 0.00 177.10 175.61 1ywl s LYS 4 N 1.48 2.92 0.44 -0.60 2.20 -1.26 -0.15 119.74 124.77 1ywl s LYS 4 Ca 0.04 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1ywl s LYS 4 Cb -0.26 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1ywl s LYS 4 CO 0.02 0.47 0.00 0.36 -0.36 0.00 0.00 175.35 175.84 1ywl n LYS 5 N 2.77 -2.69 0.00 4.03 2.85 -1.26 -4.94 118.16 118.92 1ywl n LYS 5 Ca -0.18 2.06 0.00 0.00 -1.05 0.00 0.00 58.31 59.14 1ywl n LYS 5 Cb 0.52 -3.28 0.00 0.00 -0.65 0.00 0.00 35.03 31.62 1ywl n LYS 5 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ywl n SER 6 N -4.27 0.00 -3.67 -5.58 7.64 -1.26 -4.78 113.62 101.70 1ywl n SER 6 Ca -0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 1ywl n SER 6 Cb 0.64 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.00 -0.01 -0.12 1.43 3.76 -0.93 -4.60 115.29 114.81 1ywl s HIS 7 Ca 0.00 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.29 1ywl s HIS 7 Cb 0.00 -0.40 0.01 0.00 1.11 0.00 0.00 32.58 33.29 1ywl s HIS 7 CO 0.00 -0.21 -0.22 0.71 -0.85 0.00 0.00 174.74 174.17 1ywl s TYR 8 N 2.14 2.63 -0.34 1.40 1.51 -0.49 0.32 117.35 124.53 1ywl s TYR 8 Ca 0.04 -1.21 -0.26 0.00 -1.01 0.00 0.00 57.07 54.64 1ywl s TYR 8 Cb -0.12 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1ywl s TYR 8 CO -0.04 -0.53 0.91 0.12 -1.11 0.00 0.00 175.55 174.90 1ywl s PHE 9 N 0.62 3.14 -0.21 2.71 5.36 -0.43 -1.50 117.98 127.67 1ywl s PHE 9 Ca -0.12 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1ywl s PHE 9 Cb -0.16 -3.50 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 1ywl s PHE 9 CO 0.03 -0.72 -0.15 1.52 -1.46 0.00 0.00 175.22 174.43 1ywl s TYR 10 N 3.32 2.89 0.29 10.12 1.13 -1.01 -1.60 117.35 132.48 1ywl s TYR 10 Ca 0.37 -1.87 -0.03 0.00 -1.41 0.00 0.00 57.07 54.13 1ywl s TYR 10 Cb -0.13 -1.88 -0.05 0.00 -1.10 0.00 0.00 41.96 38.81 1ywl s TYR 10 CO 0.16 -0.82 0.53 0.08 -2.51 0.00 0.00 175.55 172.99 1ywl s VAL 11 N 1.24 5.06 -0.16 -3.49 1.01 -0.73 -2.14 120.40 121.19 1ywl s VAL 11 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1ywl s VAL 11 Cb -0.16 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1ywl s VAL 11 CO -0.09 -0.34 0.35 -1.48 0.00 0.00 0.00 175.10 173.53 1ywl s LEU 12 N -3.64 -0.41 0.07 3.92 2.34 0.09 -3.78 118.68 117.26 1ywl s LEU 12 Ca 0.43 0.81 -0.11 0.00 0.06 0.00 0.00 54.13 55.31 1ywl s LEU 12 Cb -0.11 1.07 -0.06 0.00 -0.56 0.00 0.00 46.19 46.54 1ywl s LEU 12 CO 0.31 -0.23 0.41 -0.22 -1.06 0.00 0.00 176.35 175.56 1ywl s LEU 13 N 2.37 4.37 0.43 1.48 0.20 -0.19 -2.41 118.68 124.92 1ywl s LEU 13 Ca -0.02 0.84 0.08 0.00 0.69 0.00 0.00 54.13 55.73 1ywl s LEU 13 Cb -0.12 -2.93 -0.01 0.00 -0.43 0.00 0.00 46.19 42.70 1ywl s LEU 13 CO -0.11 0.19 0.41 0.00 -0.29 0.00 0.00 176.35 176.56 1ywl h GLN 15 N 0.95 0.01 -0.44 0.00 1.08 -1.94 0.49 115.11 115.26 1ywl h GLN 15 Ca -0.41 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 56.92 1ywl h GLN 15 Cb 1.27 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 1ywl h GLN 15 CO 0.55 0.01 0.46 0.22 -0.95 0.00 0.00 178.83 179.12 1ywl h ASP 16 N 0.01 0.00 -0.03 1.46 1.82 -1.96 -3.44 116.42 114.28 1ywl h ASP 16 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1ywl h ASP 16 Cb 0.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1ywl h ASP 16 CO -0.39 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 1ywl n GLY 17 N -1.50 1.54 3.93 -0.78 0.00 0.17 -5.11 105.19 103.45 1ywl n GLY 17 Ca 0.08 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ywl n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ywl s SER 18 N -2.08 3.58 -0.22 1.61 0.01 -1.24 -4.81 113.70 110.55 1ywl s SER 18 Ca 0.00 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1ywl s SER 18 Cb 0.00 -0.46 0.09 0.00 0.21 0.00 0.00 66.02 65.86 1ywl s SER 18 CO 0.00 -2.44 0.18 -0.36 0.41 0.00 0.00 173.24 171.03 1ywl s PHE 19 N -3.71 -0.05 -0.11 2.43 0.40 -1.26 -3.26 117.98 112.42 1ywl s PHE 19 Ca 0.70 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.87 1ywl s PHE 19 Cb -0.05 -0.57 -0.00 0.00 0.51 0.00 0.00 43.02 42.90 1ywl s PHE 19 CO 0.51 -0.66 -0.22 -0.47 0.70 0.00 0.00 175.22 175.07 1ywl s TYR 20 N 2.23 2.60 -0.09 0.36 6.14 -1.01 -4.96 117.35 122.63 1ywl s TYR 20 Ca 0.06 -1.01 0.04 0.00 0.64 0.00 0.00 57.07 56.81 1ywl s TYR 20 Cb -0.16 -1.74 0.00 0.00 0.42 0.00 0.00 41.96 40.49 1ywl s TYR 20 CO -0.19 -0.40 -0.22 0.20 0.64 0.00 0.00 175.55 175.59 1ywl s GLY 21 N 0.37 1.20 0.28 8.97 0.00 -1.26 -0.73 107.32 116.15 1ywl s GLY 21 Ca -0.17 -0.86 0.10 0.00 0.00 0.00 0.00 44.72 43.79 1ywl s GLY 21 CO 0.08 -0.28 -0.04 -0.32 0.00 0.00 0.00 173.10 172.54 1ywl s GLY 22 N 0.33 1.73 -0.53 0.20 0.00 -0.91 -4.95 107.32 103.20 1ywl s GLY 22 Ca -0.16 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 1ywl s GLY 22 CO 0.07 -1.78 0.36 -2.52 0.00 0.00 0.00 173.10 169.23 1ywl s TYR 23 N -2.38 3.50 0.16 1.90 1.13 -1.26 -2.41 117.35 117.99 1ywl s TYR 23 Ca 0.32 -2.36 -0.24 0.00 -1.41 0.00 0.00 57.07 53.37 1ywl s TYR 23 Cb -0.06 -3.32 0.07 0.00 -1.10 0.00 0.00 41.96 37.55 1ywl s TYR 23 CO 0.19 -0.93 0.98 -0.08 -2.51 0.00 0.00 175.55 173.19 1ywl s THR 24 N 0.70 0.00 -0.09 -3.49 -1.32 -0.56 -4.81 115.64 106.08 1ywl s THR 24 Ca 0.11 -0.65 0.04 0.00 -1.21 0.00 0.00 61.69 59.98 1ywl s THR 24 Cb -0.22 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1ywl s THR 24 CO -0.03 0.00 -0.21 0.42 -2.21 0.00 0.00 174.62 172.59 1ywl s THR 25 N -3.08 1.79 -0.24 5.08 -4.23 -1.26 -1.40 115.64 112.31 1ywl s THR 25 Ca 0.14 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1ywl s THR 25 Cb -0.01 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.26 1ywl s THR 25 CO 0.03 0.50 0.22 -0.62 -0.54 0.00 0.00 174.62 174.21 1ywl n GLU 26 N 3.54 -0.45 0.06 3.99 1.02 0.79 -4.72 120.64 124.87 1ywl n GLU 26 Ca -0.20 0.70 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 1ywl n GLU 26 Cb 0.53 -2.79 0.46 0.00 -0.02 0.00 0.00 31.44 29.61 1ywl n GLU 26 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ywl n PRO 27 N -1.39 0.12 0.27 3.49 -0.04 -1.26 -3.52 135.00 132.68 1ywl n PRO 27 Ca -0.00 0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 1ywl n PRO 27 Cb 0.51 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 1ywl n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ywl h GLU 28 N 0.00 -0.89 -0.26 0.54 5.08 -1.98 1.48 114.58 118.55 1ywl h GLU 28 Ca 0.00 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ywl h GLU 28 Cb 0.47 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ywl h GLU 28 CO 0.00 -0.59 -0.20 0.07 -1.00 0.00 0.00 179.01 177.28 1ywl h ARG 29 N -0.92 0.46 -0.29 2.33 0.11 -1.96 -2.73 114.38 111.38 1ywl h ARG 29 Ca -0.05 -0.16 -0.04 0.00 0.10 0.00 0.00 59.98 59.84 1ywl h ARG 29 Cb 0.81 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.84 1ywl h ARG 29 CO -0.06 0.65 0.03 -0.09 0.10 0.00 0.00 179.97 180.60 1ywl h ARG 30 N 0.42 0.48 0.20 0.08 2.43 -1.48 -0.57 114.38 115.94 1ywl h ARG 30 Ca 0.07 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ywl h ARG 30 Cb 0.59 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1ywl h ARG 30 CO 0.04 0.61 -0.30 1.25 -1.51 0.00 0.00 179.97 180.06 1ywl h LEU 31 N 0.29 -0.86 -1.32 3.80 5.85 0.23 -1.30 115.31 122.00 1ywl h LEU 31 Ca 0.09 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.08 1ywl h LEU 31 Cb 0.37 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1ywl h LEU 31 CO 0.01 -0.36 0.61 0.00 -0.34 0.00 0.00 178.44 178.36 1ywl h THR 32 N -0.53 0.68 0.00 1.05 1.03 -1.52 -1.86 112.91 111.77 1ywl h THR 32 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1ywl h THR 32 Cb 0.48 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 1ywl h THR 32 CO -0.09 0.10 0.00 -0.62 -0.01 0.00 0.00 175.52 174.90 1ywl n GLU 33 N -4.60 0.00 -0.30 0.00 1.02 -0.22 -0.56 120.64 115.98 1ywl n GLU 33 Ca 0.21 0.55 0.12 0.00 -0.02 0.00 0.00 57.16 58.02 1ywl n GLU 33 Cb 0.66 -1.35 0.26 0.00 -0.02 0.00 0.00 31.44 30.99 1ywl n GLU 33 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ywl h HIS 34 N 0.00 0.17 -0.14 -0.32 -0.00 -0.99 0.67 115.15 114.53 1ywl h HIS 34 Ca 0.00 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1ywl h HIS 34 Cb 0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 1ywl h HIS 34 CO -0.17 -0.27 -0.39 -0.91 -0.00 0.00 0.00 177.93 176.19 1ywl h ASN 35 N 0.13 -1.24 -0.30 3.26 2.35 -0.84 -2.04 115.58 116.89 1ywl h ASN 35 Ca 0.53 0.15 0.06 0.00 -0.55 0.00 0.00 56.30 56.49 1ywl h ASN 35 Cb 1.06 0.49 -0.08 0.00 0.05 0.00 0.00 38.32 39.84 1ywl h ASN 35 CO -0.72 -0.33 -0.42 -1.28 -1.65 0.00 0.00 177.43 173.03 1ywl h SER 36 N -0.38 -1.37 -4.18 5.81 0.87 0.14 -3.39 113.55 111.06 1ywl h SER 36 Ca 0.03 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1ywl h SER 36 Cb 0.47 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ywl h SER 36 CO -0.33 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 176.19 1ywl n GLY 37 N -1.42 4.26 2.15 5.77 0.00 -0.45 -4.85 105.19 110.64 1ywl n GLY 37 Ca -0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ywl n GLY 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ywl n THR 38 N -1.82 0.00 -2.72 2.61 -1.04 -1.26 -4.78 114.28 105.26 1ywl n THR 38 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ywl n THR 38 Cb 0.00 -0.05 0.02 0.00 -1.82 0.00 0.00 70.33 68.47 1ywl n THR 38 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ywl s GLY 39 N -2.32 -1.69 0.25 3.41 0.00 -1.26 -5.17 107.32 100.54 1ywl s GLY 39 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.63 1ywl s GLY 39 CO 0.00 4.33 0.57 0.00 0.00 0.00 0.00 173.10 178.00 1ywl s ALA 40 N 1.63 -0.70 -0.01 3.20 0.00 -1.26 -5.16 121.76 119.46 1ywl s ALA 40 Ca 0.18 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1ywl s ALA 40 Cb 0.07 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1ywl s ALA 40 CO -0.14 -0.91 -0.25 0.21 0.00 0.00 0.00 175.76 174.67 1ywl s LYS 41 N -3.96 1.99 0.00 0.00 2.20 -1.26 -4.81 119.74 113.90 1ywl s LYS 41 Ca 0.16 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1ywl s LYS 41 Cb -0.03 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1ywl s LYS 41 CO 0.06 0.53 0.00 0.98 -0.36 0.00 0.00 175.35 176.57 1ywl n TYR 42 N 2.34 0.00 -1.33 4.03 4.19 -1.26 -4.51 117.16 120.62 1ywl n TYR 42 Ca -0.16 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.66 1ywl n TYR 42 Cb 0.51 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.32 1ywl n TYR 42 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1ywl n THR 43 N 0.00 2.84 -0.10 2.97 -1.04 -1.26 -4.35 114.28 113.34 1ywl n THR 43 Ca 0.00 -2.23 -0.14 0.00 -2.04 0.00 0.00 64.05 59.65 1ywl n THR 43 Cb 0.00 -2.44 -0.05 0.00 -1.82 0.00 0.00 70.33 66.02 1ywl n THR 43 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ywl n ARG 44 N 5.82 0.53 -1.11 -2.82 1.74 -1.26 -4.61 116.66 114.95 1ywl n ARG 44 Ca 0.54 0.22 -0.15 0.00 -0.77 0.00 0.00 57.85 57.68 1ywl n ARG 44 Cb 0.34 -1.42 0.16 0.00 -1.02 0.00 0.00 32.46 30.52 1ywl n ARG 44 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ywl n LEU 45 N -4.38 5.29 -4.49 0.55 7.99 -1.26 -4.53 117.00 116.17 1ywl n LEU 45 Ca -0.23 -3.92 -0.55 0.00 -0.01 0.00 0.00 56.01 51.30 1ywl n LEU 45 Cb 0.59 -0.70 -0.08 0.00 -0.11 0.00 0.00 43.42 43.12 1ywl n LEU 45 CO 0.16 1.34 1.64 0.00 -1.51 0.00 0.00 177.39 179.02 1ywl n ALA 46 N -1.06 0.51 -0.09 -1.18 0.00 -1.26 -4.79 120.51 112.63 1ywl n ALA 46 Ca 0.45 0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 1ywl n ALA 46 Cb 1.13 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 1ywl n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ywl n LYS 47 N 7.18 0.47 -0.84 0.00 5.02 -1.26 -4.97 118.16 123.75 1ywl n LYS 47 Ca 0.39 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.52 1ywl n LYS 47 Cb 0.14 -1.30 0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1ywl n LYS 47 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ywl n ARG 48 N -4.19 -0.75 -2.22 1.97 0.00 -1.26 -4.61 116.66 105.60 1ywl n ARG 48 Ca -0.27 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.85 57.35 1ywl n ARG 48 Cb 0.61 -1.34 -0.02 0.00 -0.00 0.00 0.00 32.46 31.72 1ywl n ARG 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ywl n ARG 49 N 0.31 -2.63 -1.54 2.89 3.00 -1.26 -5.02 116.66 112.41 1ywl n ARG 49 Ca -0.01 2.20 -0.29 0.00 -0.01 0.00 0.00 57.85 59.75 1ywl n ARG 49 Cb 0.69 -3.66 0.12 0.00 0.00 0.00 0.00 32.46 29.61 1ywl n ARG 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ywl s PRO 50 N -0.89 1.47 -0.18 5.56 0.04 -1.26 -4.96 135.00 134.78 1ywl s PRO 50 Ca -0.11 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 61.30 1ywl s PRO 50 Cb 0.01 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1ywl s PRO 50 CO 0.50 -1.99 0.13 0.14 0.04 0.00 0.00 177.00 175.82 1ywl s VAL 51 N -3.23 -0.17 -0.13 -0.36 -7.23 -1.25 -4.20 120.40 103.82 1ywl s VAL 51 Ca 0.63 -0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.65 1ywl s VAL 51 Cb -0.15 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 1ywl s VAL 51 CO 0.54 -0.23 -0.04 0.27 -0.31 0.00 0.00 175.10 175.33 1ywl s ILE 52 N 2.21 3.93 0.11 -0.62 -4.36 -0.99 -4.84 121.20 116.64 1ywl s ILE 52 Ca 0.04 -0.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.77 1ywl s ILE 52 Cb -0.16 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 1ywl s ILE 52 CO -0.10 0.53 1.01 -0.04 0.24 0.00 0.00 174.94 176.58 1ywl s MET 53 N -0.03 4.64 -0.32 0.37 -1.94 -1.26 -1.03 119.30 119.74 1ywl s MET 53 Ca 0.01 1.52 0.16 0.00 -1.71 0.00 0.00 55.69 55.68 1ywl s MET 53 Cb -0.13 -3.36 0.44 0.00 2.01 0.00 0.00 34.83 33.78 1ywl s MET 53 CO 0.03 0.12 1.36 0.44 -0.01 0.00 0.00 175.02 176.95 1ywl n ILE 54 N 2.91 0.45 0.00 2.53 -6.64 -1.25 -4.99 119.36 112.37 1ywl n ILE 54 Ca 0.03 -1.77 0.00 0.00 -1.77 0.00 0.00 62.75 59.24 1ywl n ILE 54 Cb 0.49 1.07 0.00 0.00 -1.44 0.00 0.00 39.64 39.76 1ywl n ILE 54 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1ywl n HIS 55 N -1.06 0.00 -4.75 4.28 -0.00 -1.26 -4.77 115.22 107.66 1ywl n HIS 55 Ca -0.07 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.80 1ywl n HIS 55 Cb 0.85 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.55 1ywl n HIS 55 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1ywl s THR 56 N 0.00 1.93 0.07 3.57 -4.23 -1.26 -1.77 115.64 113.95 1ywl s THR 56 Ca 0.00 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1ywl s THR 56 Cb 0.00 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1ywl s THR 56 CO 0.00 0.53 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.95 1ywl s GLU 57 N 0.74 0.68 0.03 3.99 2.02 -0.62 -4.97 118.70 120.55 1ywl s GLU 57 Ca -0.10 -1.20 0.06 0.00 0.02 0.00 0.00 54.97 53.75 1ywl s GLU 57 Cb -0.16 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.07 1ywl s GLU 57 CO 0.01 -0.06 -0.18 -1.59 0.02 0.00 0.00 175.26 173.46 1ywl s LYS 58 N -3.62 1.25 -0.30 1.61 0.00 -1.26 -1.31 119.74 116.10 1ywl s LYS 58 Ca 0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 55.97 55.21 1ywl s LYS 58 Cb 0.05 -1.29 0.10 0.00 0.00 0.00 0.00 37.83 36.69 1ywl s LYS 58 CO -0.07 0.33 0.12 -0.06 0.00 0.00 0.00 175.35 175.68 1ywl s PHE 59 N -0.71 0.88 0.34 1.78 0.08 0.15 -4.92 117.98 115.59 1ywl s PHE 59 Ca 0.05 -1.26 0.13 0.00 0.12 0.00 0.00 56.93 55.97 1ywl s PHE 59 Cb -0.08 -1.22 0.69 0.00 -0.57 0.00 0.00 43.02 41.84 1ywl s PHE 59 CO 0.01 -0.85 1.80 1.05 -0.10 0.00 0.00 175.22 177.13 1ywl h GLU 60 N 8.19 0.00 -5.86 0.44 4.11 -1.98 -2.48 114.58 117.01 1ywl h GLU 60 Ca -0.16 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.75 1ywl h GLU 60 Cb 1.01 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.11 1ywl h GLU 60 CO 0.44 0.40 -0.75 0.95 0.07 0.00 0.00 179.01 180.13 1ywl s THR 61 N -4.06 2.02 0.24 -1.06 -4.23 -1.26 -4.88 115.64 102.41 1ywl s THR 61 Ca -0.02 -2.25 0.19 0.00 -1.18 0.00 0.00 61.69 58.43 1ywl s THR 61 Cb 0.14 -2.11 0.14 0.00 1.34 0.00 0.00 72.50 72.01 1ywl s THR 61 CO 0.72 -0.49 1.79 0.08 -0.54 0.00 0.00 174.62 176.19 1ywl h ARG 62 N 2.55 0.00 0.53 3.99 0.11 -2.00 -2.71 114.38 116.85 1ywl h ARG 62 Ca -0.39 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.67 1ywl h ARG 62 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1ywl h ARG 62 CO 0.60 0.35 -0.37 0.77 0.10 0.00 0.00 179.97 181.41 1ywl h SER 63 N 0.00 -0.96 -0.38 0.08 0.02 -1.97 -1.75 113.55 108.58 1ywl h SER 63 Ca -0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ywl h SER 63 Cb 0.79 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1ywl h SER 63 CO 0.05 -0.56 0.24 -0.33 -1.14 0.00 0.00 176.83 175.09 1ywl h GLU 64 N -0.88 0.51 -0.31 3.45 5.08 -1.96 -0.70 114.58 119.77 1ywl h GLU 64 Ca -0.06 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ywl h GLU 64 Cb 0.73 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1ywl h GLU 64 CO 0.03 0.35 -0.26 0.00 -1.00 0.00 0.00 179.01 178.14 1ywl h ALA 65 N 1.12 -0.39 -0.10 3.43 0.00 -1.26 1.61 119.26 123.68 1ywl h ALA 65 Ca 0.14 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ywl h ALA 65 Cb -0.04 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ywl h ALA 65 CO -0.03 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 178.76 1ywl h THR 66 N -0.10 0.79 0.62 0.00 1.03 -1.22 0.43 112.91 114.47 1ywl h THR 66 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.42 1ywl h THR 66 Cb 0.23 0.94 0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1ywl h THR 66 CO -0.34 0.00 -0.30 0.50 -0.01 0.00 0.00 175.52 175.37 1ywl h LYS 67 N 0.00 -0.80 -0.33 0.00 3.64 0.20 0.29 116.57 119.57 1ywl h LYS 67 Ca 0.05 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1ywl h LYS 67 Cb 0.20 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1ywl h LYS 67 CO -0.00 -0.51 0.23 0.00 -2.27 0.00 0.00 179.45 176.91 1ywl h ALA 68 N -1.09 2.18 0.40 5.00 0.00 0.24 -1.23 119.26 124.76 1ywl h ALA 68 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ywl h ALA 68 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ywl h ALA 68 CO 0.14 -0.27 -0.19 0.93 0.00 0.00 0.00 179.25 179.86 1ywl h GLU 69 N 0.10 -0.52 -0.78 0.00 4.39 -0.75 0.27 114.58 117.30 1ywl h GLU 69 Ca 0.15 0.04 0.18 0.00 0.34 0.00 0.00 59.36 60.07 1ywl h GLU 69 Cb 0.48 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.13 1ywl h GLU 69 CO -0.02 -0.22 0.17 0.00 -1.16 0.00 0.00 179.01 177.79 1ywl h ALA 70 N -0.72 1.02 0.45 3.43 0.00 0.17 1.15 119.26 124.75 1ywl h ALA 70 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ywl h ALA 70 Cb 0.54 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ywl h ALA 70 CO 0.09 -0.38 -0.22 0.00 0.00 0.00 0.00 179.25 178.75 1ywl h ALA 71 N 1.67 -0.61 -0.40 0.00 0.00 -1.24 -2.05 119.26 116.62 1ywl h ALA 71 Ca 0.45 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1ywl h ALA 71 Cb 0.81 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1ywl h ALA 71 CO -0.56 -0.70 -0.17 0.35 0.00 0.00 0.00 179.25 178.16 1ywl h PHE 72 N -0.88 -0.42 -0.09 0.00 3.04 0.10 0.81 116.94 119.51 1ywl h PHE 72 Ca -0.06 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ywl h PHE 72 Cb 0.57 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 1ywl h PHE 72 CO 0.01 -0.25 0.14 0.87 -2.02 0.00 0.00 178.31 177.06 1ywl h LYS 73 N -0.09 0.00 0.09 1.11 1.79 0.13 0.23 116.57 119.83 1ywl h LYS 73 Ca 0.20 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.38 1ywl h LYS 73 Cb 0.40 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1ywl h LYS 73 CO -0.47 0.00 -1.47 0.87 -1.08 0.00 0.00 179.45 177.30 1ywl h LYS 74 N 0.00 0.19 -7.17 3.15 1.57 0.11 -3.46 116.57 110.96 1ywl h LYS 74 Ca 0.04 -0.33 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 1ywl h LYS 74 Cb 0.32 0.12 0.10 0.00 0.08 0.00 0.00 32.23 32.85 1ywl h LYS 74 CO -0.00 1.04 0.39 -0.51 -0.57 0.00 0.00 179.45 179.80 1ywl s LEU 75 N -6.86 3.47 0.00 2.94 1.43 0.14 -5.05 118.68 114.75 1ywl s LEU 75 Ca -0.07 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1ywl s LEU 75 Cb 0.07 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1ywl s LEU 75 CO 0.85 -1.55 0.00 1.07 0.23 0.00 0.00 176.35 176.94 1ywl n THR 76 N -2.17 0.00 0.20 5.49 5.66 -1.26 -4.88 114.28 117.31 1ywl n THR 76 Ca 0.11 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.17 1ywl n THR 76 Cb 0.52 -0.17 0.30 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.09 0.07 0.00 1.09 0.00 -1.26 -1.53 116.66 114.93 1ywl n ARG 77 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1ywl n ARG 77 Cb 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 32.46 30.77 1ywl n ARG 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ywl n LYS 78 N -1.83 0.00 -0.36 2.89 5.02 -1.26 -3.35 118.16 119.26 1ywl n LYS 78 Ca 0.01 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.48 1ywl n LYS 78 Cb 0.07 -0.51 0.13 0.00 -0.02 0.00 0.00 35.03 34.71 1ywl n LYS 78 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ywl n GLN 79 N -1.74 -0.10 0.08 1.97 3.00 -1.21 0.62 117.38 119.99 1ywl n GLN 79 Ca 0.00 1.56 -0.12 0.00 -0.01 0.00 0.00 57.00 58.43 1ywl n GLN 79 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 30.24 27.86 1ywl n GLN 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ywl h LYS 80 N 0.00 -0.42 -0.49 -1.09 1.57 -1.50 0.19 116.57 114.82 1ywl h LYS 80 Ca 0.47 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.42 1ywl h LYS 80 Cb 0.72 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1ywl h LYS 80 CO -1.03 -0.28 0.49 1.49 -0.57 0.00 0.00 179.45 179.56 1ywl h GLU 81 N -0.44 0.00 -0.19 3.15 4.81 0.18 0.18 114.58 122.28 1ywl h GLU 81 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1ywl h GLU 81 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1ywl h GLU 81 CO -0.21 0.00 -0.07 0.37 -0.73 0.00 0.00 179.01 178.36 1ywl h GLN 82 N 0.00 0.38 -0.96 1.92 5.75 0.14 -2.71 115.11 119.63 1ywl h GLN 82 Ca 0.23 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 1ywl h GLN 82 Cb 1.22 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.69 1ywl h GLN 82 CO -0.00 0.67 0.63 -0.92 -2.65 0.00 0.00 178.83 176.55 1ywl h TYR 83 N 0.08 1.16 -0.03 3.99 5.03 -0.10 0.11 116.97 127.21 1ywl h TYR 83 Ca 0.04 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.40 1ywl h TYR 83 Cb 0.55 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1ywl h TYR 83 CO 0.06 0.65 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.43 1ywl h LEU 84 N 1.17 -0.13 0.68 2.82 -0.00 -1.35 -1.24 115.31 117.26 1ywl h LEU 84 Ca 0.39 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.27 1ywl h LEU 84 Cb 0.07 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1ywl h LEU 84 CO -0.13 -0.06 -0.33 0.50 -0.00 0.00 0.00 178.44 178.41 1ywl h LYS 85 N -0.06 -0.88 -1.54 1.13 3.64 -1.07 0.54 116.57 118.32 1ywl h LYS 85 Ca 0.03 0.06 0.49 0.00 -1.27 0.00 0.00 60.65 59.96 1ywl h LYS 85 Cb 0.11 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.02 1ywl h LYS 85 CO -0.07 -0.59 1.05 0.25 -2.27 0.00 0.00 179.45 177.82 1ywl n THR 86 N -4.57 -0.14 0.02 1.00 -2.24 0.31 0.17 114.28 108.82 1ywl n THR 86 Ca -0.11 1.60 -0.21 0.00 -2.27 0.00 0.00 64.05 63.05 1ywl n THR 86 Cb 0.36 -2.63 -0.14 0.00 -2.10 0.00 0.00 70.33 65.82 1ywl n THR 86 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ywl h PHE 87 N 0.00 0.47 -0.80 4.78 3.57 -0.69 -3.29 116.94 120.98 1ywl h PHE 87 Ca 0.86 -0.34 0.07 0.00 3.53 0.00 0.00 57.97 62.09 1ywl h PHE 87 Cb 3.06 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 41.72 1ywl h PHE 87 CO -0.00 1.45 0.48 1.25 -2.23 0.00 0.00 178.31 179.26 1ywl h HIS 88 N -0.35 0.88 0.05 0.41 2.76 0.69 -2.81 115.15 116.79 1ywl h HIS 88 Ca -0.24 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1ywl h HIS 88 Cb 1.70 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 1ywl h HIS 88 CO 0.15 0.42 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.93 1ywl h LEU 89 N 0.86 -0.61 -6.53 0.26 3.38 -0.30 -3.03 115.31 109.33 1ywl h LEU 89 Ca 0.36 0.06 -0.73 0.00 0.09 0.00 0.00 57.88 57.67 1ywl h LEU 89 Cb 0.22 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 1ywl h LEU 89 CO -0.19 -0.22 2.40 1.21 0.09 0.00 0.00 178.44 181.73 1ywl n GLU 90 N -3.60 3.27 0.15 1.13 2.13 -1.06 -4.72 120.64 117.93 1ywl n GLU 90 Ca -0.03 -3.18 -0.06 0.00 0.66 0.00 0.00 57.16 54.54 1ywl n GLU 90 Cb 0.16 -3.13 -0.03 0.00 0.27 0.00 0.00 31.44 28.71 1ywl n GLU 90 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ywl h HIS 91 N 6.14 -0.39 -6.36 4.31 -0.00 -1.53 -3.47 115.15 113.86 1ywl h HIS 91 Ca 0.46 -0.01 -0.44 0.00 -0.00 0.00 0.00 60.37 60.38 1ywl h HIS 91 Cb 0.68 0.13 0.05 0.00 -0.00 0.00 0.00 27.41 28.27 1ywl h HIS 91 CO 1.33 -0.24 -0.91 1.58 -0.00 0.00 0.00 177.93 179.69 1ywl n HIS 92 N -4.15 -1.90 -4.35 5.26 -0.00 -1.26 -4.97 115.22 103.84 1ywl n HIS 92 Ca -0.05 0.46 -0.29 0.00 -0.00 0.00 0.00 57.72 57.84 1ywl n HIS 92 Cb 0.17 -3.29 -0.12 0.00 -0.00 0.00 0.00 29.99 26.75 1ywl n HIS 92 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1ywl s HIS 93 N -3.39 2.41 -0.13 1.57 2.46 -1.26 -5.13 115.29 111.81 1ywl s HIS 93 Ca 0.40 -0.33 -0.28 0.00 0.47 0.00 0.00 55.06 55.32 1ywl s HIS 93 Cb -0.16 -1.29 0.07 0.00 -0.13 0.00 0.00 32.58 31.07 1ywl s HIS 93 CO 0.88 0.36 0.68 -1.01 -2.47 0.00 0.00 174.74 173.18 1ywl s HIS 94 N -1.11 -0.69 -0.10 3.88 3.76 -1.26 -5.16 115.29 114.60 1ywl s HIS 94 Ca 0.16 1.40 -0.03 0.00 -0.15 0.00 0.00 55.06 56.44 1ywl s HIS 94 Cb -0.10 0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.90 1ywl s HIS 94 CO 0.08 -0.51 0.01 -1.58 -0.85 0.00 0.00 174.74 171.89 1ywl s HIS 95 N -0.58 3.19 0.00 1.40 2.46 -1.26 -5.34 115.29 115.15 1ywl s HIS 95 Ca -0.07 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.62 1ywl s HIS 95 Cb -0.02 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 1ywl s HIS 95 CO 0.06 0.40 0.00 1.58 -2.47 0.00 0.00 174.74 174.32