#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 -1.50 -1.01 0.03 4.71 -1.26 -4.89 120.64 116.72 1ywl n GLU 2 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.18 1ywl n GLU 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 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 -2.58 -5.45 0.00 1.62 4.13 -1.26 -4.84 115.26 106.88 1ywl n ASN 3 Ca 0.00 1.17 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1ywl n ASN 3 Cb 0.00 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 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 -2.56 0.00 -0.30 3.52 0.00 -1.26 -4.74 118.16 112.82 1ywl n LYS 4 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.17 1ywl n LYS 4 Cb 0.35 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.51 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 -0.80 -1.66 -1.20 1.64 5.02 -1.26 -4.68 118.16 115.22 1ywl n LYS 5 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1ywl n LYS 5 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ywl n LYS 5 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ywl n SER 6 N -2.21 -6.76 -4.69 4.39 3.41 -1.26 -4.86 113.62 101.65 1ywl n SER 6 Ca 0.06 0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 59.19 1ywl n SER 6 Cb 0.25 -3.30 -0.04 0.00 -0.26 0.00 0.00 64.21 60.86 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 -2.84 3.48 -0.16 7.33 3.76 0.35 -4.66 115.29 122.56 1ywl s HIS 7 Ca 0.00 1.32 -0.04 0.00 -0.15 0.00 0.00 55.06 56.19 1ywl s HIS 7 Cb 0.00 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 1ywl s HIS 7 CO 0.00 -0.14 -0.02 0.71 -0.85 0.00 0.00 174.74 174.43 1ywl s TYR 8 N 1.73 3.05 -0.24 1.40 2.02 -1.01 -1.60 117.35 122.71 1ywl s TYR 8 Ca 0.40 -0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.79 1ywl s TYR 8 Cb -0.17 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1ywl s TYR 8 CO 0.16 -0.02 -0.01 0.12 -1.57 0.00 0.00 175.55 174.22 1ywl s PHE 9 N 0.39 3.02 -0.16 2.71 2.19 -0.52 -1.35 117.98 124.26 1ywl s PHE 9 Ca -0.03 -0.93 -0.01 0.00 0.33 0.00 0.00 56.93 56.29 1ywl s PHE 9 Cb -0.14 -2.15 -0.01 0.00 -1.31 0.00 0.00 43.02 39.42 1ywl s PHE 9 CO 0.03 -0.54 -0.12 1.52 1.83 0.00 0.00 175.22 177.93 1ywl s TYR 10 N 1.49 2.83 -0.69 10.12 -0.85 -0.89 -2.58 117.35 126.78 1ywl s TYR 10 Ca 0.05 -0.88 -0.08 0.00 -0.52 0.00 0.00 57.07 55.63 1ywl s TYR 10 Cb -0.15 -1.91 0.18 0.00 0.38 0.00 0.00 41.96 40.46 1ywl s TYR 10 CO -0.01 -0.39 0.57 0.08 -1.52 0.00 0.00 175.55 174.27 1ywl s VAL 11 N 0.76 4.59 0.05 -3.49 1.01 -1.26 -2.20 120.40 119.86 1ywl s VAL 11 Ca -0.05 -2.61 -0.12 0.00 0.00 0.00 0.00 61.98 59.20 1ywl s VAL 11 Cb -0.15 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1ywl s VAL 11 CO 0.01 -0.93 0.41 -1.48 0.00 0.00 0.00 175.10 173.11 1ywl s LEU 12 N 0.21 4.39 -0.07 3.92 -0.00 -0.69 -3.40 118.68 123.04 1ywl s LEU 12 Ca 0.16 0.86 -0.00 0.00 -0.00 0.00 0.00 54.13 55.15 1ywl s LEU 12 Cb -0.17 -2.85 -0.03 0.00 -0.00 0.00 0.00 46.19 43.14 1ywl s LEU 12 CO -0.05 0.22 -0.03 -0.22 -0.00 0.00 0.00 176.35 176.27 1ywl s LEU 13 N -1.62 3.37 0.40 1.48 0.20 -0.19 -2.03 118.68 120.28 1ywl s LEU 13 Ca 0.30 0.04 -0.01 0.00 0.69 0.00 0.00 54.13 55.16 1ywl s LEU 13 Cb -0.15 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 1ywl s LEU 13 CO 0.16 0.36 0.62 0.00 -0.29 0.00 0.00 176.35 177.20 1ywl h GLN 15 N 0.56 -0.14 -0.88 0.00 -0.00 -1.89 0.75 115.11 113.52 1ywl h GLN 15 Ca -0.48 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.34 1ywl h GLN 15 Cb 1.23 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 28.64 1ywl h GLN 15 CO 0.60 -0.09 0.46 0.22 0.00 0.00 0.00 178.83 180.01 1ywl h ASP 16 N -0.15 0.54 0.00 -0.69 1.82 -1.94 -3.45 116.42 112.55 1ywl h ASP 16 Ca 0.20 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1ywl h ASP 16 Cb 0.54 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1ywl h ASP 16 CO -0.80 0.20 0.00 0.61 -1.61 0.00 0.00 179.24 177.64 1ywl n GLY 17 N -1.33 1.00 3.58 -0.78 0.00 0.26 -5.11 105.19 102.81 1ywl n GLY 17 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.47 6.35 -0.63 1.61 0.01 -1.23 -4.79 113.70 113.56 1ywl s SER 18 Ca 0.00 0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 1ywl s SER 18 Cb 0.00 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 64.01 1ywl s SER 18 CO 0.00 -0.42 1.02 -0.36 0.41 0.00 0.00 173.24 173.89 1ywl s PHE 19 N 2.37 2.65 -0.14 2.43 0.40 -1.26 -2.21 117.98 122.22 1ywl s PHE 19 Ca 0.19 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1ywl s PHE 19 Cb -0.15 -4.27 -0.01 0.00 0.51 0.00 0.00 43.02 39.09 1ywl s PHE 19 CO 0.12 -1.60 -0.12 -0.47 0.70 0.00 0.00 175.22 173.85 1ywl s TYR 20 N 4.33 2.83 -0.07 0.36 6.14 -0.86 -5.00 117.35 125.08 1ywl s TYR 20 Ca 0.28 -0.70 0.04 0.00 0.64 0.00 0.00 57.07 57.33 1ywl s TYR 20 Cb -0.13 -1.88 -0.02 0.00 0.42 0.00 0.00 41.96 40.35 1ywl s TYR 20 CO 0.15 -0.27 -0.19 0.20 0.64 0.00 0.00 175.55 176.09 1ywl s GLY 21 N 0.52 1.43 -0.08 8.97 0.00 -1.26 -1.71 107.32 115.19 1ywl s GLY 21 Ca -0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1ywl s GLY 21 CO 0.04 -0.63 -0.05 -0.32 0.00 0.00 0.00 173.10 172.14 1ywl s GLY 22 N -0.32 0.61 -0.43 0.20 0.00 -0.94 -4.96 107.32 101.49 1ywl s GLY 22 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.38 1ywl s GLY 22 CO 0.02 0.74 0.27 -2.52 0.00 0.00 0.00 173.10 171.62 1ywl s TYR 23 N 1.47 3.36 0.21 1.90 1.13 -1.26 -2.08 117.35 122.08 1ywl s TYR 23 Ca -0.01 -1.60 -0.21 0.00 -1.41 0.00 0.00 57.07 53.84 1ywl s TYR 23 Cb -0.13 -3.04 0.07 0.00 -1.10 0.00 0.00 41.96 37.76 1ywl s TYR 23 CO -0.04 -0.87 1.00 -2.37 -2.51 0.00 0.00 175.55 170.76 1ywl n THR 24 N 4.91 0.00 -4.12 -3.49 5.66 -0.46 -4.85 114.28 111.93 1ywl n THR 24 Ca -0.10 -0.62 -0.35 0.00 -3.05 0.00 0.00 64.05 59.93 1ywl n THR 24 Cb 0.43 0.81 -0.09 0.00 -1.55 0.00 0.00 70.33 69.92 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 4.75 -0.93 1.09 -4.23 -1.26 -2.39 115.64 110.60 1ywl s THR 25 Ca 0.22 -0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 1ywl s THR 25 Cb -0.03 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1ywl s THR 25 CO 0.06 0.54 0.82 -0.62 -0.54 0.00 0.00 174.62 174.89 1ywl n GLU 26 N 2.73 -1.82 0.11 3.99 1.02 -1.26 -4.85 120.64 120.57 1ywl n GLU 26 Ca -0.18 1.08 -0.03 0.00 -0.02 0.00 0.00 57.16 58.01 1ywl n GLU 26 Cb 0.53 -5.62 0.07 0.00 -0.02 0.00 0.00 31.44 26.40 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 -0.53 0.00 -0.68 3.49 0.13 -1.95 -2.99 132.00 129.46 1ywl h PRO 27 Ca -0.38 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.88 1ywl h PRO 27 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1ywl h PRO 27 CO 0.39 0.74 -0.16 0.93 -0.23 0.00 0.00 178.00 179.67 1ywl h GLU 28 N 0.00 0.01 0.04 0.86 4.39 -1.98 1.33 114.58 119.23 1ywl h GLU 28 Ca -0.01 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ywl h GLU 28 Cb 1.32 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1ywl h GLU 28 CO 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.93 1ywl h ARG 29 N 0.01 -0.06 -0.72 2.33 3.08 -1.95 -2.61 114.38 114.46 1ywl h ARG 29 Ca 0.33 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.54 1ywl h ARG 29 Cb 0.51 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.46 1ywl h ARG 29 CO -0.70 0.58 0.11 -0.09 -1.07 0.00 0.00 179.97 178.80 1ywl h ARG 30 N -0.78 0.20 0.93 0.04 2.43 -1.20 0.17 114.38 116.17 1ywl h ARG 30 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1ywl h ARG 30 Cb 0.66 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1ywl h ARG 30 CO 0.01 0.13 -0.48 1.25 -1.51 0.00 0.00 179.97 179.37 1ywl h LEU 31 N 0.20 -1.16 -0.67 3.80 6.46 0.17 -2.56 115.31 121.55 1ywl h LEU 31 Ca 0.40 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.31 1ywl h LEU 31 Cb 0.68 0.31 -0.12 0.00 -0.73 0.00 0.00 40.66 40.80 1ywl h LEU 31 CO -0.54 -0.79 -0.39 0.74 -0.62 0.00 0.00 178.44 176.84 1ywl h THR 32 N -1.29 0.11 -0.81 1.05 2.02 -0.89 -0.14 112.91 112.96 1ywl h THR 32 Ca -0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1ywl h THR 32 Cb 1.00 0.11 -0.12 0.00 -1.74 0.00 0.00 68.15 67.40 1ywl h THR 32 CO 0.19 0.00 -0.52 -0.33 0.37 0.00 0.00 175.52 175.23 1ywl h GLU 33 N -0.15 -0.11 -0.26 6.66 4.39 -0.56 0.55 114.58 125.09 1ywl h GLU 33 Ca 0.23 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1ywl h GLU 33 Cb 0.56 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1ywl h GLU 33 CO -0.74 -0.07 -0.53 1.25 -1.16 0.00 0.00 179.01 177.75 1ywl h HIS 34 N -0.12 -1.59 -0.77 4.33 -0.00 -0.63 0.05 115.15 116.43 1ywl h HIS 34 Ca 0.18 0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.69 1ywl h HIS 34 Cb 0.51 0.73 -0.10 0.00 -0.00 0.00 0.00 27.41 28.54 1ywl h HIS 34 CO -0.88 -0.51 -0.54 -0.91 -0.00 0.00 0.00 177.93 175.08 1ywl h ASN 35 N -0.49 -1.94 -0.53 3.26 2.35 -0.20 0.93 115.58 118.95 1ywl h ASN 35 Ca 0.06 0.28 0.08 0.00 -0.55 0.00 0.00 56.30 56.17 1ywl h ASN 35 Cb 0.64 0.84 -0.10 0.00 0.05 0.00 0.00 38.32 39.75 1ywl h ASN 35 CO -0.51 -0.26 -0.46 -1.28 -1.65 0.00 0.00 177.43 173.27 1ywl h SER 36 N -0.11 -1.56 0.00 5.81 0.87 -0.05 -3.40 113.55 115.11 1ywl h SER 36 Ca 0.12 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1ywl h SER 36 Cb 0.44 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1ywl h SER 36 CO -0.78 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 175.78 1ywl n GLY 37 N -1.40 -3.27 2.58 5.77 0.00 0.32 -4.88 105.19 104.31 1ywl n GLY 37 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00-12.72 -3.09 2.61 -1.04 -1.22 -4.87 114.28 93.95 1ywl n THR 38 Ca 0.00 2.67 -0.44 0.00 -2.04 0.00 0.00 64.05 64.24 1ywl n THR 38 Cb 0.00 -6.56 -0.00 0.00 -1.82 0.00 0.00 70.33 61.95 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 -0.75 2.65 0.22 3.41 0.00 -1.26 -4.51 107.32 107.08 1ywl s GLY 39 Ca -0.26 -3.47 0.00 0.00 0.00 0.00 0.00 44.72 40.99 1ywl s GLY 39 CO 0.78 1.78 0.00 0.00 0.00 0.00 0.00 173.10 175.66 1ywl n ALA 40 N 4.68 3.00 -3.23 3.20 0.00 -1.26 -5.08 120.51 121.81 1ywl n ALA 40 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1ywl n ALA 40 Cb 0.42 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1ywl n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ywl s LYS 41 N -2.00 1.92 -0.41 0.00 1.02 -1.26 -5.07 119.74 113.93 1ywl s LYS 41 Ca 0.00 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 1ywl s LYS 41 Cb 0.00 -1.58 -0.06 0.00 -0.52 0.00 0.00 37.83 35.67 1ywl s LYS 41 CO 0.00 0.12 2.36 0.71 -0.92 0.00 0.00 175.35 177.62 1ywl s TYR 42 N 0.40 1.10 -0.30 3.18 2.02 -1.26 -4.85 117.35 117.64 1ywl s TYR 42 Ca -0.12 1.28 -0.14 0.00 -0.37 0.00 0.00 57.07 57.73 1ywl s TYR 42 Cb -0.15 -3.68 0.16 0.00 -0.40 0.00 0.00 41.96 37.90 1ywl s TYR 42 CO 0.04 -2.97 0.95 -0.08 -1.57 0.00 0.00 175.55 171.93 1ywl s THR 43 N 11.13 -0.55 -0.22 -0.71 -1.32 -1.26 -5.07 115.64 117.65 1ywl s THR 43 Ca 0.98 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 61.31 1ywl s THR 43 Cb -0.21 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.67 1ywl s THR 43 CO 0.29 0.00 -0.25 0.54 -2.21 0.00 0.00 174.62 172.98 1ywl n ARG 44 N 5.05 0.55 0.33 7.08 3.00 -1.26 -4.66 116.66 126.74 1ywl n ARG 44 Ca -0.09 0.32 -0.13 0.00 -0.01 0.00 0.00 57.85 57.94 1ywl n ARG 44 Cb 0.52 -1.53 -0.06 0.00 0.00 0.00 0.00 32.46 31.39 1ywl n ARG 44 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1ywl h LEU 45 N -1.00 -0.70 -2.39 0.55 4.07 -1.97 -3.42 115.31 110.44 1ywl h LEU 45 Ca -0.35 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 1ywl h LEU 45 Cb 1.25 0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1ywl h LEU 45 CO -0.21 -0.49 -0.85 0.00 -1.08 0.00 0.00 178.44 175.80 1ywl n ALA 46 N -2.43 -3.13 -0.92 1.53 0.00 -1.26 -4.89 120.51 109.41 1ywl n ALA 46 Ca -0.10 0.66 0.07 0.00 0.00 0.00 0.00 53.44 54.07 1ywl n ALA 46 Cb 0.33 -1.94 0.39 0.00 0.00 0.00 0.00 19.45 18.23 1ywl n ALA 46 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ywl n LYS 47 N 0.39 4.69 -4.12 0.00 0.00 -1.26 -4.94 118.16 112.92 1ywl n LYS 47 Ca 0.03 -3.14 -0.28 0.00 -0.00 0.00 0.00 58.31 54.93 1ywl n LYS 47 Cb 0.24 -2.22 -0.07 0.00 -0.00 0.00 0.00 35.03 32.98 1ywl n LYS 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ywl s ARG 48 N -2.78 2.69 -0.17 -1.58 1.70 -1.26 -4.84 118.95 112.71 1ywl s ARG 48 Ca 0.53 -0.90 -0.03 0.00 -0.47 0.00 0.00 55.73 54.86 1ywl s ARG 48 Cb 0.41 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1ywl s ARG 48 CO 0.15 0.50 0.12 -2.13 -1.08 0.00 0.00 175.30 172.87 1ywl n ARG 49 N 0.02 -1.38 -1.57 3.89 0.63 -1.26 -5.02 116.66 111.97 1ywl n ARG 49 Ca -0.09 1.42 -0.31 0.00 -0.92 0.00 0.00 57.85 57.95 1ywl n ARG 49 Cb 0.54 -3.20 0.06 0.00 0.45 0.00 0.00 32.46 30.31 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 -1.20 2.72 -0.10 -0.14 0.04 -1.26 -4.86 135.00 130.20 1ywl s PRO 50 Ca 0.05 0.87 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1ywl s PRO 50 Cb -0.01 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1ywl s PRO 50 CO 0.36 -1.23 -0.10 0.14 0.04 0.00 0.00 177.00 176.20 1ywl s VAL 51 N -3.08 1.16 -0.11 -0.36 -7.23 -1.26 -3.49 120.40 106.03 1ywl s VAL 51 Ca 0.59 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1ywl s VAL 51 Cb -0.14 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 1ywl s VAL 51 CO 0.55 0.38 -0.13 0.27 -0.31 0.00 0.00 175.10 175.86 1ywl s ILE 52 N 1.34 3.09 -0.31 -0.62 -4.36 -0.99 -4.87 121.20 114.49 1ywl s ILE 52 Ca -0.01 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 1ywl s ILE 52 Cb -0.14 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1ywl s ILE 52 CO -0.05 0.54 0.21 -0.04 0.24 0.00 0.00 174.94 175.84 1ywl s MET 53 N 0.02 3.68 0.00 0.37 -1.94 -1.26 -1.02 119.30 119.14 1ywl s MET 53 Ca -0.04 -0.51 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 1ywl s MET 53 Cb -0.14 -3.71 0.12 0.00 2.01 0.00 0.00 34.83 33.10 1ywl s MET 53 CO 0.04 -0.32 0.99 0.44 -0.01 0.00 0.00 175.02 176.15 1ywl n ILE 54 N 5.07 0.70 -3.90 2.53 -0.00 -1.22 -5.00 119.36 117.55 1ywl n ILE 54 Ca -0.13 -0.85 -0.10 0.00 -0.00 0.00 0.00 62.75 61.66 1ywl n ILE 54 Cb 0.51 0.68 -0.10 0.00 -0.00 0.00 0.00 39.64 40.73 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 -0.83 0.11 -0.30 4.28 3.76 -1.26 -4.85 115.29 116.19 1ywl s HIS 55 Ca 0.10 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1ywl s HIS 55 Cb 0.05 -0.09 0.19 0.00 1.11 0.00 0.00 32.58 33.85 1ywl s HIS 55 CO 0.07 -0.28 0.56 0.95 -0.85 0.00 0.00 174.74 175.19 1ywl s THR 56 N -1.58 -0.92 -0.03 1.30 -4.23 -1.26 -4.10 115.64 104.82 1ywl s THR 56 Ca -0.14 -0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1ywl s THR 56 Cb -0.07 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 1ywl s THR 56 CO 0.00 -0.06 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.26 1ywl s GLU 57 N 2.65 2.41 -0.19 3.99 2.02 -1.06 -5.01 118.70 123.51 1ywl s GLU 57 Ca 0.11 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 1ywl s GLU 57 Cb -0.10 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.86 1ywl s GLU 57 CO -0.24 0.61 0.08 -1.59 0.02 0.00 0.00 175.26 174.14 1ywl s LYS 58 N -0.90 0.18 0.06 1.61 -2.85 -1.26 -1.44 119.74 115.13 1ywl s LYS 58 Ca 0.12 -0.19 0.03 0.00 -1.00 0.00 0.00 55.97 54.93 1ywl s LYS 58 Cb -0.11 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.82 1ywl s LYS 58 CO 0.02 -0.70 -0.10 -0.59 0.10 0.00 0.00 175.35 174.07 1ywl s PHE 59 N 2.08 0.90 -0.64 1.78 -0.12 -0.63 -4.98 117.98 116.38 1ywl s PHE 59 Ca 0.02 -0.49 0.17 0.00 -0.05 0.00 0.00 56.93 56.58 1ywl s PHE 59 Cb -0.16 -0.52 -0.21 0.00 -0.63 0.00 0.00 43.02 41.50 1ywl s PHE 59 CO -0.12 -0.03 0.66 -0.85 -0.05 0.00 0.00 175.22 174.83 1ywl n GLU 60 N 1.35 1.13 -3.81 1.99 0.28 -1.26 0.13 120.64 120.45 1ywl n GLU 60 Ca -0.22 -0.04 -0.37 0.00 -0.16 0.00 0.00 57.16 56.38 1ywl n GLU 60 Cb 0.55 -1.34 -0.06 0.00 1.43 0.00 0.00 31.44 32.01 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 -2.76 5.45 -0.04 3.84 -4.23 -1.26 -4.79 115.64 111.84 1ywl s THR 61 Ca 0.04 0.27 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 1ywl s THR 61 Cb 0.13 -3.45 -0.23 0.00 1.34 0.00 0.00 72.50 70.29 1ywl s THR 61 CO 0.72 0.58 1.06 -0.09 -0.54 0.00 0.00 174.62 176.34 1ywl h ARG 62 N 5.31 0.20 -0.98 3.99 1.12 -1.99 -2.60 114.38 119.44 1ywl h ARG 62 Ca -0.52 -0.21 0.33 0.00 -1.11 0.00 0.00 59.98 58.47 1ywl h ARG 62 Cb 1.21 0.06 -0.17 0.00 -0.01 0.00 0.00 29.97 31.06 1ywl h ARG 62 CO 0.62 0.92 0.36 0.77 -3.11 0.00 0.00 179.97 179.53 1ywl h SER 63 N -0.43 0.10 0.15 -3.80 0.02 -1.99 0.25 113.55 107.85 1ywl h SER 63 Ca -0.03 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ywl h SER 63 Cb 1.01 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1ywl h SER 63 CO 0.05 -0.30 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.04 1ywl h GLU 64 N 0.11 -0.19 -0.84 3.45 4.39 -1.98 -2.22 114.58 117.30 1ywl h GLU 64 Ca 0.71 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.53 1ywl h GLU 64 Cb 1.67 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 30.23 1ywl h GLU 64 CO -0.75 0.24 -0.46 0.00 -1.16 0.00 0.00 179.01 176.88 1ywl h ALA 65 N -0.31 -0.20 -0.94 3.43 0.00 -0.34 0.97 119.26 121.86 1ywl h ALA 65 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1ywl h ALA 65 Cb 0.53 1.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 1ywl h ALA 65 CO 0.03 -0.79 0.61 0.00 0.00 0.00 0.00 179.25 179.11 1ywl h THR 66 N -0.09 1.14 -0.34 0.00 1.03 -0.75 -1.76 112.91 112.15 1ywl h THR 66 Ca 0.24 -0.40 0.03 0.00 -0.01 0.00 0.00 66.41 66.26 1ywl h THR 66 Cb 0.54 -0.13 -0.03 0.00 -1.07 0.00 0.00 68.15 67.45 1ywl h THR 66 CO -0.86 0.21 0.16 0.50 -0.01 0.00 0.00 175.52 175.53 1ywl h LYS 67 N 1.17 0.33 -0.91 0.00 3.64 0.13 0.19 116.57 121.13 1ywl h LYS 67 Ca 0.38 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.88 1ywl h LYS 67 Cb 0.03 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 1ywl h LYS 67 CO -0.13 0.22 0.58 0.00 -2.27 0.00 0.00 179.45 177.85 1ywl h ALA 68 N 1.18 1.79 0.11 5.00 0.00 0.11 -1.62 119.26 125.83 1ywl h ALA 68 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ywl h ALA 68 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ywl h ALA 68 CO -0.11 -0.03 -0.06 1.49 0.00 0.00 0.00 179.25 180.55 1ywl h GLU 69 N 0.73 -0.15 -0.41 0.00 4.22 -0.57 -2.12 114.58 116.29 1ywl h GLU 69 Ca 0.46 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.94 1ywl h GLU 69 Cb 0.69 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1ywl h GLU 69 CO -0.22 0.29 -0.25 0.00 -2.18 0.00 0.00 179.01 176.65 1ywl h ALA 70 N 0.12 -0.26 -0.37 2.92 0.00 0.24 0.66 119.26 122.57 1ywl h ALA 70 Ca -0.02 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ywl h ALA 70 Cb 0.50 1.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 1ywl h ALA 70 CO 0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 179.25 178.64 1ywl h ALA 71 N -0.39 0.07 -0.64 0.00 0.00 -1.50 -1.12 119.26 115.68 1ywl h ALA 71 Ca 0.07 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1ywl h ALA 71 Cb 0.18 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 1ywl h ALA 71 CO -0.39 -0.57 -0.26 0.74 0.00 0.00 0.00 179.25 178.77 1ywl h PHE 72 N -0.13 -0.67 -1.22 0.00 -1.00 0.08 1.40 116.94 115.40 1ywl h PHE 72 Ca 0.18 0.07 0.35 0.00 2.81 0.00 0.00 57.97 61.39 1ywl h PHE 72 Cb 0.42 0.39 -0.05 0.00 3.61 0.00 0.00 35.95 40.32 1ywl h PHE 72 CO -0.42 -0.35 0.90 0.87 -1.61 0.00 0.00 178.31 177.70 1ywl h LYS 73 N -0.09 0.00 0.07 1.51 1.79 0.15 0.27 116.57 120.28 1ywl h LYS 73 Ca 0.28 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.41 1ywl h LYS 73 Cb 0.53 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1ywl h LYS 73 CO -0.70 0.00 -1.89 1.63 -1.08 0.00 0.00 179.45 177.41 1ywl n LYS 74 N -4.13 0.69 -0.63 3.15 5.02 0.39 -4.94 118.16 117.71 1ywl n LYS 74 Ca 0.26 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.58 1ywl n LYS 74 Cb 1.30 -1.69 0.19 0.00 -0.02 0.00 0.00 35.03 34.81 1ywl n LYS 74 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ywl n LEU 75 N -3.75 1.09 0.00 -0.35 4.77 0.38 -5.04 117.00 114.09 1ywl n LEU 75 Ca -0.35 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 1ywl n LEU 75 Cb 0.94 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1ywl n LEU 75 CO 0.33 -2.76 -0.10 1.07 -1.33 0.00 0.00 177.39 174.61 1ywl n THR 76 N -4.40 0.00 0.32 -5.08 5.66 -1.26 -4.84 114.28 104.68 1ywl n THR 76 Ca 0.08 -1.59 0.11 0.00 -3.05 0.00 0.00 64.05 59.60 1ywl n THR 76 Cb 0.53 0.63 0.58 0.00 -1.55 0.00 0.00 70.33 70.53 1ywl n THR 76 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1ywl h ARG 77 N 0.00 0.00 0.00 1.09 2.43 -1.97 0.88 114.38 116.82 1ywl h ARG 77 Ca -0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1ywl h ARG 77 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ywl h ARG 77 CO 0.30 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.93 1ywl n LYS 78 N -2.71 0.00 -0.25 0.20 0.00 -1.26 -3.93 118.16 110.20 1ywl n LYS 78 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1ywl n LYS 78 Cb 0.52 -0.33 0.07 0.00 0.00 0.00 0.00 35.03 35.30 1ywl n LYS 78 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1ywl n GLN 79 N -2.04 -0.09 0.16 1.64 7.27 -1.10 0.11 117.38 123.33 1ywl n GLN 79 Ca 0.00 1.07 -0.15 0.00 0.07 0.00 0.00 57.00 57.98 1ywl n GLN 79 Cb 0.00 -1.59 -0.09 0.00 2.41 0.00 0.00 30.24 30.97 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 -0.74 -0.80 3.69 1.57 -1.07 1.55 116.57 120.77 1ywl h LYS 80 Ca 0.30 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.27 1ywl h LYS 80 Cb 0.47 0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.81 1ywl h LYS 80 CO -0.70 -0.49 -0.27 -1.91 -0.57 0.00 0.00 179.45 175.51 1ywl n GLU 81 N -5.18 -0.14 0.13 3.15 2.13 0.30 0.60 120.64 121.64 1ywl n GLU 81 Ca -0.09 1.24 -0.06 0.00 0.66 0.00 0.00 57.16 58.91 1ywl n GLU 81 Cb 0.39 -1.85 -0.03 0.00 0.27 0.00 0.00 31.44 30.22 1ywl n GLU 81 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1ywl h GLN 82 N 0.00 -0.39 -0.78 5.31 4.15 -0.73 0.49 115.11 123.16 1ywl h GLN 82 Ca 0.32 0.03 0.26 0.00 0.77 0.00 0.00 58.65 60.03 1ywl h GLN 82 Cb 0.52 0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.16 1ywl h GLN 82 CO -0.81 -0.26 0.17 0.98 -1.93 0.00 0.00 178.83 176.98 1ywl n TYR 83 N -4.59 0.65 -0.07 3.99 9.36 0.52 0.21 117.16 127.24 1ywl n TYR 83 Ca -0.05 0.94 -0.07 0.00 3.32 0.00 0.00 57.90 62.04 1ywl n TYR 83 Cb 0.16 -1.18 -0.05 0.00 -0.63 0.00 0.00 39.34 37.64 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 0.00 -0.84 2.98 4.07 0.10 -3.35 115.31 118.26 1ywl h LEU 84 Ca 0.55 -0.33 0.17 0.00 0.08 0.00 0.00 57.88 58.35 1ywl h LEU 84 Cb 1.27 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.85 1ywl h LEU 84 CO -0.69 0.79 -0.18 0.50 -1.08 0.00 0.00 178.44 177.78 1ywl h LYS 85 N -1.00 0.01 -1.11 1.13 3.64 0.29 1.64 116.57 121.16 1ywl h LYS 85 Ca -0.04 -0.00 0.38 0.00 -1.27 0.00 0.00 60.65 59.72 1ywl h LYS 85 Cb 0.50 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.18 1ywl h LYS 85 CO -0.02 0.01 0.67 1.79 -2.27 0.00 0.00 179.45 179.62 1ywl h THR 86 N 0.01 0.20 0.04 1.00 1.35 0.23 0.46 112.91 116.20 1ywl h THR 86 Ca 0.42 -0.06 -0.36 0.00 -0.55 0.00 0.00 66.41 65.85 1ywl h THR 86 Cb 0.66 -0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.03 1ywl h THR 86 CO -0.85 0.03 -2.06 0.33 -0.25 0.00 0.00 175.52 172.72 1ywl n PHE 87 N -4.94 0.61 -0.31 4.73 7.35 0.40 -3.84 117.46 121.47 1ywl n PHE 87 Ca 0.34 0.19 0.14 0.00 -0.76 0.00 0.00 57.45 57.36 1ywl n PHE 87 Cb 1.19 -1.07 0.32 0.00 0.35 0.00 0.00 39.48 40.27 1ywl n PHE 87 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1ywl h HIS 88 N -0.46 0.63 0.84 -5.13 2.76 0.32 -0.79 115.15 113.31 1ywl h HIS 88 Ca -0.51 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.66 1ywl h HIS 88 Cb 1.73 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 30.56 1ywl h HIS 88 CO 0.03 -0.09 -0.40 -0.07 -1.30 0.00 0.00 177.93 176.10 1ywl h LEU 89 N 0.36 -0.96 0.00 0.26 4.07 -0.33 -3.44 115.31 115.27 1ywl h LEU 89 Ca 0.58 0.03 -0.35 0.00 0.08 0.00 0.00 57.88 58.22 1ywl h LEU 89 Cb 1.13 0.25 0.16 0.00 1.08 0.00 0.00 40.66 43.28 1ywl h LEU 89 CO -0.56 -0.64 0.19 -1.84 -1.08 0.00 0.00 178.44 174.51 1ywl n GLU 90 N -5.29 -2.27 -3.68 1.13 -0.00 -0.30 -5.09 120.64 105.14 1ywl n GLU 90 Ca -0.14 -1.60 -0.12 0.00 -0.00 0.00 0.00 57.16 55.30 1ywl n GLU 90 Cb 0.45 -1.34 -0.09 0.00 -0.00 0.00 0.00 31.44 30.46 1ywl n GLU 90 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ywl s HIS 91 N -2.98 -0.70 0.42 -1.84 3.76 -1.26 -4.85 115.29 107.83 1ywl s HIS 91 Ca 0.63 1.59 0.07 0.00 -0.15 0.00 0.00 55.06 57.20 1ywl s HIS 91 Cb -0.05 0.30 -0.06 0.00 1.11 0.00 0.00 32.58 33.88 1ywl s HIS 91 CO 0.47 -0.35 0.11 -1.01 -0.85 0.00 0.00 174.74 173.10 1ywl s HIS 92 N 0.74 2.53 0.23 1.40 3.76 -1.26 -5.11 115.29 117.58 1ywl s HIS 92 Ca -0.04 -0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 53.94 1ywl s HIS 92 Cb -0.05 -1.87 -0.09 0.00 1.11 0.00 0.00 32.58 31.68 1ywl s HIS 92 CO -0.05 0.29 1.00 -1.58 -0.85 0.00 0.00 174.74 173.54 1ywl s HIS 93 N -2.66 3.83 0.26 1.40 2.46 -1.26 -5.04 115.29 114.28 1ywl s HIS 93 Ca 0.37 1.82 -0.04 0.00 0.47 0.00 0.00 55.06 57.68 1ywl s HIS 93 Cb 0.06 -3.09 -0.02 0.00 -0.13 0.00 0.00 32.58 29.40 1ywl s HIS 93 CO 0.20 0.07 0.33 -3.38 -2.47 0.00 0.00 174.74 169.49 1ywl s HIS 94 N -0.93 0.97 -0.30 3.88 -3.43 -1.26 -5.14 115.29 109.08 1ywl s HIS 94 Ca 0.43 -1.20 -0.09 0.00 -0.80 0.00 0.00 55.06 53.40 1ywl s HIS 94 Cb -0.27 -0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 30.62 1ywl s HIS 94 CO 0.34 -0.88 0.14 -1.58 -2.00 0.00 0.00 174.74 170.76 1ywl s HIS 95 N -3.79 3.17 -0.91 0.38 2.46 -1.26 -5.31 115.29 110.03 1ywl s HIS 95 Ca 0.32 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.33 1ywl s HIS 95 Cb 0.03 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 1ywl s HIS 95 CO 0.15 -0.43 0.23 0.72 -2.47 0.00 0.00 174.74 172.94