#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywl s GLU 2 N 0.00 1.55 0.18 0.03 2.02 -1.26 -5.00 118.70 116.21 1ywl s GLU 2 Ca 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1ywl s GLU 2 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1ywl s GLU 2 CO 0.00 -0.46 0.00 0.09 0.02 0.00 0.00 175.26 174.91 1ywl n ASN 3 N -0.89 -3.95 -1.10 -0.19 4.13 -1.26 -4.86 115.26 107.13 1ywl n ASN 3 Ca 0.02 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1ywl n ASN 3 Cb 0.65 -2.05 0.00 0.00 -1.54 0.00 0.00 39.78 36.84 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 -2.79 -3.12 -1.47 3.52 3.00 -1.26 -4.67 118.16 111.37 1ywl n LYS 4 Ca -0.00 2.34 -0.62 0.00 -0.00 0.00 0.00 58.31 60.03 1ywl n LYS 4 Cb 0.30 -2.69 -0.10 0.00 0.00 0.00 0.00 35.03 32.54 1ywl n LYS 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ywl n LYS 5 N -1.19 0.00 0.00 1.64 0.00 -1.26 -4.79 118.16 112.56 1ywl n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ywl n LYS 5 Cb 0.07 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 1ywl n LYS 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ywl n SER 6 N 5.37 0.00 -4.52 -5.58 7.64 -1.26 -4.96 113.62 110.31 1ywl n SER 6 Ca 0.40 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 1ywl n SER 6 Cb -0.05 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 2.43 -0.39 1.43 3.76 0.24 -3.94 115.29 118.82 1ywl s HIS 7 Ca 0.00 -0.29 -0.19 0.00 -0.15 0.00 0.00 55.06 54.43 1ywl s HIS 7 Cb 0.00 -4.54 0.01 0.00 1.11 0.00 0.00 32.58 29.16 1ywl s HIS 7 CO 0.00 -1.94 0.56 0.71 -0.85 0.00 0.00 174.74 173.22 1ywl s TYR 8 N 5.16 3.14 -0.29 1.40 2.02 -1.01 -0.43 117.35 127.32 1ywl s TYR 8 Ca 0.33 0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.84 1ywl s TYR 8 Cb -0.09 -3.08 -0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1ywl s TYR 8 CO 0.11 -0.68 0.75 0.12 -1.57 0.00 0.00 175.55 174.28 1ywl s PHE 9 N 2.53 3.22 -0.02 2.71 2.19 -0.26 -2.38 117.98 125.97 1ywl s PHE 9 Ca 0.20 0.81 0.05 0.00 0.33 0.00 0.00 56.93 58.31 1ywl s PHE 9 Cb -0.15 -3.12 -0.01 0.00 -1.31 0.00 0.00 43.02 38.42 1ywl s PHE 9 CO 0.15 -0.51 -0.17 1.52 1.83 0.00 0.00 175.22 178.05 1ywl s TYR 10 N 2.84 1.54 -0.08 10.12 1.13 -0.74 -1.54 117.35 130.62 1ywl s TYR 10 Ca 0.31 -0.32 -0.00 0.00 -1.41 0.00 0.00 57.07 55.64 1ywl s TYR 10 Cb -0.14 -1.00 -0.03 0.00 -1.10 0.00 0.00 41.96 39.68 1ywl s TYR 10 CO 0.11 -0.05 -0.06 0.08 -2.51 0.00 0.00 175.55 173.12 1ywl s VAL 11 N -0.30 3.81 -0.15 -3.49 1.01 -1.25 -2.22 120.40 117.80 1ywl s VAL 11 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ywl s VAL 11 Cb -0.08 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1ywl s VAL 11 CO -0.00 0.59 -0.12 -0.76 0.00 0.00 0.00 175.10 174.80 1ywl s LEU 12 N -0.65 2.69 -0.22 3.92 1.43 -0.50 -3.69 118.68 121.66 1ywl s LEU 12 Ca 0.10 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1ywl s LEU 12 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1ywl s LEU 12 CO 0.02 0.11 -0.02 -0.22 0.23 0.00 0.00 176.35 176.47 1ywl s LEU 13 N 0.67 3.01 0.00 1.79 2.96 -0.80 -1.36 118.68 124.96 1ywl s LEU 13 Ca -0.06 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1ywl s LEU 13 Cb -0.15 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1ywl s LEU 13 CO 0.02 -0.01 0.00 0.00 -1.32 0.00 0.00 176.35 175.04 1ywl n GLN 15 N 0.00 0.61 -1.29 0.00 1.13 -1.26 -4.08 117.38 112.50 1ywl n GLN 15 Ca 0.00 -0.05 -0.30 0.00 -1.94 0.00 0.00 57.00 54.71 1ywl n GLN 15 Cb 0.00 -1.65 0.12 0.00 0.11 0.00 0.00 30.24 28.82 1ywl n GLN 15 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ywl n ASP 16 N -2.41 5.96 -3.99 1.08 2.03 -1.26 -4.89 116.55 113.07 1ywl n ASP 16 Ca -0.02 -3.71 -0.33 0.00 0.52 0.00 0.00 54.79 51.25 1ywl n ASP 16 Cb 0.55 -0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 40.02 1ywl n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ywl n GLY 17 N -1.02 -0.52 3.20 0.27 0.00 -1.26 -4.91 105.19 100.95 1ywl n GLY 17 Ca 0.62 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.97 5.63 -0.31 1.61 0.01 -1.26 -4.94 113.70 110.46 1ywl s SER 18 Ca 0.23 -1.88 -0.22 0.00 1.31 0.00 0.00 55.95 55.39 1ywl s SER 18 Cb -0.10 -1.98 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 1ywl s SER 18 CO 0.92 -0.66 0.69 -0.36 0.41 0.00 0.00 173.24 174.25 1ywl s PHE 19 N 1.34 3.20 -0.55 2.43 0.40 -1.25 -3.10 117.98 120.46 1ywl s PHE 19 Ca 0.06 0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1ywl s PHE 19 Cb -0.25 -3.09 0.14 0.00 0.51 0.00 0.00 43.02 40.33 1ywl s PHE 19 CO -0.01 -0.52 0.33 -0.47 0.70 0.00 0.00 175.22 175.25 1ywl s TYR 20 N 2.76 3.39 -0.19 0.36 5.04 -0.46 -4.88 117.35 123.36 1ywl s TYR 20 Ca 0.28 -2.84 -0.08 0.00 -2.44 0.00 0.00 57.07 52.00 1ywl s TYR 20 Cb -0.15 -3.07 -0.04 0.00 0.35 0.00 0.00 41.96 39.05 1ywl s TYR 20 CO 0.12 -0.84 0.07 0.20 -1.34 0.00 0.00 175.55 173.76 1ywl s GLY 21 N 0.56 1.90 -0.18 8.97 0.00 -1.26 -1.40 107.32 115.90 1ywl s GLY 21 Ca 0.15 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.80 1ywl s GLY 21 CO -0.03 0.13 0.70 -0.32 0.00 0.00 0.00 173.10 173.58 1ywl s GLY 22 N 0.54 -0.56 -0.18 0.20 0.00 -0.94 -4.97 107.32 101.41 1ywl s GLY 22 Ca 0.03 1.74 -0.05 0.00 0.00 0.00 0.00 44.72 46.44 1ywl s GLY 22 CO 0.01 1.42 -0.01 -2.52 0.00 0.00 0.00 173.10 172.00 1ywl s TYR 23 N -0.28 3.05 0.14 1.90 -0.85 -1.26 -1.78 117.35 118.27 1ywl s TYR 23 Ca -0.05 -0.37 -0.25 0.00 -0.52 0.00 0.00 57.07 55.89 1ywl s TYR 23 Cb -0.03 -2.04 0.07 0.00 0.38 0.00 0.00 41.96 40.34 1ywl s TYR 23 CO 0.05 -0.14 0.98 -0.08 -1.52 0.00 0.00 175.55 174.84 1ywl s THR 24 N 0.73 0.00 -0.05 -3.49 -1.32 -1.00 -4.77 115.64 105.74 1ywl s THR 24 Ca -0.00 -0.64 -0.07 0.00 -1.21 0.00 0.00 61.69 59.76 1ywl s THR 24 Cb -0.14 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 1ywl s THR 24 CO 0.02 0.00 0.22 0.42 -2.21 0.00 0.00 174.62 173.07 1ywl s THR 25 N -3.23 5.38 -0.70 5.08 -4.23 -1.25 -2.42 115.64 114.27 1ywl s THR 25 Ca 0.12 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1ywl s THR 25 Cb -0.01 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.33 1ywl s THR 25 CO 0.02 0.51 0.66 -0.62 -0.54 0.00 0.00 174.62 174.64 1ywl n GLU 26 N 1.58 -1.57 0.06 3.99 1.02 -1.26 -4.87 120.64 119.60 1ywl n GLU 26 Ca -0.16 1.36 -0.11 0.00 -0.02 0.00 0.00 57.16 58.23 1ywl n GLU 26 Cb 0.54 -4.46 -0.01 0.00 -0.02 0.00 0.00 31.44 27.49 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 0.57 0.38 -0.85 3.49 0.13 -1.96 -3.08 132.00 130.67 1ywl h PRO 27 Ca -0.23 -0.37 0.18 0.00 -0.87 0.00 0.00 66.00 64.71 1ywl h PRO 27 Cb 1.15 0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1ywl h PRO 27 CO 0.30 1.03 -0.18 0.93 -0.23 0.00 0.00 178.00 179.86 1ywl h GLU 28 N 0.23 0.01 0.19 0.86 4.39 -1.98 1.52 114.58 119.79 1ywl h GLU 28 Ca -0.06 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1ywl h GLU 28 Cb 1.46 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1ywl h GLU 28 CO 0.14 0.01 -0.09 0.00 -1.16 0.00 0.00 179.01 177.91 1ywl h ARG 29 N 0.01 -0.24 -0.97 2.33 3.08 -1.94 -2.45 114.38 114.20 1ywl h ARG 29 Ca 0.42 0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.71 1ywl h ARG 29 Cb 0.67 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.66 1ywl h ARG 29 CO -0.86 0.17 0.55 -0.09 -1.07 0.00 0.00 179.97 178.67 1ywl h ARG 30 N -0.79 0.58 0.78 0.04 2.43 -1.06 -0.72 114.38 115.65 1ywl h ARG 30 Ca -0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1ywl h ARG 30 Cb 0.52 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1ywl h ARG 30 CO 0.04 0.39 -0.38 1.25 -1.51 0.00 0.00 179.97 179.76 1ywl h LEU 31 N 0.60 -0.89 -0.77 3.80 5.85 0.21 -3.00 115.31 121.11 1ywl h LEU 31 Ca 0.60 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.44 1ywl h LEU 31 Cb 1.07 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 1ywl h LEU 31 CO -0.45 -0.60 -0.48 0.74 -0.34 0.00 0.00 178.44 177.32 1ywl h THR 32 N -1.12 0.04 -0.94 1.05 2.02 -0.67 0.65 112.91 113.95 1ywl h THR 32 Ca -0.11 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.19 1ywl h THR 32 Cb 0.82 0.04 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 1ywl h THR 32 CO 0.18 0.00 -0.45 1.21 0.37 0.00 0.00 175.52 176.83 1ywl n GLU 33 N -5.38 -0.30 -0.05 6.66 0.00 -0.57 0.77 120.64 121.77 1ywl n GLU 33 Ca 0.03 1.43 -0.06 0.00 0.00 0.00 0.00 57.16 58.57 1ywl n GLU 33 Cb 0.34 -2.11 -0.04 0.00 0.00 0.00 0.00 31.44 29.62 1ywl n GLU 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ywl h HIS 34 N 0.00 -0.70 -0.13 4.31 2.76 -0.74 1.03 115.15 121.68 1ywl h HIS 34 Ca 0.25 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.49 1ywl h HIS 34 Cb 0.48 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1ywl h HIS 34 CO -0.88 -0.21 0.35 -0.91 -1.30 0.00 0.00 177.93 174.98 1ywl h ASN 35 N -0.17 0.00 -0.83 3.26 2.35 -0.61 1.25 115.58 120.83 1ywl h ASN 35 Ca 0.03 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 1ywl h ASN 35 Cb 0.25 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.43 1ywl h ASN 35 CO -0.24 0.00 0.39 -1.20 -1.65 0.00 0.00 177.43 174.74 1ywl n SER 36 N -3.18 4.53 0.00 5.81 7.64 0.33 -4.98 113.62 123.76 1ywl n SER 36 Ca 0.01 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.54 1ywl n SER 36 Cb 0.44 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1ywl n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ywl n GLY 37 N -0.46 3.27 2.11 0.23 0.00 0.43 -4.91 105.19 105.86 1ywl n GLY 37 Ca 0.47 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.70 0.00 0.00 2.61 -1.04 -1.25 -3.17 114.28 110.74 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 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1ywl n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ywl n GLY 39 N 0.14 2.46 2.02 3.41 0.00 -1.26 -5.11 105.19 106.85 1ywl n GLY 39 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1ywl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywl n ALA 40 N 0.00 -2.61 -1.25 4.61 0.00 -1.26 -4.89 120.51 115.10 1ywl n ALA 40 Ca 0.00 0.69 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 1ywl n ALA 40 Cb 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 19.45 17.87 1ywl n ALA 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ywl n LYS 41 N 1.26 0.18 -3.61 0.00 0.00 -1.26 -5.00 118.16 109.73 1ywl n LYS 41 Ca -0.08 0.08 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1ywl n LYS 41 Cb 0.12 -1.39 -0.03 0.00 -0.00 0.00 0.00 35.03 33.72 1ywl n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ywl s TYR 42 N -1.92 -0.30 -0.32 5.58 6.14 -1.26 -5.05 117.35 120.21 1ywl s TYR 42 Ca 0.59 0.00 -0.08 0.00 0.64 0.00 0.00 57.07 58.23 1ywl s TYR 42 Cb -0.40 0.47 0.01 0.00 0.42 0.00 0.00 41.96 42.46 1ywl s TYR 42 CO 0.64 -0.89 0.24 2.41 0.64 0.00 0.00 175.55 178.59 1ywl n THR 43 N -0.35-10.09 -0.03 4.34 -1.04 -1.26 -4.88 114.28 100.97 1ywl n THR 43 Ca -0.13 1.28 -0.20 0.00 -2.04 0.00 0.00 64.05 62.95 1ywl n THR 43 Cb 0.63 -6.39 -0.13 0.00 -1.82 0.00 0.00 70.33 62.62 1ywl n THR 43 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1ywl n ARG 44 N 0.38 0.73 -0.02 -2.82 0.63 -1.26 -3.22 116.66 111.08 1ywl n ARG 44 Ca 0.03 0.23 -0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1ywl n ARG 44 Cb 0.25 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.47 1ywl n ARG 44 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ywl h LEU 45 N 0.05 -0.64 -6.48 6.15 -0.00 -2.02 -3.26 115.31 109.11 1ywl h LEU 45 Ca -0.46 0.08 -0.60 0.00 -0.00 0.00 0.00 57.88 56.89 1ywl h LEU 45 Cb 2.00 0.26 -0.42 0.00 -0.00 0.00 0.00 40.66 42.50 1ywl h LEU 45 CO 0.04 -0.16 -0.62 0.00 -0.00 0.00 0.00 178.44 177.69 1ywl n ALA 46 N -2.77 3.73 -0.26 0.17 0.00 -1.26 -4.96 120.51 115.16 1ywl n ALA 46 Ca -0.02 -4.57 -0.08 0.00 0.00 0.00 0.00 53.44 48.77 1ywl n ALA 46 Cb 0.13 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 4.61 -0.03 -6.39 0.00 1.57 -1.59 -3.36 116.57 111.37 1ywl h LYS 47 Ca 0.18 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.42 1ywl h LYS 47 Cb 0.71 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1ywl h LYS 47 CO 0.76 -0.02 0.88 1.03 -0.57 0.00 0.00 179.45 181.53 1ywl s ARG 48 N -4.72 4.26 -0.16 3.15 0.52 -1.26 -4.99 118.95 115.75 1ywl s ARG 48 Ca -0.08 2.06 0.01 0.00 -0.52 0.00 0.00 55.73 57.19 1ywl s ARG 48 Cb 0.07 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.98 1ywl s ARG 48 CO 0.42 -0.62 -0.16 -0.98 0.02 0.00 0.00 175.30 173.98 1ywl s ARG 49 N 2.48 2.56 -0.86 3.54 1.70 -1.26 -5.06 118.95 122.05 1ywl s ARG 49 Ca 0.66 -0.66 -0.25 0.00 -0.47 0.00 0.00 55.73 55.01 1ywl s ARG 49 Cb -0.34 -2.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.78 1ywl s ARG 49 CO 0.28 -0.22 1.65 -1.25 -1.08 0.00 0.00 175.30 174.68 1ywl s PRO 50 N 1.38 3.03 -0.35 3.89 0.04 -1.26 -4.95 135.00 136.78 1ywl s PRO 50 Ca 0.04 -0.41 -0.29 0.00 0.04 0.00 0.00 61.00 60.38 1ywl s PRO 50 Cb -0.13 -4.89 0.02 0.00 0.04 0.00 0.00 34.50 29.54 1ywl s PRO 50 CO -0.11 -2.66 1.13 0.14 0.04 0.00 0.00 177.00 175.54 1ywl s VAL 51 N 7.42 4.39 0.04 -0.36 -7.23 -1.26 -4.20 120.40 119.20 1ywl s VAL 51 Ca 0.55 1.56 0.04 0.00 -1.81 0.00 0.00 61.98 62.32 1ywl s VAL 51 Cb -0.06 -4.41 -0.04 0.00 0.56 0.00 0.00 36.38 32.44 1ywl s VAL 51 CO 0.03 -0.59 -0.03 0.27 -0.31 0.00 0.00 175.10 174.47 1ywl s ILE 52 N 3.94 3.87 -0.37 -0.62 -4.36 -1.00 -4.86 121.20 117.81 1ywl s ILE 52 Ca 0.48 -0.86 -0.19 0.00 -0.26 0.00 0.00 60.65 59.82 1ywl s ILE 52 Cb -0.12 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1ywl s ILE 52 CO 0.20 0.26 0.55 -0.32 0.24 0.00 0.00 174.94 175.87 1ywl s MET 53 N -1.86 3.56 0.00 0.37 1.75 -1.26 -1.90 119.30 119.96 1ywl s MET 53 Ca 0.21 -0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1ywl s MET 53 Cb -0.11 -3.84 0.00 0.00 2.84 0.00 0.00 34.83 33.72 1ywl s MET 53 CO 0.13 -0.72 0.75 0.44 -0.65 0.00 0.00 175.02 174.97 1ywl n ILE 54 N 5.51 0.52 -4.00 10.11 -6.64 -1.24 -5.03 119.36 118.59 1ywl n ILE 54 Ca -0.04 -0.74 -0.08 0.00 -1.77 0.00 0.00 62.75 60.12 1ywl n ILE 54 Cb 0.49 0.76 -0.10 0.00 -1.44 0.00 0.00 39.64 39.34 1ywl n ILE 54 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 1ywl s HIS 55 N -0.52 0.34 -0.28 4.28 3.76 -1.26 -5.01 115.29 116.60 1ywl s HIS 55 Ca 0.00 -0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 54.16 1ywl s HIS 55 Cb 0.00 -0.25 0.17 0.00 1.11 0.00 0.00 32.58 33.61 1ywl s HIS 55 CO 0.00 -0.32 0.55 0.95 -0.85 0.00 0.00 174.74 175.07 1ywl s THR 56 N -2.79 -0.90 0.05 1.30 -4.23 -1.26 -4.33 115.64 103.48 1ywl s THR 56 Ca -0.04 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1ywl s THR 56 Cb -0.00 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1ywl s THR 56 CO -0.06 -0.03 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.21 1ywl s GLU 57 N 2.79 0.56 -0.04 3.99 2.12 -0.59 -4.98 118.70 122.55 1ywl s GLU 57 Ca 0.17 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 1ywl s GLU 57 Cb -0.15 -0.35 0.03 0.00 0.26 0.00 0.00 34.13 33.92 1ywl s GLU 57 CO -0.20 0.07 0.04 0.21 -0.54 0.00 0.00 175.26 174.84 1ywl s LYS 58 N -1.62 0.06 -0.07 4.30 2.20 -1.26 -1.10 119.74 122.25 1ywl s LYS 58 Ca -0.09 0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.80 1ywl s LYS 58 Cb -0.10 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.75 1ywl s LYS 58 CO 0.01 -0.25 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.51 1ywl s PHE 59 N 1.65 1.86 -0.07 4.03 0.08 0.42 -4.98 117.98 120.97 1ywl s PHE 59 Ca -0.01 -0.67 0.08 0.00 0.12 0.00 0.00 56.93 56.44 1ywl s PHE 59 Cb -0.13 -1.29 -0.12 0.00 -0.57 0.00 0.00 43.02 40.92 1ywl s PHE 59 CO -0.03 -0.29 0.07 -0.85 -0.10 0.00 0.00 175.22 174.02 1ywl n GLU 60 N 3.54 2.05 -3.51 0.44 0.28 -1.26 0.83 120.64 123.00 1ywl n GLU 60 Ca -0.20 -0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.42 1ywl n GLU 60 Cb 0.52 -1.23 -0.06 0.00 1.43 0.00 0.00 31.44 32.11 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 -2.31 5.02 0.18 3.84 -4.23 -1.26 -4.92 115.64 111.96 1ywl s THR 61 Ca -0.04 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1ywl s THR 61 Cb 0.03 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 1ywl s THR 61 CO 0.37 0.31 1.47 -0.09 -0.54 0.00 0.00 174.62 176.14 1ywl h ARG 62 N 3.78 0.51 -0.42 3.99 9.65 -1.99 -1.97 114.38 127.94 1ywl h ARG 62 Ca -0.49 -0.36 0.07 0.00 -1.10 0.00 0.00 59.98 58.10 1ywl h ARG 62 Cb 1.20 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.77 1ywl h ARG 62 CO 0.66 0.98 0.07 0.77 2.80 0.00 0.00 179.97 185.24 1ywl h SER 63 N 0.38 -0.03 -0.23 -3.80 0.02 -2.00 -0.60 113.55 107.28 1ywl h SER 63 Ca -0.01 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1ywl h SER 63 Cb 1.19 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1ywl h SER 63 CO 0.12 0.02 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.32 1ywl h GLU 64 N 0.19 0.53 -0.28 3.45 4.39 -1.97 -2.14 114.58 118.74 1ywl h GLU 64 Ca 0.21 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1ywl h GLU 64 Cb 0.26 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1ywl h GLU 64 CO -0.29 0.83 -0.45 0.00 -1.16 0.00 0.00 179.01 177.95 1ywl h ALA 65 N 0.69 -0.71 -0.29 3.43 0.00 -0.69 0.92 119.26 122.60 1ywl h ALA 65 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ywl h ALA 65 Cb 0.71 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ywl h ALA 65 CO 0.05 -0.92 0.20 0.00 0.00 0.00 0.00 179.25 178.58 1ywl h THR 66 N -0.35 0.91 -0.39 0.00 1.03 -1.17 -0.49 112.91 112.44 1ywl h THR 66 Ca 0.05 -0.03 -0.06 0.00 -0.01 0.00 0.00 66.41 66.36 1ywl h THR 66 Cb 0.49 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.36 1ywl h THR 66 CO -0.45 0.02 0.00 0.50 -0.01 0.00 0.00 175.52 175.58 1ywl h LYS 67 N 0.10 0.68 -0.90 0.00 3.64 0.51 -1.26 116.57 119.35 1ywl h LYS 67 Ca 0.13 -0.22 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1ywl h LYS 67 Cb 0.40 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1ywl h LYS 67 CO -0.01 0.78 0.58 0.00 -2.27 0.00 0.00 179.45 178.52 1ywl h ALA 68 N 0.88 1.56 0.70 5.00 0.00 0.23 -0.28 119.26 127.35 1ywl h ALA 68 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ywl h ALA 68 Cb 0.47 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ywl h ALA 68 CO 0.02 0.29 -0.34 1.49 0.00 0.00 0.00 179.25 180.71 1ywl h GLU 69 N 0.97 -0.90 -0.92 0.00 4.22 -1.04 0.25 114.58 117.16 1ywl h GLU 69 Ca 0.40 0.06 0.26 0.00 0.08 0.00 0.00 59.36 60.16 1ywl h GLU 69 Cb 0.27 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 29.58 1ywl h GLU 69 CO -0.16 -0.60 0.34 0.00 -2.18 0.00 0.00 179.01 176.41 1ywl h ALA 70 N -1.28 1.49 -0.14 2.92 0.00 -0.93 0.56 119.26 121.88 1ywl h ALA 70 Ca -0.10 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ywl h ALA 70 Cb 0.72 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ywl h ALA 70 CO 0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.90 1ywl h ALA 71 N 1.80 0.19 -0.16 0.00 0.00 -0.95 -2.30 119.26 117.84 1ywl h ALA 71 Ca 0.61 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1ywl h ALA 71 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ywl h ALA 71 CO -0.64 -0.09 0.55 0.35 0.00 0.00 0.00 179.25 179.42 1ywl h PHE 72 N -0.02 0.00 0.00 0.00 3.57 0.36 1.55 116.94 122.40 1ywl h PHE 72 Ca 0.04 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.26 1ywl h PHE 72 Cb 0.40 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1ywl h PHE 72 CO 0.04 0.00 -1.72 1.17 -2.23 0.00 0.00 178.31 175.57 1ywl n LYS 73 N -3.01 0.63 -0.76 1.11 4.81 -0.58 -3.80 118.16 116.58 1ywl n LYS 73 Ca 0.02 0.27 -0.03 0.00 -0.87 0.00 0.00 58.31 57.70 1ywl n LYS 73 Cb 0.64 -1.78 0.24 0.00 0.02 0.00 0.00 35.03 34.15 1ywl n LYS 73 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ywl n LYS 74 N -3.00 3.21 -4.21 1.64 2.85 0.51 -4.89 118.16 114.27 1ywl n LYS 74 Ca -0.17 -2.31 -0.12 0.00 -1.05 0.00 0.00 58.31 54.66 1ywl n LYS 74 Cb 1.03 -2.00 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1ywl n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ywl s LEU 75 N -2.19 1.38 0.35 -5.58 1.43 -0.07 -4.99 118.68 109.01 1ywl s LEU 75 Ca 0.41 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1ywl s LEU 75 Cb 0.33 0.28 -0.01 0.00 0.03 0.00 0.00 46.19 46.82 1ywl s LEU 75 CO 0.11 -0.79 0.43 0.28 0.23 0.00 0.00 176.35 176.60 1ywl s THR 76 N -4.05 0.00 0.55 5.49 -1.32 -1.26 -4.83 115.64 110.22 1ywl s THR 76 Ca 0.36 -1.73 0.37 0.00 -1.21 0.00 0.00 61.69 59.48 1ywl s THR 76 Cb 0.07 -2.63 0.54 0.00 -1.51 0.00 0.00 72.50 68.97 1ywl s THR 76 CO 0.10 0.00 1.36 -1.14 -2.21 0.00 0.00 174.62 172.73 1ywl n ARG 77 N -0.61 0.01 0.00 7.08 0.63 -1.26 0.83 116.66 123.33 1ywl n ARG 77 Ca 0.03 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 1ywl n ARG 77 Cb 0.62 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1ywl n ARG 77 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ywl n LYS 78 N -3.48 0.00 -0.28 -0.14 0.00 -1.26 -3.61 118.16 109.38 1ywl n LYS 78 Ca 0.32 0.05 0.25 0.00 0.00 0.00 0.00 58.31 58.93 1ywl n LYS 78 Cb 1.70 -0.35 0.44 0.00 0.00 0.00 0.00 35.03 36.81 1ywl n LYS 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1ywl n GLN 79 N -1.91 -0.03 0.19 1.64 3.00 -0.84 0.11 117.38 119.53 1ywl n GLN 79 Ca 0.00 0.89 -0.08 0.00 -0.01 0.00 0.00 57.00 57.80 1ywl n GLN 79 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 30.24 28.51 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 -0.48 -1.31 -1.09 1.57 0.21 0.52 116.57 115.99 1ywl h LYS 80 Ca 0.59 0.03 0.44 0.00 -1.87 0.00 0.00 60.65 59.84 1ywl h LYS 80 Cb 1.78 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 34.09 1ywl h LYS 80 CO -0.40 -0.32 0.87 -1.91 -0.57 0.00 0.00 179.45 177.12 1ywl n GLU 81 N -3.87 -0.03 -0.08 3.15 4.07 0.30 0.12 120.64 124.30 1ywl n GLU 81 Ca -0.06 1.07 -0.15 0.00 -0.06 0.00 0.00 57.16 57.95 1ywl n GLU 81 Cb 0.20 -2.17 -0.12 0.00 -0.06 0.00 0.00 31.44 29.29 1ywl n GLU 81 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1ywl h GLN 82 N 0.00 0.00 -1.44 5.31 5.75 -1.16 -2.50 115.11 121.07 1ywl h GLN 82 Ca 0.78 0.00 0.49 0.00 -0.15 0.00 0.00 58.65 59.77 1ywl h GLN 82 Cb 2.65 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 31.06 1ywl h GLN 82 CO -0.33 0.93 0.94 -0.92 -2.65 0.00 0.00 178.83 176.79 1ywl h TYR 83 N -1.00 0.46 0.13 3.99 3.20 0.62 1.60 116.97 125.98 1ywl h TYR 83 Ca -0.10 0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.45 1ywl h TYR 83 Cb 1.02 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1ywl h TYR 83 CO 0.20 -0.27 -1.83 -0.07 -1.64 0.00 0.00 178.16 174.55 1ywl h LEU 84 N 0.00 0.44 0.37 2.82 4.07 -1.37 -3.33 115.31 118.31 1ywl h LEU 84 Ca 0.89 -0.80 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ywl h LEU 84 Cb 2.94 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 44.51 1ywl h LEU 84 CO -0.43 1.70 -0.42 0.50 -1.08 0.00 0.00 178.44 178.71 1ywl h LYS 85 N 0.08 -0.79 -1.24 1.13 3.64 0.25 1.48 116.57 121.11 1ywl h LYS 85 Ca -0.36 0.05 0.36 0.00 -1.27 0.00 0.00 60.65 59.43 1ywl h LYS 85 Cb 2.05 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.97 1ywl h LYS 85 CO 0.13 -0.53 0.85 0.00 -2.27 0.00 0.00 179.45 177.62 1ywl h THR 86 N -0.82 0.35 0.11 1.00 1.03 -0.29 1.25 112.91 115.54 1ywl h THR 86 Ca -0.03 -0.05 -0.22 0.00 -0.01 0.00 0.00 66.41 66.10 1ywl h THR 86 Cb 0.75 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1ywl h THR 86 CO -0.10 0.03 -1.09 0.15 -0.01 0.00 0.00 175.52 174.50 1ywl h PHE 87 N 0.15 0.43 -0.43 0.00 3.57 -1.19 -3.26 116.94 116.20 1ywl h PHE 87 Ca 0.66 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1ywl h PHE 87 Cb 2.22 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.92 1ywl h PHE 87 CO -0.00 1.42 0.25 1.25 -2.23 0.00 0.00 178.31 179.00 1ywl h HIS 88 N -0.41 0.58 -0.12 0.41 2.76 0.51 -3.07 115.15 115.82 1ywl h HIS 88 Ca -0.23 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 57.96 1ywl h HIS 88 Cb 1.64 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 30.38 1ywl h HIS 88 CO 0.16 0.42 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.84 1ywl h LEU 89 N 0.57 -0.99 -9.35 0.26 3.38 0.13 -3.41 115.31 105.90 1ywl h LEU 89 Ca 0.15 0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.67 1ywl h LEU 89 Cb 0.02 0.39 0.19 0.00 0.09 0.00 0.00 40.66 41.35 1ywl h LEU 89 CO -0.03 -0.26 -0.84 1.21 0.09 0.00 0.00 178.44 178.62 1ywl n GLU 90 N -4.17 0.19 -3.62 1.13 2.13 -1.16 -5.00 120.64 110.14 1ywl n GLU 90 Ca -0.03 0.08 -0.06 0.00 0.66 0.00 0.00 57.16 57.82 1ywl n GLU 90 Cb 0.21 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.42 1ywl n GLU 90 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1ywl s HIS 91 N -1.93 -0.19 -0.05 4.31 -3.43 -1.26 -4.97 115.29 107.76 1ywl s HIS 91 Ca 0.60 0.34 -0.04 0.00 -0.80 0.00 0.00 55.06 55.16 1ywl s HIS 91 Cb -0.38 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.26 1ywl s HIS 91 CO 0.64 -0.17 0.08 1.58 -2.00 0.00 0.00 174.74 174.87 1ywl n HIS 92 N 0.72 -2.48 0.01 0.38 -0.00 -1.26 -5.02 115.22 107.57 1ywl n HIS 92 Ca -0.05 1.46 0.00 0.00 -0.00 0.00 0.00 57.72 59.13 1ywl n HIS 92 Cb 0.58 -2.88 0.00 0.00 -0.00 0.00 0.00 29.99 27.69 1ywl n HIS 92 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ywl n HIS 93 N 0.94 -2.02 -3.67 1.57 -0.00 -1.26 -5.06 115.22 105.72 1ywl n HIS 93 Ca -0.13 0.08 -0.29 0.00 -0.00 0.00 0.00 57.72 57.38 1ywl n HIS 93 Cb 0.20 0.57 -0.12 0.00 -0.00 0.00 0.00 29.99 30.63 1ywl n HIS 93 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1ywl s HIS 94 N -1.74 1.93 0.13 4.41 5.04 -1.26 -5.08 115.29 118.71 1ywl s HIS 94 Ca 0.00 -2.44 -0.24 0.00 -1.54 0.00 0.00 55.06 50.84 1ywl s HIS 94 Cb 0.00 -1.76 0.07 0.00 0.04 0.00 0.00 32.58 30.93 1ywl s HIS 94 CO 0.00 -0.77 0.67 -1.58 -2.34 0.00 0.00 174.74 170.72 1ywl s HIS 95 N 0.18 -0.48 -1.78 3.88 5.04 -1.26 -5.21 115.29 115.65 1ywl s HIS 95 Ca 0.20 0.27 0.14 0.00 -1.54 0.00 0.00 55.06 54.14 1ywl s HIS 95 Cb -0.18 0.56 0.11 0.00 0.04 0.00 0.00 32.58 33.12 1ywl s HIS 95 CO -0.04 -0.81 0.95 1.58 -2.34 0.00 0.00 174.74 174.08