#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywb n THR 3 N 5.14 0.00 -4.92 0.00 -2.24 -1.26 -5.00 114.28 106.00 1ywb n THR 3 Ca -0.04 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1ywb n THR 3 Cb 0.50 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.64 1ywb n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ywb s LYS 4 N -0.57 2.88 -0.85 -0.78 -0.14 -1.26 -5.05 119.74 113.98 1ywb s LYS 4 Ca 0.00 -0.73 -0.16 0.00 -1.36 0.00 0.00 55.97 53.72 1ywb s LYS 4 Cb 0.00 -2.44 0.17 0.00 -1.68 0.00 0.00 37.83 33.88 1ywb s LYS 4 CO 0.00 0.41 0.90 1.21 -0.76 0.00 0.00 175.35 177.11 1ywb s ASN 5 N -0.18 6.66 0.35 2.83 2.47 -1.26 -5.04 114.94 120.76 1ywb s ASN 5 Ca -0.01 -2.32 -0.28 0.00 0.42 0.00 0.00 52.86 50.68 1ywb s ASN 5 Cb -0.13 -2.29 -0.10 0.00 -1.45 0.00 0.00 41.25 37.28 1ywb s ASN 5 CO 0.03 -0.82 1.26 0.00 -3.72 0.00 0.00 177.10 173.86 1ywb s ALA 6 N 1.39 3.39 -0.17 1.71 0.00 -1.26 -4.99 121.76 121.84 1ywb s ALA 6 Ca 0.23 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 1ywb s ALA 6 Cb -0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1ywb s ALA 6 CO -0.08 -0.61 0.31 0.42 0.00 0.00 0.00 175.76 175.80 1ywb s ILE 7 N -1.21 5.29 0.62 0.00 -1.09 -1.26 -5.01 121.20 118.55 1ywb s ILE 7 Ca 0.51 0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 59.35 1ywb s ILE 7 Cb -0.37 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1ywb s ILE 7 CO 0.49 0.37 1.08 0.00 -1.23 0.00 0.00 174.94 175.64 1ywb s ALA 8 N 0.58 2.65 0.18 9.38 0.00 -1.26 -4.34 121.76 128.95 1ywb s ALA 8 Ca 0.17 0.44 -0.33 0.00 0.00 0.00 0.00 51.96 52.24 1ywb s ALA 8 Cb -0.13 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1ywb s ALA 8 CO 0.04 -0.97 1.53 0.94 0.00 0.00 0.00 175.76 177.30 1ywb n GLN 9 N -2.18 2.13 -1.99 0.00 7.27 -0.17 -4.91 117.38 117.53 1ywb n GLN 9 Ca 0.09 0.76 -0.42 0.00 0.07 0.00 0.00 57.00 57.51 1ywb n GLN 9 Cb 0.53 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.64 1ywb n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1ywb s THR 10 N 0.63 2.74 -0.82 1.69 2.01 -1.26 -2.37 115.64 118.26 1ywb s THR 10 Ca 0.76 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1ywb s THR 10 Cb -0.67 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1ywb s THR 10 CO 0.41 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1ywb n GLY 11 N 3.36 0.62 3.62 4.40 0.00 -1.26 -4.94 105.19 110.99 1ywb n GLY 11 Ca 0.12 -0.61 -0.47 0.00 0.00 0.00 0.00 46.02 45.06 1ywb n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ywb n PHE 12 N -3.26 1.74 -3.37 1.61 7.35 -1.00 -4.91 117.46 115.61 1ywb n PHE 12 Ca -0.09 0.55 -0.45 0.00 -0.76 0.00 0.00 57.45 56.69 1ywb n PHE 12 Cb 0.40 -2.38 -0.04 0.00 0.35 0.00 0.00 39.48 37.81 1ywb n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ywb s ASN 13 N 0.20 6.38 0.17 -2.13 3.84 -1.26 -4.94 114.94 117.20 1ywb s ASN 13 Ca 0.72 -2.36 -0.12 0.00 0.21 0.00 0.00 52.86 51.31 1ywb s ASN 13 Cb -0.76 -2.17 0.06 0.00 -0.55 0.00 0.00 41.25 37.83 1ywb s ASN 13 CO 0.50 -0.66 1.68 0.07 -2.79 0.00 0.00 177.10 175.91 1ywb h LYS 14 N 8.12 0.90 -0.11 0.43 2.10 -2.00 -2.62 116.57 123.39 1ywb h LYS 14 Ca -0.05 -0.21 -0.07 0.00 -2.00 0.00 0.00 60.65 58.32 1ywb h LYS 14 Cb 1.05 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1ywb h LYS 14 CO 0.85 0.82 -0.25 -0.44 -2.00 0.00 0.00 179.45 178.43 1ywb h ASP 15 N 0.80 0.18 -0.32 7.07 3.32 -1.92 0.26 116.42 125.81 1ywb h ASP 15 Ca 0.18 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1ywb h ASP 15 Cb 0.32 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1ywb h ASP 15 CO -0.00 0.44 -0.25 0.11 -1.72 0.00 0.00 179.24 177.82 1ywb h LYS 16 N 0.17 0.74 -0.14 3.56 1.57 -1.95 -3.16 116.57 117.36 1ywb h LYS 16 Ca 0.03 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1ywb h LYS 16 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ywb h LYS 16 CO 0.04 0.98 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.92 1ywb h TYR 17 N 0.51 0.33 -1.30 -1.35 3.20 -1.13 -3.27 116.97 113.95 1ywb h TYR 17 Ca 0.06 -0.08 -0.70 0.00 3.14 0.00 0.00 58.73 61.15 1ywb h TYR 17 Cb 0.81 -0.08 -0.16 0.00 1.54 0.00 0.00 36.73 38.85 1ywb h TYR 17 CO 0.07 0.61 1.77 1.19 -1.64 0.00 0.00 178.16 180.16 1ywb n PHE 18 N -4.67 2.42 0.55 -3.82 3.72 0.05 -4.63 117.46 111.08 1ywb n PHE 18 Ca -0.06 -2.59 0.12 0.00 -0.05 0.00 0.00 57.45 54.87 1ywb n PHE 18 Cb 0.28 -1.64 0.17 0.00 -0.94 0.00 0.00 39.48 37.36 1ywb n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ywb n ASN 19 N 1.24 3.31 0.00 4.37 6.94 -1.11 -3.74 115.26 126.27 1ywb n ASN 19 Ca 0.57 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 1ywb n ASN 19 Cb 0.31 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1ywb n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ywb n GLY 20 N 1.44 0.82 3.99 4.83 0.00 0.49 -4.95 105.19 111.82 1ywb n GLY 20 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ywb n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywb s ASP 21 N -2.82 4.12 -0.04 1.61 2.15 -1.24 -4.69 116.67 115.76 1ywb s ASP 21 Ca 0.00 -0.41 -0.06 0.00 0.43 0.00 0.00 52.55 52.51 1ywb s ASP 21 Cb 0.00 0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.71 1ywb s ASP 21 CO 0.00 -2.03 0.22 -0.69 -0.17 0.00 0.00 175.17 172.50 1ywb s VAL 22 N -3.24 5.38 -0.09 1.11 1.01 -1.26 -2.60 120.40 120.71 1ywb s VAL 22 Ca 0.68 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.86 1ywb s VAL 22 Cb -0.04 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1ywb s VAL 22 CO 0.46 0.45 -0.23 0.26 0.00 0.00 0.00 175.10 176.04 1ywb s TRP 23 N -1.20 2.55 -0.12 5.22 0.52 0.73 -4.61 118.94 122.03 1ywb s TRP 23 Ca 0.23 -0.86 -0.05 0.00 0.02 0.00 0.00 56.10 55.43 1ywb s TRP 23 Cb -0.13 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1ywb s TRP 23 CO 0.13 -0.31 0.07 0.71 0.02 0.00 0.00 176.95 177.57 1ywb s TYR 24 N 0.14 3.35 -0.21 -1.98 2.02 -0.19 -0.85 117.35 119.63 1ywb s TYR 24 Ca -0.12 0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.58 1ywb s TYR 24 Cb -0.16 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1ywb s TYR 24 CO 0.07 0.49 1.14 0.08 -1.57 0.00 0.00 175.55 175.75 1ywb s VAL 25 N -0.61 4.50 -0.10 0.71 1.01 -0.50 -1.19 120.40 124.22 1ywb s VAL 25 Ca 0.11 1.81 0.20 0.00 0.00 0.00 0.00 61.98 64.10 1ywb s VAL 25 Cb -0.12 -4.19 -0.29 0.00 0.00 0.00 0.00 36.38 31.78 1ywb s VAL 25 CO 0.02 -0.18 0.29 0.35 0.00 0.00 0.00 175.10 175.58 1ywb n THR 26 N 5.39 0.60 -3.67 3.92 -2.24 -0.02 -4.64 114.28 113.62 1ywb n THR 26 Ca 0.13 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.12 1ywb n THR 26 Cb 0.46 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1ywb n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ywb s ASP 27 N -4.89 -0.40 0.07 3.42 1.11 -1.18 -0.99 116.67 113.81 1ywb s ASP 27 Ca -0.09 0.44 -0.06 0.00 0.18 0.00 0.00 52.55 53.03 1ywb s ASP 27 Cb 0.10 0.50 -0.02 0.00 1.07 0.00 0.00 42.92 44.58 1ywb s ASP 27 CO 0.86 -0.45 0.10 -0.72 1.18 0.00 0.00 175.17 176.13 1ywb s TYR 28 N -1.02 0.30 -0.13 4.23 1.13 -0.03 -0.74 117.35 121.09 1ywb s TYR 28 Ca -0.10 -0.78 -0.05 0.00 -1.41 0.00 0.00 57.07 54.73 1ywb s TYR 28 Cb -0.03 -0.19 0.06 0.00 -1.10 0.00 0.00 41.96 40.70 1ywb s TYR 28 CO 0.06 -0.48 0.27 -1.17 -2.51 0.00 0.00 175.55 171.71 1ywb s LEU 29 N -2.88 -0.29 -0.21 -3.49 2.96 -0.19 -0.30 118.68 114.28 1ywb s LEU 29 Ca 0.06 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1ywb s LEU 29 Cb 0.06 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.43 1ywb s LEU 29 CO -0.11 -0.24 0.07 -0.62 -1.32 0.00 0.00 176.35 174.13 1ywb s ASP 30 N 2.40 5.44 0.61 3.68 3.68 -1.26 -0.56 116.67 130.67 1ywb s ASP 30 Ca 0.01 -0.03 0.39 0.00 2.13 0.00 0.00 52.55 55.05 1ywb s ASP 30 Cb -0.12 -1.95 1.96 0.00 -1.45 0.00 0.00 42.92 41.36 1ywb s ASP 30 CO -0.09 0.09 2.21 -0.07 0.13 0.00 0.00 175.17 177.44 1ywb h LEU 31 N 7.32 0.00 -7.51 -1.34 3.38 -1.44 -2.87 115.31 112.84 1ywb h LEU 31 Ca -0.37 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.87 1ywb h LEU 31 Cb 1.17 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.60 1ywb h LEU 31 CO 0.64 0.01 -0.04 -1.61 0.09 0.00 0.00 178.44 177.53 1ywb s GLU 32 N -3.98 3.30 0.51 1.13 2.02 -1.26 -4.98 118.70 115.44 1ywb s GLU 32 Ca -0.03 -2.93 0.24 0.00 0.02 0.00 0.00 54.97 52.28 1ywb s GLU 32 Cb 0.12 -4.08 1.38 0.00 0.10 0.00 0.00 34.13 31.65 1ywb s GLU 32 CO 0.48 -1.24 2.07 -1.00 0.02 0.00 0.00 175.26 175.58 1ywb h PRO 33 N 6.70 0.00 0.00 0.39 0.13 -1.89 -1.52 132.00 135.81 1ywb h PRO 33 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ywb h PRO 33 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ywb h PRO 33 CO 0.82 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 1ywb n ASP 34 N -3.82 0.00 0.22 1.44 10.43 -1.26 -3.26 116.55 120.30 1ywb n ASP 34 Ca -0.02 -0.25 0.14 0.00 2.57 0.00 0.00 54.79 57.24 1ywb n ASP 34 Cb 0.22 -0.22 0.43 0.00 1.84 0.00 0.00 41.12 43.40 1ywb n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1ywb h ASP 35 N 0.00 0.00 -4.59 -2.24 5.19 -1.61 -3.45 116.42 109.71 1ywb h ASP 35 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 1ywb h ASP 35 Cb 0.18 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.50 1ywb h ASP 35 CO 0.00 0.00 -0.73 0.68 -3.12 0.00 0.00 179.24 176.07 1ywb s VAL 36 N -3.39 0.73 1.01 -1.35 -7.23 -1.20 -5.03 120.40 103.95 1ywb s VAL 36 Ca 0.05 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 1ywb s VAL 36 Cb 0.08 -1.12 0.20 0.00 0.56 0.00 0.00 36.38 36.10 1ywb s VAL 36 CO 0.58 -0.54 1.09 -2.84 -0.31 0.00 0.00 175.10 173.07 1ywb s PRO 37 N -2.49 0.26 0.28 4.82 0.02 -1.26 -4.95 135.00 131.68 1ywb s PRO 37 Ca 0.00 1.11 0.24 0.00 0.02 0.00 0.00 61.00 62.37 1ywb s PRO 37 Cb -0.04 -1.67 0.38 0.00 0.02 0.00 0.00 34.50 33.19 1ywb s PRO 37 CO -0.01 -3.01 1.48 0.87 -0.33 0.00 0.00 177.00 176.00 1ywb h LYS 38 N -2.12 0.00 -4.59 5.54 1.57 -1.99 -3.43 116.57 111.55 1ywb h LYS 38 Ca -0.52 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.71 1ywb h LYS 38 Cb 1.30 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.26 1ywb h LYS 38 CO 0.48 0.00 -0.82 1.03 -0.57 0.00 0.00 179.45 179.56 1ywb s ARG 39 N -3.21 1.93 0.24 3.15 1.81 -1.26 -4.95 118.95 116.66 1ywb s ARG 39 Ca 0.06 -0.46 -0.20 0.00 -1.72 0.00 0.00 55.73 53.41 1ywb s ARG 39 Cb 0.09 -1.68 0.03 0.00 -0.45 0.00 0.00 34.95 32.94 1ywb s ARG 39 CO 0.69 -0.07 0.64 -0.47 -0.68 0.00 0.00 175.30 175.40 1ywb s TYR 40 N 1.01 -0.17 -0.10 -0.53 6.14 -1.26 -4.46 117.35 117.98 1ywb s TYR 40 Ca -0.07 -0.21 -0.08 0.00 0.64 0.00 0.00 57.07 57.34 1ywb s TYR 40 Cb -0.15 0.57 0.03 0.00 0.42 0.00 0.00 41.96 42.83 1ywb s TYR 40 CO -0.01 -1.09 0.25 0.00 0.64 0.00 0.00 175.55 175.35 1ywb s ALA 42 N 0.38 -1.29 0.20 0.00 0.00 -1.26 -0.42 121.76 119.36 1ywb s ALA 42 Ca -0.02 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1ywb s ALA 42 Cb -0.04 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1ywb s ALA 42 CO -0.02 -0.33 0.49 0.00 0.00 0.00 0.00 175.76 175.91 1ywb s ALA 43 N -1.33 -0.77 0.08 0.00 0.00 -0.67 -1.41 121.76 117.66 1ywb s ALA 43 Ca -0.12 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1ywb s ALA 43 Cb -0.02 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1ywb s ALA 43 CO 0.07 -0.79 0.25 -0.48 0.00 0.00 0.00 175.76 174.80 1ywb s LEU 44 N -2.90 1.15 0.11 0.00 0.05 -0.03 -0.98 118.68 116.08 1ywb s LEU 44 Ca 0.11 -0.47 0.07 0.00 0.05 0.00 0.00 54.13 53.89 1ywb s LEU 44 Cb -0.01 1.21 -0.04 0.00 -2.05 0.00 0.00 46.19 45.31 1ywb s LEU 44 CO -0.01 -0.70 -0.06 0.00 -0.55 0.00 0.00 176.35 175.02 1ywb s ALA 45 N -3.41 3.07 -0.04 1.48 0.00 0.27 -0.19 121.76 122.94 1ywb s ALA 45 Ca 0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1ywb s ALA 45 Cb 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1ywb s ALA 45 CO -0.09 0.63 0.09 0.00 0.00 0.00 0.00 175.76 176.40 1ywb s ALA 46 N -1.32 -0.08 0.06 0.00 0.00 -1.07 -1.10 121.76 118.25 1ywb s ALA 46 Ca 0.23 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1ywb s ALA 46 Cb -0.11 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.73 1ywb s ALA 46 CO 0.16 -0.16 1.15 0.20 0.00 0.00 0.00 175.76 177.11 1ywb s GLY 47 N 1.21 -0.30 -0.16 0.00 0.00 -0.60 -0.38 107.32 107.10 1ywb s GLY 47 Ca -0.08 0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 1ywb s GLY 47 CO -0.04 0.52 0.24 -1.59 0.00 0.00 0.00 173.10 172.23 1ywb s THR 48 N -2.69 5.34 -0.18 0.90 2.01 -1.25 -0.60 115.64 119.17 1ywb s THR 48 Ca 0.15 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1ywb s THR 48 Cb 0.02 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 69.00 1ywb s THR 48 CO -0.01 0.43 -0.09 0.00 -0.69 0.00 0.00 174.62 174.27 1ywb s ALA 49 N 0.21 1.78 -1.48 7.40 0.00 -0.09 -4.75 121.76 124.83 1ywb s ALA 49 Ca 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1ywb s ALA 49 Cb -0.13 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1ywb s ALA 49 CO 0.03 -0.74 0.42 0.45 0.00 0.00 0.00 175.76 175.92 1ywb n SER 50 N 4.77 -0.64 0.00 0.00 2.88 -1.26 -1.18 113.62 118.18 1ywb n SER 50 Ca -0.14 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1ywb n SER 50 Cb 0.47 -2.80 0.00 0.00 -0.75 0.00 0.00 64.21 61.13 1ywb n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ywb n GLY 51 N -1.97 1.94 3.67 0.46 0.00 -1.26 -5.01 105.19 103.02 1ywb n GLY 51 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1ywb n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ywb s LYS 52 N -0.20 3.76 -0.18 1.61 -0.14 -0.33 -5.07 119.74 119.20 1ywb s LYS 52 Ca 0.00 -0.33 -0.29 0.00 -1.36 0.00 0.00 55.97 53.99 1ywb s LYS 52 Cb 0.00 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1ywb s LYS 52 CO 0.00 0.40 1.21 -1.17 -0.76 0.00 0.00 175.35 175.03 1ywb s LEU 53 N 0.00 4.17 0.08 3.17 2.96 -1.26 -0.91 118.68 126.88 1ywb s LEU 53 Ca 0.06 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.64 1ywb s LEU 53 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1ywb s LEU 53 CO 0.01 -0.73 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.64 1ywb s LYS 54 N 3.37 0.82 0.03 1.98 -0.14 0.23 -1.09 119.74 124.94 1ywb s LYS 54 Ca 0.52 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.16 1ywb s LYS 54 Cb -0.20 -0.74 -0.02 0.00 -1.68 0.00 0.00 37.83 35.19 1ywb s LYS 54 CO 0.13 0.15 -0.11 -1.21 -0.76 0.00 0.00 175.35 173.55 1ywb s GLU 55 N -2.01 0.76 -0.09 1.68 2.02 -0.61 -1.55 118.70 118.89 1ywb s GLU 55 Ca -0.00 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.36 1ywb s GLU 55 Cb -0.08 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1ywb s GLU 55 CO 0.02 0.17 -0.23 0.00 0.02 0.00 0.00 175.26 175.24 1ywb s ALA 56 N -0.85 2.07 0.13 5.21 0.00 -0.26 -0.73 121.76 127.33 1ywb s ALA 56 Ca -0.01 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.12 1ywb s ALA 56 Cb -0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1ywb s ALA 56 CO 0.01 0.28 -0.15 -0.51 0.00 0.00 0.00 175.76 175.39 1ywb s LEU 57 N 0.33 2.79 -0.04 0.00 1.43 0.18 -0.56 118.68 122.81 1ywb s LEU 57 Ca -0.17 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1ywb s LEU 57 Cb -0.17 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1ywb s LEU 57 CO 0.08 0.16 -0.04 -0.47 0.23 0.00 0.00 176.35 176.30 1ywb s TYR 58 N -1.30 0.69 -0.02 0.29 5.04 -0.15 -1.58 117.35 120.32 1ywb s TYR 58 Ca 0.20 -0.18 0.05 0.00 -2.44 0.00 0.00 57.07 54.70 1ywb s TYR 58 Cb -0.10 -0.61 -0.01 0.00 0.35 0.00 0.00 41.96 41.59 1ywb s TYR 58 CO 0.12 -0.16 -0.17 -1.01 -1.34 0.00 0.00 175.55 172.98 1ywb s HIS 59 N 0.79 1.59 -0.13 4.97 3.76 -0.36 -1.68 115.29 124.22 1ywb s HIS 59 Ca -0.10 -0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 54.41 1ywb s HIS 59 Cb -0.13 -1.04 0.06 0.00 1.11 0.00 0.00 32.58 32.58 1ywb s HIS 59 CO 0.00 -0.06 0.29 -0.47 -0.85 0.00 0.00 174.74 173.64 1ywb s TYR 60 N -0.28 -0.45 -0.39 1.40 5.04 0.44 -1.54 117.35 121.56 1ywb s TYR 60 Ca 0.04 1.01 -0.22 0.00 -2.44 0.00 0.00 57.07 55.45 1ywb s TYR 60 Cb -0.08 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1ywb s TYR 60 CO 0.00 -0.34 0.74 0.34 -1.34 0.00 0.00 175.55 174.95 1ywb s ASP 61 N 2.08 6.46 0.20 4.32 -1.08 -0.13 -1.23 116.67 127.30 1ywb s ASP 61 Ca -0.02 0.11 0.23 0.00 -0.52 0.00 0.00 52.55 52.35 1ywb s ASP 61 Cb -0.11 -2.37 0.91 0.00 -1.46 0.00 0.00 42.92 39.89 1ywb s ASP 61 CO -0.09 -0.76 1.70 -0.81 0.52 0.00 0.00 175.17 175.73 1ywb n PRO 62 N 6.40 0.17 -0.11 4.34 -0.04 -1.26 -0.35 135.00 144.16 1ywb n PRO 62 Ca 0.01 0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 63.59 1ywb n PRO 62 Cb 0.48 -1.80 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 1ywb n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ywb n LYS 63 N -2.12 0.57 0.16 0.54 5.02 -1.26 -4.50 118.16 116.56 1ywb n LYS 63 Ca 0.03 0.55 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1ywb n LYS 63 Cb 0.27 -1.73 0.14 0.00 -0.02 0.00 0.00 35.03 33.69 1ywb n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ywb h THR 64 N -1.00 0.00 -0.14 -0.18 1.35 -1.96 -3.47 112.91 107.51 1ywb h THR 64 Ca -0.38 -0.91 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 1ywb h THR 64 Cb 1.33 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 1ywb h THR 64 CO -0.23 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 174.99 1ywb n GLN 65 N -2.81 -0.66 -1.89 4.72 6.02 0.53 -4.99 117.38 118.29 1ywb n GLN 65 Ca 0.03 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 1ywb n GLN 65 Cb 0.52 -4.06 -0.03 0.00 1.02 0.00 0.00 30.24 27.70 1ywb n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ywb s ASP 66 N -2.34 6.56 -0.02 1.08 2.15 -1.24 -4.77 116.67 118.09 1ywb s ASP 66 Ca 0.00 2.58 0.01 0.00 0.43 0.00 0.00 52.55 55.57 1ywb s ASP 66 Cb 0.00 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 1ywb s ASP 66 CO 0.00 -0.89 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.19 1ywb s THR 67 N 2.14 0.36 -0.02 1.71 2.01 -1.26 -0.95 115.64 119.61 1ywb s THR 67 Ca 0.74 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.41 1ywb s THR 67 Cb -0.42 -0.37 0.05 0.00 0.01 0.00 0.00 72.50 71.77 1ywb s THR 67 CO 0.32 0.15 0.54 0.72 -0.69 0.00 0.00 174.62 175.66 1ywb s PHE 68 N 0.55 -0.47 0.13 4.92 -0.71 -0.59 -5.02 117.98 116.80 1ywb s PHE 68 Ca -0.06 0.74 0.08 0.00 -1.04 0.00 0.00 56.93 56.65 1ywb s PHE 68 Cb -0.09 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1ywb s PHE 68 CO -0.01 -0.55 -0.11 0.71 -1.34 0.00 0.00 175.22 173.92 1ywb s TYR 69 N -1.46 2.67 0.03 3.49 1.51 -1.24 -1.23 117.35 121.12 1ywb s TYR 69 Ca -0.11 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1ywb s TYR 69 Cb -0.02 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1ywb s TYR 69 CO 0.06 0.44 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.40 1ywb s ASP 70 N -2.39 0.43 -0.05 2.29 1.11 -0.61 -1.43 116.67 116.03 1ywb s ASP 70 Ca 0.22 -0.64 0.05 0.00 0.18 0.00 0.00 52.55 52.36 1ywb s ASP 70 Cb -0.10 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 43.99 1ywb s ASP 70 CO 0.13 -0.36 -0.20 -0.69 1.18 0.00 0.00 175.17 175.24 1ywb s VAL 71 N -2.09 1.65 -0.01 -1.27 1.01 -0.37 -0.65 120.40 118.67 1ywb s VAL 71 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1ywb s VAL 71 Cb -0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1ywb s VAL 71 CO -0.03 0.47 -0.11 -0.44 0.00 0.00 0.00 175.10 174.99 1ywb s SER 72 N -0.05 1.27 -0.21 3.32 0.01 0.09 -1.25 113.70 116.88 1ywb s SER 72 Ca -0.03 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 1ywb s SER 72 Cb -0.12 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1ywb s SER 72 CO 0.03 0.13 0.14 -1.61 0.41 0.00 0.00 173.24 172.34 1ywb s GLU 73 N -0.29 4.16 -0.15 12.44 2.02 -1.25 -1.58 118.70 134.05 1ywb s GLU 73 Ca 0.04 -0.23 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 1ywb s GLU 73 Cb -0.04 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1ywb s GLU 73 CO -0.00 0.23 0.21 -0.51 0.02 0.00 0.00 175.26 175.20 1ywb s LEU 74 N 0.57 4.30 0.04 1.80 1.02 -0.25 -3.46 118.68 122.69 1ywb s LEU 74 Ca 0.08 0.45 -0.00 0.00 0.02 0.00 0.00 54.13 54.68 1ywb s LEU 74 Cb -0.12 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 1ywb s LEU 74 CO 0.00 0.23 0.16 -1.10 0.02 0.00 0.00 176.35 175.67 1ywb s GLN 75 N -0.13 3.29 -0.17 1.70 -1.52 0.15 -4.61 119.66 118.36 1ywb s GLN 75 Ca 0.14 -0.47 -0.18 0.00 -1.95 0.00 0.00 55.36 52.90 1ywb s GLN 75 Cb -0.12 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 1ywb s GLN 75 CO 0.03 0.62 0.50 0.08 -0.25 0.00 0.00 175.29 176.27 1ywb s VAL 76 N -1.41 5.14 -0.18 1.09 1.01 -1.26 -1.42 120.40 123.38 1ywb s VAL 76 Ca 0.31 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1ywb s VAL 76 Cb -0.13 -3.83 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 1ywb s VAL 76 CO 0.23 0.23 0.12 -0.62 0.00 0.00 0.00 175.10 175.06 1ywb n GLU 77 N 4.42 0.71 -3.82 2.72 -0.58 -0.21 -4.95 120.64 118.92 1ywb n GLU 77 Ca -0.06 0.20 -0.02 0.00 -0.42 0.00 0.00 57.16 56.87 1ywb n GLU 77 Cb 0.51 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1ywb n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ywb s SER 78 N -6.71 -0.06 0.07 1.62 1.04 -1.04 -5.02 113.70 103.62 1ywb s SER 78 Ca -0.26 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 55.37 1ywb s SER 78 Cb 0.08 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1ywb s SER 78 CO 0.70 -0.82 1.66 -0.22 0.98 0.00 0.00 173.24 175.54 1ywb s LEU 79 N -3.25 4.37 0.00 2.42 2.96 -1.26 -1.28 118.68 122.64 1ywb s LEU 79 Ca 0.19 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 1ywb s LEU 79 Cb -0.01 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1ywb s LEU 79 CO 0.03 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 1ywb n GLY 80 N 3.99 0.59 2.84 7.98 0.00 -1.26 -4.77 105.19 114.57 1ywb n GLY 80 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1ywb n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ywb s LYS 81 N -0.14 0.93 0.12 1.61 2.20 -0.40 -0.99 119.74 123.06 1ywb s LYS 81 Ca 0.00 -0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1ywb s LYS 81 Cb 0.00 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 1ywb s LYS 81 CO 0.00 -0.23 -0.10 0.71 -0.36 0.00 0.00 175.35 175.37 1ywb s TYR 82 N 1.60 1.17 -0.12 4.03 2.02 -0.09 -1.05 117.35 124.91 1ywb s TYR 82 Ca 0.00 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 56.04 1ywb s TYR 82 Cb -0.13 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1ywb s TYR 82 CO -0.04 0.04 -0.22 0.99 -1.57 0.00 0.00 175.55 174.75 1ywb s THR 83 N -2.79 2.00 -0.22 -0.71 2.01 -0.50 -1.10 115.64 114.32 1ywb s THR 83 Ca 0.10 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1ywb s THR 83 Cb -0.01 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1ywb s THR 83 CO 0.00 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.32 1ywb s ALA 84 N 0.67 2.46 -0.25 7.40 0.00 0.44 -0.67 121.76 131.80 1ywb s ALA 84 Ca -0.11 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.20 1ywb s ALA 84 Cb -0.16 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1ywb s ALA 84 CO 0.02 -0.70 0.68 -0.80 0.00 0.00 0.00 175.76 174.96 1ywb s ASN 85 N 1.23 6.64 0.14 0.00 0.01 -1.22 -0.37 114.94 121.36 1ywb s ASN 85 Ca -0.00 0.79 0.05 0.00 -0.71 0.00 0.00 52.86 52.98 1ywb s ASN 85 Cb -0.16 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1ywb s ASN 85 CO -0.09 -0.41 0.10 0.72 -1.51 0.00 0.00 177.10 175.91 1ywb s PHE 86 N 2.59 3.13 -0.04 2.20 -0.12 -1.22 -3.78 117.98 120.73 1ywb s PHE 86 Ca 0.28 0.00 0.06 0.00 -0.05 0.00 0.00 56.93 57.22 1ywb s PHE 86 Cb -0.15 -1.54 -0.01 0.00 -0.63 0.00 0.00 43.02 40.69 1ywb s PHE 86 CO 0.08 0.52 -0.22 -1.59 -0.05 0.00 0.00 175.22 173.96 1ywb s LYS 87 N -2.83 2.12 0.04 1.99 -2.85 -0.38 -4.14 119.74 113.69 1ywb s LYS 87 Ca 0.30 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 54.20 1ywb s LYS 87 Cb -0.11 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.76 1ywb s LYS 87 CO 0.22 0.35 0.94 0.21 0.10 0.00 0.00 175.35 177.17 1ywb s LYS 88 N -0.16 4.60 0.12 1.78 2.20 -0.49 -1.24 119.74 126.55 1ywb s LYS 88 Ca -0.01 1.37 0.03 0.00 -0.36 0.00 0.00 55.97 57.00 1ywb s LYS 88 Cb -0.12 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1ywb s LYS 88 CO 0.02 0.08 -0.08 0.14 -0.36 0.00 0.00 175.35 175.15 1ywb s VAL 89 N 0.54 0.91 1.08 4.02 -7.23 -0.51 -0.38 120.40 118.83 1ywb s VAL 89 Ca 0.48 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1ywb s VAL 89 Cb -0.22 -1.70 0.26 0.00 0.56 0.00 0.00 36.38 35.28 1ywb s VAL 89 CO 0.28 -0.78 1.27 1.51 -0.31 0.00 0.00 175.10 177.07 1ywb s ASP 90 N -3.01 2.01 0.46 4.85 1.47 -0.21 -3.70 116.67 118.55 1ywb s ASP 90 Ca 0.13 0.27 0.32 0.00 1.18 0.00 0.00 52.55 54.44 1ywb s ASP 90 Cb 0.03 -0.27 1.45 0.00 -0.34 0.00 0.00 42.92 43.79 1ywb s ASP 90 CO -0.02 -3.42 1.94 0.07 0.68 0.00 0.00 175.17 174.43 1ywb h LYS 91 N -2.11 0.00 -0.36 2.11 2.10 -1.95 -0.97 116.57 115.39 1ywb h LYS 91 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1ywb h LYS 91 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1ywb h LYS 91 CO 0.30 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.84 1ywb n ASN 92 N -2.74 2.99 0.00 7.07 3.02 -1.26 -4.79 115.26 119.55 1ywb n ASN 92 Ca 0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1ywb n ASN 92 Cb 0.20 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1ywb n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ywb n GLY 93 N 1.41 0.74 3.73 7.41 0.00 -0.37 -5.00 105.19 113.10 1ywb n GLY 93 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ywb n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ywb s ASN 94 N -2.66 7.06 -0.02 1.61 0.01 -1.26 -4.78 114.94 114.91 1ywb s ASN 94 Ca 0.00 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.01 1ywb s ASN 94 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1ywb s ASN 94 CO 0.00 -0.43 1.24 -0.69 -1.51 0.00 0.00 177.10 175.70 1ywb s VAL 95 N 0.45 4.10 -0.23 1.60 1.01 -1.26 -1.05 120.40 125.03 1ywb s VAL 95 Ca 0.56 1.46 0.08 0.00 0.00 0.00 0.00 61.98 64.08 1ywb s VAL 95 Cb -0.32 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 1ywb s VAL 95 CO 0.33 0.03 -0.11 0.29 0.00 0.00 0.00 175.10 175.64 1ywb n LYS 96 N 4.91 0.71 -3.65 2.72 5.02 0.49 -4.92 118.16 123.44 1ywb n LYS 96 Ca 0.11 0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 1ywb n LYS 96 Cb 0.46 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.80 1ywb n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ywb s VAL 97 N -2.48 -0.04 0.86 -0.18 1.01 -0.82 -4.98 120.40 113.77 1ywb s VAL 97 Ca -0.24 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1ywb s VAL 97 Cb 0.07 -0.43 0.11 0.00 0.00 0.00 0.00 36.38 36.13 1ywb s VAL 97 CO 0.65 -0.07 1.10 0.00 0.00 0.00 0.00 175.10 176.79 1ywb s ALA 98 N 2.13 1.75 -0.02 5.51 0.00 -1.26 -1.39 121.76 128.48 1ywb s ALA 98 Ca 0.03 0.28 -0.36 0.00 0.00 0.00 0.00 51.96 51.92 1ywb s ALA 98 Cb -0.14 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 1ywb s ALA 98 CO -0.06 -2.28 1.65 0.28 0.00 0.00 0.00 175.76 175.35 1ywb n VAL 99 N -3.87 0.24 -4.25 0.00 0.31 -1.26 -4.77 118.33 104.73 1ywb n VAL 99 Ca 0.09 -0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.14 1ywb n VAL 99 Cb 0.53 -1.42 -0.17 0.00 -0.91 0.00 0.00 33.84 31.87 1ywb n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ywb s THR 100 N 2.31 0.88 -0.27 2.52 2.01 -1.26 -5.07 115.64 116.77 1ywb s THR 100 Ca 0.88 -0.29 -0.40 0.00 0.31 0.00 0.00 61.69 62.20 1ywb s THR 100 Cb -0.82 -0.86 -0.16 0.00 0.01 0.00 0.00 72.50 70.67 1ywb s THR 100 CO 0.50 0.31 1.74 0.00 -0.69 0.00 0.00 174.62 176.48 1ywb n ALA 101 N 4.24 -0.18 -0.16 7.40 0.00 -1.26 -0.39 120.51 130.17 1ywb n ALA 101 Ca -0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ywb n ALA 101 Cb 0.51 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1ywb n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ywb n GLY 102 N 4.18 0.65 3.28 0.00 0.00 -1.26 -4.81 105.19 107.22 1ywb n GLY 102 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1ywb n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ywb s ASN 103 N -2.83 5.95 0.17 1.61 -0.87 0.48 -1.09 114.94 118.35 1ywb s ASN 103 Ca 0.00 -1.74 -0.16 0.00 -1.57 0.00 0.00 52.86 49.40 1ywb s ASN 103 Cb 0.00 -2.11 0.02 0.00 -0.02 0.00 0.00 41.25 39.14 1ywb s ASN 103 CO 0.00 -0.73 0.44 -0.72 -2.57 0.00 0.00 177.10 173.52 1ywb s TYR 104 N 1.50 -0.06 0.06 2.20 1.13 -0.56 -3.46 117.35 118.16 1ywb s TYR 104 Ca 0.04 -0.28 0.04 0.00 -1.41 0.00 0.00 57.07 55.46 1ywb s TYR 104 Cb -0.27 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1ywb s TYR 104 CO 0.02 -0.81 -0.12 1.52 -2.51 0.00 0.00 175.55 173.65 1ywb s TYR 105 N -3.87 1.05 0.34 -3.49 1.13 0.50 -0.56 117.35 112.45 1ywb s TYR 105 Ca 0.08 -0.46 -0.08 0.00 -1.41 0.00 0.00 57.07 55.21 1ywb s TYR 105 Cb 0.01 -0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 40.21 1ywb s TYR 105 CO -0.05 0.01 0.65 0.95 -2.51 0.00 0.00 175.55 174.60 1ywb s THR 106 N -1.26 4.91 -0.16 -3.49 -4.23 -0.91 -0.42 115.64 110.07 1ywb s THR 106 Ca -0.04 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1ywb s THR 106 Cb -0.10 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.09 1ywb s THR 106 CO 0.02 -0.40 0.29 0.12 -0.54 0.00 0.00 174.62 174.10 1ywb s PHE 107 N -2.20 -0.49 -0.11 3.99 5.36 -0.26 -3.03 117.98 121.23 1ywb s PHE 107 Ca 0.48 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.41 1ywb s PHE 107 Cb -0.11 -0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 1ywb s PHE 107 CO 0.30 -0.43 -0.18 0.99 -1.46 0.00 0.00 175.22 174.44 1ywb s THR 108 N 2.45 1.69 -0.54 0.12 2.01 -0.14 -0.91 115.64 120.32 1ywb s THR 108 Ca 0.03 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1ywb s THR 108 Cb -0.13 -1.51 0.06 0.00 0.01 0.00 0.00 72.50 70.93 1ywb s THR 108 CO -0.10 0.48 0.70 -0.69 -0.69 0.00 0.00 174.62 174.32 1ywb s VAL 109 N 0.85 4.77 -0.17 3.82 1.01 -0.16 -1.31 120.40 129.20 1ywb s VAL 109 Ca -0.09 -0.48 0.17 0.00 0.00 0.00 0.00 61.98 61.59 1ywb s VAL 109 Cb -0.15 -4.39 0.12 0.00 0.00 0.00 0.00 36.38 31.96 1ywb s VAL 109 CO -0.00 -0.94 1.50 0.24 0.00 0.00 0.00 175.10 175.90 1ywb h MET 110 N 9.10 0.00 -1.76 2.72 2.86 -1.14 -0.42 114.93 126.30 1ywb h MET 110 Ca -0.28 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1ywb h MET 110 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.53 1ywb h MET 110 CO 1.02 0.41 0.37 -0.47 1.06 0.00 0.00 176.91 179.29 1ywb s TYR 111 N -3.06 -0.53 -0.07 -0.22 5.04 -1.04 -3.07 117.35 114.41 1ywb s TYR 111 Ca 0.04 1.01 -0.30 0.00 -2.44 0.00 0.00 57.07 55.37 1ywb s TYR 111 Cb 0.07 0.41 0.07 0.00 0.35 0.00 0.00 41.96 42.86 1ywb s TYR 111 CO 0.73 -0.42 0.68 0.00 -1.34 0.00 0.00 175.55 175.20 1ywb s ALA 112 N -0.80 -1.77 0.00 3.97 0.00 -1.26 -1.09 121.76 120.81 1ywb s ALA 112 Ca -0.04 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1ywb s ALA 112 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ywb s ALA 112 CO 0.03 -0.37 0.00 -0.40 0.00 0.00 0.00 175.76 175.03 1ywb n ASP 113 N 1.09 0.05 0.25 0.00 5.68 -0.07 -4.95 116.55 118.60 1ywb n ASP 113 Ca -0.19 -0.60 0.12 0.00 -0.50 0.00 0.00 54.79 53.63 1ywb n ASP 113 Cb 0.57 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.19 1ywb n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ywb h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 1ywb h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ywb h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ywb h ASP 114 CO 0.00 0.16 -0.51 -1.20 -1.72 0.00 0.00 179.24 175.96 1ywb n SER 115 N -3.58 2.02 -3.97 6.45 7.64 -1.26 -4.86 113.62 116.05 1ywb n SER 115 Ca -0.01 -0.31 -0.08 0.00 1.01 0.00 0.00 58.87 59.48 1ywb n SER 115 Cb 0.29 1.04 -0.09 0.00 -1.01 0.00 0.00 64.21 64.45 1ywb n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ywb s SER 116 N -1.61 0.28 0.15 6.43 1.04 -1.25 -0.96 113.70 117.78 1ywb s SER 116 Ca 0.00 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.36 1ywb s SER 116 Cb 0.01 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.49 1ywb s SER 116 CO 0.07 -0.68 0.61 0.00 0.98 0.00 0.00 173.24 174.22 1ywb s ALA 117 N -3.90 -1.61 -0.11 5.32 0.00 -0.79 -0.89 121.76 119.77 1ywb s ALA 117 Ca 0.07 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1ywb s ALA 117 Cb 0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1ywb s ALA 117 CO -0.10 -0.75 -0.13 -1.17 0.00 0.00 0.00 175.76 173.62 1ywb s LEU 118 N -2.66 1.60 0.23 0.00 2.96 -0.25 -0.46 118.68 120.09 1ywb s LEU 118 Ca 0.00 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1ywb s LEU 118 Cb -0.01 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 1ywb s LEU 118 CO -0.12 -0.03 -0.14 0.27 -1.32 0.00 0.00 176.35 175.01 1ywb s ILE 119 N 1.21 1.86 -0.02 6.68 -5.25 -0.30 -0.75 121.20 124.63 1ywb s ILE 119 Ca -0.03 -2.24 0.07 0.00 -0.99 0.00 0.00 60.65 57.47 1ywb s ILE 119 Cb -0.14 -2.15 -0.02 0.00 2.95 0.00 0.00 42.46 43.11 1ywb s ILE 119 CO -0.04 -0.52 -0.24 -2.28 -1.79 0.00 0.00 174.94 170.07 1ywb s HIS 120 N -2.89 2.13 0.02 1.37 5.65 -0.42 -1.14 115.29 120.01 1ywb s HIS 120 Ca 0.25 -0.43 0.02 0.00 0.25 0.00 0.00 55.06 55.15 1ywb s HIS 120 Cb -0.01 -1.38 -0.02 0.00 -1.18 0.00 0.00 32.58 30.00 1ywb s HIS 120 CO 0.09 -0.05 -0.06 -0.08 -0.65 0.00 0.00 174.74 173.98 1ywb s THR 121 N -0.51 0.45 -0.15 0.89 -1.32 0.21 -0.96 115.64 114.25 1ywb s THR 121 Ca 0.08 -0.71 -0.01 0.00 -1.21 0.00 0.00 61.69 59.84 1ywb s THR 121 Cb -0.10 -0.47 0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1ywb s THR 121 CO -0.00 -0.19 -0.05 0.00 -2.21 0.00 0.00 174.62 172.17 1ywb s LEU 123 N 1.69 4.34 -0.16 0.00 2.96 -1.26 -2.15 118.68 124.10 1ywb s LEU 123 Ca 0.02 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1ywb s LEU 123 Cb -0.14 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.38 1ywb s LEU 123 CO -0.08 -0.13 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.64 1ywb s HIS 124 N 0.76 2.75 -0.43 5.38 3.76 0.28 -1.86 115.29 125.93 1ywb s HIS 124 Ca 0.40 -1.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.04 1ywb s HIS 124 Cb -0.18 -1.89 0.12 0.00 1.11 0.00 0.00 32.58 31.74 1ywb s HIS 124 CO 0.20 -0.62 0.19 0.21 -0.85 0.00 0.00 174.74 173.87 1ywb s LYS 125 N 0.99 1.52 7.51 1.40 2.20 0.31 -1.50 119.74 132.16 1ywb s LYS 125 Ca -0.02 -2.10 0.00 0.00 -0.36 0.00 0.00 55.97 53.49 1ywb s LYS 125 Cb -0.15 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1ywb s LYS 125 CO -0.04 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 1ywb n GLY 126 N 3.69 4.18 1.12 5.54 0.00 -0.25 -2.26 105.19 117.20 1ywb n GLY 126 Ca 0.05 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ywb n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ywb n ASN 127 N 8.04 3.26 -4.89 1.61 3.02 -1.26 -4.85 115.26 120.18 1ywb n ASN 127 Ca 0.00 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 1ywb n ASN 127 Cb 0.00 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1ywb n ASN 127 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ywb s LYS 128 N -1.24 3.53 0.28 3.52 2.20 -0.96 -5.10 119.74 121.98 1ywb s LYS 128 Ca 0.41 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1ywb s LYS 128 Cb 0.22 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.41 1ywb s LYS 128 CO 0.29 0.64 0.00 0.16 -0.36 0.00 0.00 175.35 176.08 1ywb s ASP 129 N -1.86 2.35 -0.23 1.43 1.47 -1.26 -0.53 116.67 118.04 1ywb s ASP 129 Ca 0.29 -1.27 0.14 0.00 1.18 0.00 0.00 52.55 52.88 1ywb s ASP 129 Cb -0.13 -0.09 0.57 0.00 -0.34 0.00 0.00 42.92 42.94 1ywb s ASP 129 CO 0.18 -0.50 1.51 0.18 0.68 0.00 0.00 175.17 177.22 1ywb n LEU 130 N -0.58 4.38 -0.36 2.11 4.77 -0.78 -4.64 117.00 121.90 1ywb n LEU 130 Ca -0.04 -3.20 0.05 0.00 -0.03 0.00 0.00 56.01 52.79 1ywb n LEU 130 Cb 0.65 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1ywb n LEU 130 CO 0.40 0.81 -0.09 0.61 -1.33 0.00 0.00 177.39 177.79 1ywb n GLY 131 N -0.54 -1.81 3.64 -0.72 0.00 -1.26 -4.68 105.19 99.82 1ywb n GLY 131 Ca 0.27 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1ywb n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ywb s ASP 132 N -4.53 6.63 -0.23 1.61 1.01 -1.25 -4.43 116.67 115.47 1ywb s ASP 132 Ca 0.00 1.50 -0.01 0.00 0.71 0.00 0.00 52.55 54.75 1ywb s ASP 132 Cb 0.00 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1ywb s ASP 132 CO 0.00 -1.07 -0.09 -0.22 0.21 0.00 0.00 175.17 174.00 1ywb s LEU 133 N 4.45 2.95 -0.06 1.23 2.96 -0.56 -1.03 118.68 128.62 1ywb s LEU 133 Ca 0.62 -0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1ywb s LEU 133 Cb -0.21 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1ywb s LEU 133 CO 0.24 -0.09 0.14 -0.31 -1.32 0.00 0.00 176.35 175.01 1ywb s TYR 134 N 1.32 3.51 -0.02 5.38 2.02 0.28 -0.62 117.35 129.22 1ywb s TYR 134 Ca 0.01 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 1ywb s TYR 134 Cb -0.16 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1ywb s TYR 134 CO -0.06 0.66 0.01 0.00 -1.57 0.00 0.00 175.55 174.59 1ywb s ALA 135 N -1.15 0.16 -0.15 3.71 0.00 -0.29 -1.02 121.76 123.03 1ywb s ALA 135 Ca 0.20 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1ywb s ALA 135 Cb -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1ywb s ALA 135 CO 0.10 -0.06 0.56 0.08 0.00 0.00 0.00 175.76 176.44 1ywb s VAL 136 N 0.77 5.11 0.17 0.00 1.01 0.08 -1.15 120.40 126.38 1ywb s VAL 136 Ca -0.07 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1ywb s VAL 136 Cb -0.10 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ywb s VAL 136 CO -0.02 0.23 -0.07 -0.76 0.00 0.00 0.00 175.10 174.48 1ywb s LEU 137 N 1.20 3.09 0.02 3.92 1.43 0.39 -0.84 118.68 127.90 1ywb s LEU 137 Ca 0.28 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1ywb s LEU 137 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1ywb s LEU 137 CO 0.11 0.11 0.12 0.21 0.23 0.00 0.00 176.35 177.13 1ywb s ASN 138 N -2.77 0.11 0.48 2.29 3.84 -0.34 -1.89 114.94 116.66 1ywb s ASN 138 Ca 0.25 -0.39 0.27 0.00 0.21 0.00 0.00 52.86 53.20 1ywb s ASN 138 Cb -0.09 0.22 1.09 0.00 -0.55 0.00 0.00 41.25 41.91 1ywb s ASN 138 CO 0.16 -0.45 1.89 0.03 -2.79 0.00 0.00 177.10 175.94 1ywb h ARG 139 N 3.91 0.00 -4.99 0.43 2.47 -1.30 -0.47 114.38 114.43 1ywb h ARG 139 Ca -0.32 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.75 1ywb h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 1ywb h ARG 139 CO 0.46 0.16 -0.67 1.21 0.56 0.00 0.00 179.97 181.69 1ywb s ASN 140 N -6.06 4.73 0.59 7.04 3.84 -1.26 -4.82 114.94 118.99 1ywb s ASN 140 Ca 0.00 -0.29 0.39 0.00 0.21 0.00 0.00 52.86 53.18 1ywb s ASN 140 Cb 0.10 -1.83 2.00 0.00 -0.55 0.00 0.00 41.25 40.97 1ywb s ASN 140 CO 0.61 -0.02 2.19 0.07 -2.79 0.00 0.00 177.10 177.16 1ywb h LYS 141 N 8.10 0.00 -0.32 0.43 2.10 -1.95 -2.17 116.57 122.77 1ywb h LYS 141 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1ywb h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1ywb h LYS 141 CO 0.59 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.79 1ywb n ASP 142 N -2.97 3.13 -4.71 7.07 8.00 -1.26 -4.92 116.55 120.88 1ywb n ASP 142 Ca -0.02 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 1ywb n ASP 142 Cb 0.13 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1ywb n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ywb s ALA 143 N -1.32 3.41 0.46 2.24 0.00 -0.82 -5.01 121.76 120.73 1ywb s ALA 143 Ca 0.32 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1ywb s ALA 143 Cb 0.19 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1ywb s ALA 143 CO 0.26 -0.46 1.19 0.00 0.00 0.00 0.00 175.76 176.75 1ywb s ALA 144 N 1.09 3.00 0.13 0.00 0.00 -1.26 -4.94 121.76 119.78 1ywb s ALA 144 Ca 0.59 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.24 1ywb s ALA 144 Cb -0.30 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 1ywb s ALA 144 CO 0.29 -0.72 1.57 0.00 0.00 0.00 0.00 175.76 176.91 1ywb s ALA 145 N -1.48 3.73 0.83 0.00 0.00 -1.26 -4.98 121.76 118.59 1ywb s ALA 145 Ca 0.63 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 1ywb s ALA 145 Cb -0.31 -3.64 0.17 0.00 0.00 0.00 0.00 23.12 19.35 1ywb s ALA 145 CO 0.37 -0.87 1.11 0.41 0.00 0.00 0.00 175.76 176.78 1ywb n GLY 146 N 3.80 -0.07 0.18 0.00 0.00 -1.26 -4.87 105.19 102.97 1ywb n GLY 146 Ca 0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 1ywb n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ywb h ASP 147 N -0.98 0.13 0.18 1.61 5.19 -1.98 -1.30 116.42 119.28 1ywb h ASP 147 Ca -0.36 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1ywb h ASP 147 Cb 1.21 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1ywb h ASP 147 CO 0.34 0.55 -0.10 0.11 -3.12 0.00 0.00 179.24 177.02 1ywb h LYS 148 N 0.11 -0.25 -0.05 3.56 1.57 -1.99 -0.25 116.57 119.27 1ywb h LYS 148 Ca 0.01 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 1ywb h LYS 148 Cb 0.81 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ywb h LYS 148 CO 0.06 -0.17 -0.80 -0.24 -0.57 0.00 0.00 179.45 177.73 1ywb h VAL 149 N -0.26 1.40 -0.48 0.50 3.04 -1.93 -2.09 116.25 116.43 1ywb h VAL 149 Ca -0.02 -2.28 -0.07 0.00 -1.01 0.00 0.00 66.70 63.32 1ywb h VAL 149 Cb 0.21 2.23 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1ywb h VAL 149 CO 0.03 0.68 0.01 0.11 -1.01 0.00 0.00 177.57 177.39 1ywb h LYS 150 N 0.24 0.79 -0.67 4.17 1.57 -1.16 -0.70 116.57 120.81 1ywb h LYS 150 Ca -0.04 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1ywb h LYS 150 Cb 1.39 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1ywb h LYS 150 CO 0.13 0.79 0.21 0.77 -0.57 0.00 0.00 179.45 180.79 1ywb h SER 151 N 0.74 0.94 -0.57 0.86 0.02 -0.88 -1.50 113.55 113.16 1ywb h SER 151 Ca 0.15 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1ywb h SER 151 Cb 0.43 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1ywb h SER 151 CO 0.02 0.87 0.22 0.00 -1.14 0.00 0.00 176.83 176.80 1ywb h ALA 152 N 1.25 1.24 -0.29 3.77 0.00 -0.65 0.79 119.26 125.37 1ywb h ALA 152 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ywb h ALA 152 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ywb h ALA 152 CO -0.01 0.55 0.19 0.28 0.00 0.00 0.00 179.25 180.26 1ywb h VAL 153 N 0.88 1.07 -0.92 0.00 2.07 -0.63 -1.89 116.25 116.83 1ywb h VAL 153 Ca 0.21 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1ywb h VAL 153 Cb 0.20 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1ywb h VAL 153 CO -0.02 0.07 0.61 0.28 0.02 0.00 0.00 177.57 178.53 1ywb h SER 154 N 0.38 1.04 0.49 0.57 0.02 -0.62 -2.01 113.55 113.43 1ywb h SER 154 Ca 0.11 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1ywb h SER 154 Cb -0.04 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1ywb h SER 154 CO -0.03 0.75 -0.10 0.00 -1.14 0.00 0.00 176.83 176.31 1ywb h ALA 155 N 1.34 1.17 -0.06 3.77 0.00 -0.43 0.13 119.26 125.18 1ywb h ALA 155 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ywb h ALA 155 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ywb h ALA 155 CO -0.08 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ywb n ALA 156 N -2.22 2.58 -2.96 0.00 0.00 -0.75 -4.89 120.51 112.27 1ywb n ALA 156 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 1ywb n ALA 156 Cb 0.25 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1ywb n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ywb n THR 157 N -0.40 -1.78 -4.16 0.00 -1.04 0.45 -5.03 114.28 102.33 1ywb n THR 157 Ca 0.14 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.90 1ywb n THR 157 Cb 0.15 -3.13 -0.07 0.00 -1.82 0.00 0.00 70.33 65.46 1ywb n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ywb s LEU 158 N -5.67 3.08 -0.17 -4.42 1.43 -0.80 -5.03 118.68 107.09 1ywb s LEU 158 Ca 0.28 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1ywb s LEU 158 Cb -0.12 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1ywb s LEU 158 CO 0.35 -0.56 -0.13 -1.61 0.23 0.00 0.00 176.35 174.63 1ywb s GLU 159 N -3.91 2.20 0.46 1.70 0.41 -1.26 -3.72 118.70 114.59 1ywb s GLU 159 Ca 0.40 -0.70 0.11 0.00 -0.41 0.00 0.00 54.97 54.37 1ywb s GLU 159 Cb 0.04 -2.27 1.04 0.00 -1.78 0.00 0.00 34.13 31.17 1ywb s GLU 159 CO 0.22 -0.32 2.09 0.35 -0.49 0.00 0.00 175.26 177.11 1ywb h PHE 160 N 8.01 0.29 -0.09 1.61 3.57 -1.90 -1.34 116.94 127.10 1ywb h PHE 160 Ca -0.34 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.19 1ywb h PHE 160 Cb 1.12 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1ywb h PHE 160 CO 0.49 0.18 0.26 0.66 -2.23 0.00 0.00 178.31 177.67 1ywb h SER 161 N 0.31 0.00 0.61 0.41 4.64 -2.00 -1.15 113.55 116.37 1ywb h SER 161 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ywb h SER 161 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ywb h SER 161 CO -0.02 0.00 -0.69 0.29 -0.87 0.00 0.00 176.83 175.54 1ywb n LYS 162 N -3.20 0.18 -2.25 4.77 5.02 -0.50 -4.91 118.16 117.27 1ywb n LYS 162 Ca -0.00 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1ywb n LYS 162 Cb 0.34 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1ywb n LYS 162 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ywb s PHE 163 N -3.11 2.87 -0.18 2.13 0.40 -0.44 -4.92 117.98 114.74 1ywb s PHE 163 Ca 0.07 1.53 -0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1ywb s PHE 163 Cb 0.15 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1ywb s PHE 163 CO 0.74 -1.51 0.39 0.42 0.70 0.00 0.00 175.22 175.95 1ywb s ILE 164 N -1.54 5.22 0.42 0.64 1.01 0.59 -4.85 121.20 122.70 1ywb s ILE 164 Ca 0.64 0.71 -0.22 0.00 0.00 0.00 0.00 60.65 61.77 1ywb s ILE 164 Cb -0.29 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 1ywb s ILE 164 CO 0.35 0.29 0.97 -0.55 0.00 0.00 0.00 174.94 176.00 1ywb s SER 165 N 0.86 6.91 0.00 3.58 0.15 -1.26 -0.85 113.70 123.09 1ywb s SER 165 Ca 0.19 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.86 1ywb s SER 165 Cb -0.14 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.15 1ywb s SER 165 CO 0.07 -0.38 1.45 0.35 1.20 0.00 0.00 173.24 175.94 1ywb n THR 166 N -0.44 0.16 0.27 6.45 -2.24 -0.16 -4.64 114.28 113.68 1ywb n THR 166 Ca 0.06 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1ywb n THR 166 Cb 0.53 0.96 0.27 0.00 -2.10 0.00 0.00 70.33 69.99 1ywb n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ywb h LYS 167 N 3.70 0.00 -0.67 -0.78 2.10 -1.90 -3.12 116.57 115.90 1ywb h LYS 167 Ca 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 1ywb h LYS 167 Cb 0.80 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.99 1ywb h LYS 167 CO 0.00 0.00 0.25 0.39 -2.00 0.00 0.00 179.45 178.09 1ywb n GLU 168 N -3.00 3.21 -0.16 0.07 1.02 -1.26 -4.47 120.64 116.05 1ywb n GLU 168 Ca 0.04 -3.07 0.07 0.00 -0.02 0.00 0.00 57.16 54.18 1ywb n GLU 168 Cb 0.48 -2.12 0.16 0.00 -0.02 0.00 0.00 31.44 29.94 1ywb n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ywb n ASN 169 N -0.45 2.92 -2.47 1.62 3.02 -1.18 -4.97 115.26 113.74 1ywb n ASN 169 Ca 0.40 -1.88 -0.15 0.00 -0.03 0.00 0.00 54.58 52.92 1ywb n ASN 169 Cb 1.33 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 40.28 1ywb n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ywb n ASN 170 N 0.82 -4.35 -4.83 6.41 5.03 -1.26 -4.90 115.26 112.18 1ywb n ASN 170 Ca 0.13 0.13 -0.33 0.00 0.87 0.00 0.00 54.58 55.38 1ywb n ASN 170 Cb 0.45 -3.67 -0.07 0.00 -1.02 0.00 0.00 39.78 35.47 1ywb n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ywb s ALA 172 N -2.06 1.09 0.19 0.00 0.00 -1.26 -5.15 121.76 114.57 1ywb s ALA 172 Ca 0.58 -0.46 0.11 0.00 0.00 0.00 0.00 51.96 52.19 1ywb s ALA 172 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1ywb s ALA 172 CO 0.15 0.19 -0.20 0.71 0.00 0.00 0.00 175.76 176.61 1ywb s TYR 173 N 0.12 2.40 -0.83 0.00 2.02 -1.26 -5.07 117.35 114.73 1ywb s TYR 173 Ca -0.03 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 1ywb s TYR 173 Cb -0.09 -1.18 0.22 0.00 -0.40 0.00 0.00 41.96 40.50 1ywb s TYR 173 CO 0.01 0.50 0.74 0.34 -1.57 0.00 0.00 175.55 175.58 1ywb s ASP 174 N -2.71 6.40 0.36 2.29 -1.08 -1.26 -4.91 116.67 115.77 1ywb s ASP 174 Ca 0.22 -2.99 0.03 0.00 -0.52 0.00 0.00 52.55 49.30 1ywb s ASP 174 Cb -0.08 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.96 1ywb s ASP 174 CO 0.11 -0.44 2.01 0.78 0.52 0.00 0.00 175.17 178.16 1ywb h ASN 175 N 7.23 0.66 -0.55 -0.34 4.21 -2.00 -2.41 115.58 122.38 1ywb h ASN 175 Ca 0.10 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.54 1ywb h ASN 175 Cb 0.97 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.98 1ywb h ASN 175 CO 0.79 0.49 0.19 0.44 -1.29 0.00 0.00 177.43 178.06 1ywb h ASP 176 N 0.77 0.79 -0.49 5.81 3.32 -2.00 -1.42 116.42 123.20 1ywb h ASP 176 Ca 0.21 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1ywb h ASP 176 Cb -0.06 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1ywb h ASP 176 CO -0.04 0.77 0.20 -1.28 -1.72 0.00 0.00 179.24 177.16 1ywb h SER 177 N 0.76 0.67 -0.55 6.45 0.87 -1.77 -1.19 113.55 118.79 1ywb h SER 177 Ca 0.18 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1ywb h SER 177 Cb 0.25 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1ywb h SER 177 CO -0.01 0.65 0.35 -0.07 -0.53 0.00 0.00 176.83 177.22 1ywb h LEU 178 N 0.65 0.59 -0.44 2.23 3.38 -1.15 0.77 115.31 121.34 1ywb h LEU 178 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1ywb h LEU 178 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ywb h LEU 178 CO -0.01 0.42 0.15 0.11 0.09 0.00 0.00 178.44 179.19 1ywb h LYS 179 N 0.70 0.67 -0.23 1.13 1.57 -1.13 -2.98 116.57 116.30 1ywb h LYS 179 Ca 0.21 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1ywb h LYS 179 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1ywb h LYS 179 CO -0.07 0.64 -0.25 1.03 -0.57 0.00 0.00 179.45 180.23 1ywb h SER 180 N 0.57 0.44 0.16 0.86 0.87 -0.83 -2.78 113.55 112.84 1ywb h SER 180 Ca 0.14 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ywb h SER 180 Cb 0.24 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1ywb h SER 180 CO -0.01 0.70 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.90 1ywb h LEU 181 N 0.39 0.00 -2.07 2.23 3.38 -0.70 -1.91 115.31 116.64 1ywb h LEU 181 Ca 0.06 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1ywb h LEU 181 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ywb h LEU 181 CO 0.05 0.02 0.27 -0.07 0.09 0.00 0.00 178.44 178.80 1ywb h LEU 182 N 0.00 0.00 -0.42 1.67 3.38 -1.46 -1.27 115.31 117.20 1ywb h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywb h LEU 182 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ywb h LEU 182 CO 0.00 0.00 -0.15 0.35 0.09 0.00 0.00 178.44 178.73 1ywb n THR 183 N -4.15 0.00 0.90 0.22 -2.24 -0.72 -4.71 114.28 103.58 1ywb n THR 183 Ca 0.05 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1ywb n THR 183 Cb 0.44 0.17 0.09 0.00 -2.10 0.00 0.00 70.33 68.93 1ywb n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79