#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwv s GLN 2 N 0.00 4.34 0.22 -1.24 0.74 -1.26 -1.56 119.66 120.91 1xwv s GLN 2 Ca 0.00 2.03 0.10 0.00 0.05 0.00 0.00 55.36 57.53 1xwv s GLN 2 Cb 0.00 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 1xwv s GLN 2 CO 0.00 -0.13 -0.18 0.14 -0.55 0.00 0.00 175.29 174.57 1xwv s VAL 3 N -1.21 2.09 -0.04 1.34 -7.23 -0.53 -0.39 120.40 114.42 1xwv s VAL 3 Ca 0.50 -2.19 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1xwv s VAL 3 Cb -0.36 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1xwv s VAL 3 CO 0.47 -0.40 0.58 -1.81 -0.31 0.00 0.00 175.10 173.63 1xwv s ASP 4 N -3.15 6.91 0.12 4.85 1.01 0.78 -4.63 116.67 122.57 1xwv s ASP 4 Ca 0.23 1.09 -0.00 0.00 0.71 0.00 0.00 52.55 54.58 1xwv s ASP 4 Cb -0.04 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1xwv s ASP 4 CO 0.10 0.05 0.01 0.68 0.21 0.00 0.00 175.17 176.22 1xwv s VAL 5 N 0.13 0.32 -0.22 -1.27 -7.23 -1.26 -4.73 120.40 106.14 1xwv s VAL 5 Ca 0.31 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1xwv s VAL 5 Cb -0.17 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1xwv s VAL 5 CO 0.16 -0.61 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.79 1xwv s LYS 6 N -3.97 3.49 0.19 4.82 -0.14 0.42 -4.92 119.74 119.63 1xwv s LYS 6 Ca 0.20 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 1xwv s LYS 6 Cb 0.07 -3.10 -0.08 0.00 -1.68 0.00 0.00 37.83 33.04 1xwv s LYS 6 CO -0.01 -0.15 1.20 0.34 -0.76 0.00 0.00 175.35 175.97 1xwv s ASP 7 N 1.42 7.07 -0.27 2.83 -1.08 -1.26 -0.12 116.67 125.27 1xwv s ASP 7 Ca 0.05 2.25 0.09 0.00 -0.52 0.00 0.00 52.55 54.42 1xwv s ASP 7 Cb -0.15 -2.61 0.45 0.00 -1.46 0.00 0.00 42.92 39.16 1xwv s ASP 7 CO -0.00 -0.38 1.27 0.00 0.52 0.00 0.00 175.17 176.58 1xwv n ALA 9 N -0.96 0.00 0.11 0.00 0.00 -1.26 -4.84 120.51 113.55 1xwv n ALA 9 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 1xwv n ALA 9 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.27 1xwv n ALA 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xwv h ASN 10 N 0.00 -0.32 0.00 0.00 2.35 -1.93 -3.47 115.58 112.21 1xwv h ASN 10 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1xwv h ASN 10 Cb 0.00 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xwv h ASN 10 CO 0.00 -0.19 0.00 0.59 -1.65 0.00 0.00 177.43 176.18 1xwv n ASN 11 N -2.98 -0.13 0.18 5.81 5.03 -1.26 -4.94 115.26 116.97 1xwv n ASN 11 Ca -0.04 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.44 1xwv n ASN 11 Cb 0.13 -0.03 0.33 0.00 -1.02 0.00 0.00 39.78 39.18 1xwv n ASN 11 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1xwv h GLU 12 N 0.00 0.00 -6.35 3.52 4.81 -1.89 -3.40 114.58 111.27 1xwv h GLU 12 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1xwv h GLU 12 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1xwv h GLU 12 CO 0.00 0.42 0.53 0.42 -0.73 0.00 0.00 179.01 179.65 1xwv s ILE 13 N -3.92 4.58 -0.06 2.32 -1.09 -1.26 -1.00 121.20 120.76 1xwv s ILE 13 Ca -0.02 1.86 0.11 0.00 -2.23 0.00 0.00 60.65 60.38 1xwv s ILE 13 Cb 0.13 -4.20 -0.17 0.00 -1.58 0.00 0.00 42.46 36.65 1xwv s ILE 13 CO 0.72 0.07 0.16 0.29 -1.23 0.00 0.00 174.94 174.95 1xwv n LYS 14 N 4.54 1.20 -3.63 2.79 4.76 0.16 -4.97 118.16 123.00 1xwv n LYS 14 Ca 0.08 -0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 1xwv n LYS 14 Cb 0.49 -1.29 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 1xwv n LYS 14 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xwv s LYS 15 N -2.59 0.55 -0.04 1.97 2.20 -1.03 -4.98 119.74 115.83 1xwv s LYS 15 Ca -0.05 0.64 0.03 0.00 -0.36 0.00 0.00 55.97 56.22 1xwv s LYS 15 Cb 0.06 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.65 1xwv s LYS 15 CO 0.49 -0.07 -0.11 0.08 -0.36 0.00 0.00 175.35 175.39 1xwv s VAL 16 N 0.21 0.95 0.04 4.02 1.01 -1.26 -0.10 120.40 125.27 1xwv s VAL 16 Ca 0.03 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1xwv s VAL 16 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1xwv s VAL 16 CO -0.05 0.30 -0.16 -0.04 0.00 0.00 0.00 175.10 175.15 1xwv s MET 17 N 0.37 1.04 -0.06 2.72 -1.94 -0.58 -1.45 119.30 119.39 1xwv s MET 17 Ca -0.07 -0.81 -0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1xwv s MET 17 Cb -0.12 -1.08 0.03 0.00 2.01 0.00 0.00 34.83 35.67 1xwv s MET 17 CO 0.02 0.27 -0.02 0.08 -0.01 0.00 0.00 175.02 175.35 1xwv s VAL 18 N -0.85 0.47 -0.04 -6.03 1.01 -0.60 -1.07 120.40 113.29 1xwv s VAL 18 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.69 1xwv s VAL 18 Cb -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 1xwv s VAL 18 CO 0.01 0.25 1.94 0.47 0.00 0.00 0.00 175.10 177.78 1xwv n ASP 19 N 4.68 3.78 0.00 3.32 9.92 -0.75 -1.53 116.55 135.96 1xwv n ASP 19 Ca -0.15 0.91 0.00 0.00 -0.53 0.00 0.00 54.79 55.02 1xwv n ASP 19 Cb 0.50 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1xwv n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xwv n GLY 20 N 4.55 0.72 3.57 0.44 0.00 -1.26 -4.78 105.19 108.43 1xwv n GLY 20 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1xwv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwv s HIS 22 N -2.58 -0.87 0.00 0.00 2.46 -1.26 -1.61 115.29 111.43 1xwv s HIS 22 Ca 0.33 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.61 1xwv s HIS 22 Cb 0.02 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 1xwv s HIS 22 CO 0.17 -0.45 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 1xwv n GLY 23 N 4.40 2.90 1.20 1.59 0.00 0.47 -1.04 105.19 114.72 1xwv n GLY 23 Ca -0.21 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1xwv n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xwv n SER 24 N 4.25 3.72 -4.76 1.61 2.88 -1.26 -0.15 113.62 119.91 1xwv n SER 24 Ca 0.00 -2.00 -0.34 0.00 -1.33 0.00 0.00 58.87 55.21 1xwv n SER 24 Cb 0.00 -0.42 0.05 0.00 -0.75 0.00 0.00 64.21 63.09 1xwv n SER 24 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xwv s ASP 25 N -1.03 4.98 0.24 -3.46 1.01 -0.20 -4.93 116.67 113.28 1xwv s ASP 25 Ca 0.43 2.10 -0.31 0.00 0.71 0.00 0.00 52.55 55.48 1xwv s ASP 25 Cb 0.23 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.47 1xwv s ASP 25 CO 0.30 -1.72 1.62 -2.65 0.21 0.00 0.00 175.17 172.93 1xwv n PRO 26 N -2.34 2.59 -3.52 8.23 -0.02 -1.26 -4.71 135.00 133.98 1xwv n PRO 26 Ca 0.11 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.10 1xwv n PRO 26 Cb 0.51 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 1xwv n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwv s ILE 28 N 1.48 4.52 -0.36 0.00 -1.09 -1.26 -1.67 121.20 122.82 1xwv s ILE 28 Ca 0.04 1.83 -0.10 0.00 -2.23 0.00 0.00 60.65 60.19 1xwv s ILE 28 Cb -0.25 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1xwv s ILE 28 CO 0.03 -0.13 0.18 -0.63 -1.23 0.00 0.00 174.94 173.16 1xwv s ILE 29 N 3.07 4.36 -0.27 2.92 1.01 0.54 -4.95 121.20 127.88 1xwv s ILE 29 Ca 0.49 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 1xwv s ILE 29 Cb -0.18 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1xwv s ILE 29 CO 0.12 -0.21 0.64 -1.00 0.00 0.00 0.00 174.94 174.49 1xwv s HIS 30 N 1.52 3.25 0.27 3.97 3.76 -1.26 -1.67 115.29 125.13 1xwv s HIS 30 Ca 0.01 0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 55.37 1xwv s HIS 30 Cb -0.19 -2.92 -0.10 0.00 1.11 0.00 0.00 32.58 30.49 1xwv s HIS 30 CO 0.06 -0.39 1.28 -0.98 -0.85 0.00 0.00 174.74 173.85 1xwv s ARG 31 N 2.57 4.41 0.00 1.40 1.70 -0.47 -2.16 118.95 126.40 1xwv s ARG 31 Ca 0.26 2.09 0.00 0.00 -0.47 0.00 0.00 55.73 57.61 1xwv s ARG 31 Cb -0.15 -3.14 0.00 0.00 -0.57 0.00 0.00 34.95 31.09 1xwv s ARG 31 CO 0.10 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 1xwv n GLY 32 N 1.48 0.51 3.59 3.88 0.00 0.36 -4.74 105.19 110.27 1xwv n GLY 32 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1xwv n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwv s LYS 33 N -0.91 2.11 0.44 1.61 -0.14 -0.92 -4.86 119.74 117.08 1xwv s LYS 33 Ca 0.00 -1.48 -0.22 0.00 -1.36 0.00 0.00 55.97 52.91 1xwv s LYS 33 Cb 0.00 -2.07 -0.09 0.00 -1.68 0.00 0.00 37.83 33.99 1xwv s LYS 33 CO 0.00 0.37 1.02 -1.25 -0.76 0.00 0.00 175.35 174.72 1xwv s PRO 34 N -3.50 4.04 -0.15 -1.68 0.04 -1.26 -1.98 135.00 130.50 1xwv s PRO 34 Ca 0.30 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1xwv s PRO 34 Cb -0.06 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1xwv s PRO 34 CO 0.18 -0.23 -0.18 0.12 0.04 0.00 0.00 177.00 176.94 1xwv s PHE 35 N -1.92 2.75 -0.16 0.56 5.36 0.20 -4.89 117.98 119.88 1xwv s PHE 35 Ca 0.63 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 1xwv s PHE 35 Cb -0.16 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1xwv s PHE 35 CO 0.21 -0.55 -0.15 0.99 -1.46 0.00 0.00 175.22 174.26 1xwv s THR 36 N 0.87 2.72 0.05 0.12 2.01 -1.26 -0.49 115.64 119.67 1xwv s THR 36 Ca -0.05 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1xwv s THR 36 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1xwv s THR 36 CO -0.02 0.51 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.00 1xwv s LEU 37 N 0.80 2.19 -0.04 4.42 0.20 0.66 -1.81 118.68 125.11 1xwv s LEU 37 Ca -0.05 -0.55 0.02 0.00 0.69 0.00 0.00 54.13 54.24 1xwv s LEU 37 Cb -0.15 -0.92 0.01 0.00 -0.43 0.00 0.00 46.19 44.70 1xwv s LEU 37 CO 0.00 0.13 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.41 1xwv s GLU 38 N -1.31 1.04 -0.05 1.98 2.12 -0.23 0.13 118.70 122.37 1xwv s GLU 38 Ca 0.07 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.17 1xwv s GLU 38 Cb -0.09 -0.96 0.01 0.00 0.26 0.00 0.00 34.13 33.35 1xwv s GLU 38 CO 0.02 0.03 -0.11 0.00 -0.54 0.00 0.00 175.26 174.67 1xwv s ALA 39 N 0.51 1.07 -0.25 6.30 0.00 0.21 -1.52 121.76 128.08 1xwv s ALA 39 Ca -0.08 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 1xwv s ALA 39 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1xwv s ALA 39 CO 0.01 0.12 0.15 -1.17 0.00 0.00 0.00 175.76 174.88 1xwv s LEU 40 N 0.48 4.00 -0.00 0.00 2.96 0.86 -1.31 118.68 125.66 1xwv s LEU 40 Ca -0.09 0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.63 1xwv s LEU 40 Cb -0.13 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.53 1xwv s LEU 40 CO 0.02 0.03 0.51 0.72 -1.32 0.00 0.00 176.35 176.31 1xwv s PHE 41 N 1.30 -0.43 0.00 5.38 -0.12 -0.98 0.36 117.98 123.49 1xwv s PHE 41 Ca 0.07 0.63 -0.15 0.00 -0.05 0.00 0.00 56.93 57.43 1xwv s PHE 41 Cb -0.14 0.29 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 1xwv s PHE 41 CO 0.06 -0.56 0.42 -0.51 -0.05 0.00 0.00 175.22 174.58 1xwv s ASP 42 N -1.53 6.82 -0.16 1.98 1.01 -0.17 -2.19 116.67 122.43 1xwv s ASP 42 Ca -0.09 0.98 -0.17 0.00 0.71 0.00 0.00 52.55 53.97 1xwv s ASP 42 Cb -0.02 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1xwv s ASP 42 CO 0.04 0.32 0.45 0.00 0.21 0.00 0.00 175.17 176.19 1xwv s ALA 43 N -1.05 3.52 -1.07 5.23 0.00 -0.90 -4.83 121.76 122.65 1xwv s ALA 43 Ca 0.24 -0.34 0.28 0.00 0.00 0.00 0.00 51.96 52.14 1xwv s ALA 43 Cb -0.17 -2.66 1.06 0.00 0.00 0.00 0.00 23.12 21.35 1xwv s ALA 43 CO 0.14 -0.16 1.80 0.27 0.00 0.00 0.00 175.76 177.80 1xwv n ASN 44 N 4.11 0.17 -3.55 0.00 0.23 -1.26 -0.79 115.26 114.17 1xwv n ASN 44 Ca -0.07 0.19 -0.13 0.00 -0.53 0.00 0.00 54.58 54.04 1xwv n ASN 44 Cb 0.51 -0.26 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 1xwv n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xwv s GLN 45 N -2.94 1.10 -0.02 -3.83 -2.07 -1.26 -4.93 119.66 105.71 1xwv s GLN 45 Ca 0.15 -0.39 -0.25 0.00 -1.82 0.00 0.00 55.36 53.06 1xwv s GLN 45 Cb 0.19 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.57 1xwv s GLN 45 CO 0.57 -0.43 0.75 -0.80 -1.32 0.00 0.00 175.29 174.06 1xwv s ASN 46 N -2.33 7.10 -0.06 12.60 -0.87 -1.26 -3.31 114.94 126.81 1xwv s ASN 46 Ca -0.02 1.32 -0.19 0.00 -1.57 0.00 0.00 52.86 52.41 1xwv s ASN 46 Cb -0.00 -2.45 0.04 0.00 -0.02 0.00 0.00 41.25 38.82 1xwv s ASN 46 CO -0.07 -0.09 0.43 0.28 -2.57 0.00 0.00 177.10 175.08 1xwv s THR 47 N 0.56 0.03 -0.31 1.60 -1.32 -0.90 -4.70 115.64 110.60 1xwv s THR 47 Ca 0.40 -0.25 0.22 0.00 -1.21 0.00 0.00 61.69 60.85 1xwv s THR 47 Cb -0.19 -0.71 0.14 0.00 -1.51 0.00 0.00 72.50 70.23 1xwv s THR 47 CO 0.21 -0.14 1.28 0.11 -2.21 0.00 0.00 174.62 173.87 1xwv h LYS 48 N 4.05 0.00 -5.15 7.08 1.57 -1.88 -1.72 116.57 120.52 1xwv h LYS 48 Ca -0.28 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.85 1xwv h LYS 48 Cb 1.17 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 1xwv h LYS 48 CO 0.35 0.03 -0.51 0.95 -0.57 0.00 0.00 179.45 179.70 1xwv s THR 49 N -3.27 0.98 -0.33 -0.16 -4.23 -1.26 -4.53 115.64 102.83 1xwv s THR 49 Ca 0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1xwv s THR 49 Cb 0.08 -2.21 0.20 0.00 1.34 0.00 0.00 72.50 71.90 1xwv s THR 49 CO 0.74 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.89 1xwv s ALA 50 N -2.98 -4.50 0.62 3.99 0.00 -1.24 -4.26 121.76 113.39 1xwv s ALA 50 Ca 0.11 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 1xwv s ALA 50 Cb 0.02 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1xwv s ALA 50 CO 0.07 -2.51 0.90 -1.59 0.00 0.00 0.00 175.76 172.62 1xwv s LYS 51 N 1.65 2.55 -0.38 0.00 -2.85 0.16 -3.18 119.74 117.69 1xwv s LYS 51 Ca 0.17 -0.33 -0.03 0.00 -1.00 0.00 0.00 55.97 54.79 1xwv s LYS 51 Cb 0.06 -2.30 0.09 0.00 -2.06 0.00 0.00 37.83 33.62 1xwv s LYS 51 CO -0.14 -0.89 0.15 0.42 0.10 0.00 0.00 175.35 175.00 1xwv s ILE 52 N -3.01 3.22 -0.48 3.79 1.01 0.22 -1.97 121.20 123.99 1xwv s ILE 52 Ca 0.57 -1.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.10 1xwv s ILE 52 Cb -0.11 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1xwv s ILE 52 CO 0.43 -0.55 0.82 -0.70 0.00 0.00 0.00 174.94 174.94 1xwv s GLU 53 N 1.17 3.38 -0.10 2.79 2.12 -0.89 -4.75 118.70 122.42 1xwv s GLU 53 Ca 0.05 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.26 1xwv s GLU 53 Cb -0.22 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1xwv s GLU 53 CO -0.03 -1.22 -0.23 0.42 -0.54 0.00 0.00 175.26 173.66 1xwv s ILE 54 N 3.45 2.01 -0.21 -3.70 1.01 -1.26 -1.82 121.20 120.67 1xwv s ILE 54 Ca 0.30 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1xwv s ILE 54 Cb -0.12 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.64 1xwv s ILE 54 CO 0.22 0.55 -0.16 -0.54 0.00 0.00 0.00 174.94 175.01 1xwv s LYS 55 N 0.36 2.76 -0.13 2.79 1.02 -0.76 -4.80 119.74 120.99 1xwv s LYS 55 Ca -0.19 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 54.83 1xwv s LYS 55 Cb -0.18 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1xwv s LYS 55 CO 0.09 -0.33 -0.18 0.00 -0.92 0.00 0.00 175.35 174.00 1xwv s ALA 56 N 1.24 2.41 -0.25 5.17 0.00 -1.24 -1.03 121.76 128.06 1xwv s ALA 56 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1xwv s ALA 56 Cb -0.15 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1xwv s ALA 56 CO -0.10 0.14 -0.05 0.45 0.00 0.00 0.00 175.76 176.20 1xwv s SER 57 N 0.54 4.33 -0.30 0.00 0.15 -0.05 1.00 113.70 119.37 1xwv s SER 57 Ca -0.11 -0.80 -0.07 0.00 0.70 0.00 0.00 55.95 55.67 1xwv s SER 57 Cb -0.16 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1xwv s SER 57 CO 0.04 -0.12 0.09 -0.76 1.20 0.00 0.00 173.24 173.70 1xwv s LEU 58 N 1.35 3.93 -1.44 3.45 1.43 -0.03 -1.80 118.68 125.58 1xwv s LEU 58 Ca 0.01 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1xwv s LEU 58 Cb -0.16 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1xwv s LEU 58 CO -0.04 -0.21 0.91 0.47 0.23 0.00 0.00 176.35 177.71 1xwv n ASP 59 N 4.88 -3.71 0.00 2.29 9.92 -0.49 -2.01 116.55 127.42 1xwv n ASP 59 Ca -0.14 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1xwv n ASP 59 Cb 0.48 -4.08 0.00 0.00 -0.64 0.00 0.00 41.12 36.88 1xwv n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xwv n GLY 60 N -1.68 2.30 3.57 0.44 0.00 -1.26 -5.02 105.19 103.54 1xwv n GLY 60 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1xwv n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwv s LEU 61 N 0.00 3.64 0.05 0.99 1.43 -0.85 -5.04 118.68 118.89 1xwv s LEU 61 Ca 0.00 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1xwv s LEU 61 Cb 0.00 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1xwv s LEU 61 CO 0.00 0.13 1.32 -1.61 0.23 0.00 0.00 176.35 176.42 1xwv s GLU 62 N 0.61 4.35 0.17 1.70 2.02 -1.26 -0.85 118.70 125.44 1xwv s GLU 62 Ca 0.02 1.91 0.11 0.00 0.02 0.00 0.00 54.97 57.03 1xwv s GLU 62 Cb -0.13 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1xwv s GLU 62 CO 0.02 -0.42 -0.23 0.42 0.02 0.00 0.00 175.26 175.06 1xwv s ILE 63 N 1.60 2.43 0.25 -1.63 -1.09 0.28 -4.95 121.20 118.08 1xwv s ILE 63 Ca 0.62 -1.91 -0.27 0.00 -2.23 0.00 0.00 60.65 56.86 1xwv s ILE 63 Cb -0.32 -2.15 -0.09 0.00 -1.58 0.00 0.00 42.46 38.33 1xwv s ILE 63 CO 0.28 -0.06 0.89 -1.81 -1.23 0.00 0.00 174.94 173.01 1xwv s ASP 64 N -2.51 7.47 -0.29 3.58 1.01 -1.26 -3.73 116.67 120.94 1xwv s ASP 64 Ca 0.19 1.82 -0.24 0.00 0.71 0.00 0.00 52.55 55.03 1xwv s ASP 64 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1xwv s ASP 64 CO 0.09 0.10 0.83 0.68 0.21 0.00 0.00 175.17 177.08 1xwv s VAL 65 N -1.32 4.78 0.28 -1.27 -7.23 -1.26 -5.02 120.40 109.36 1xwv s VAL 65 Ca 0.43 1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 61.67 1xwv s VAL 65 Cb -0.23 -4.16 -0.09 0.00 0.56 0.00 0.00 36.38 32.46 1xwv s VAL 65 CO 0.28 -0.21 1.02 -2.16 -0.31 0.00 0.00 175.10 173.71 1xwv s PRO 66 N 2.98 4.68 -1.69 4.82 0.04 -1.26 -3.91 135.00 140.66 1xwv s PRO 66 Ca 0.34 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1xwv s PRO 66 Cb -0.14 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1xwv s PRO 66 CO 0.11 0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.87 1xwv n GLY 67 N 1.18 1.57 3.89 0.56 0.00 -1.26 -4.48 105.19 106.65 1xwv n GLY 67 Ca -0.01 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1xwv n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xwv s ILE 68 N -2.50 5.27 -0.36 -0.61 2.07 -1.25 -4.51 121.20 119.31 1xwv s ILE 68 Ca 0.00 -0.34 -0.08 0.00 -1.41 0.00 0.00 60.65 58.83 1xwv s ILE 68 Cb 0.00 -3.51 0.05 0.00 0.13 0.00 0.00 42.46 39.13 1xwv s ILE 68 CO 0.00 0.23 0.16 -0.62 -1.91 0.00 0.00 174.94 172.80 1xwv s ASP 69 N -2.21 5.45 0.00 4.50 -1.08 -1.26 -4.97 116.67 117.11 1xwv s ASP 69 Ca 0.30 -1.21 0.07 0.00 -0.52 0.00 0.00 52.55 51.19 1xwv s ASP 69 Cb -0.13 -1.92 0.39 0.00 -1.46 0.00 0.00 42.92 39.80 1xwv s ASP 69 CO 0.23 -0.38 1.05 1.07 0.52 0.00 0.00 175.17 177.65 1xwv n THR 70 N 4.86 0.00 -3.20 1.71 5.66 -1.26 -4.62 114.28 117.42 1xwv n THR 70 Ca -0.12 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.43 1xwv n THR 70 Cb 0.44 -0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 1xwv n THR 70 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1xwv s ASN 71 N -1.43 6.26 0.47 1.09 3.84 -1.26 -0.61 114.94 123.30 1xwv s ASN 71 Ca 0.10 -1.73 0.13 0.00 0.21 0.00 0.00 52.86 51.57 1xwv s ASN 71 Cb 0.04 -2.26 1.09 0.00 -0.55 0.00 0.00 41.25 39.58 1xwv s ASN 71 CO 0.08 -0.96 2.09 0.00 -2.79 0.00 0.00 177.10 175.51 1xwv h ALA 72 N 8.92 1.85 0.00 1.71 0.00 -1.80 -0.76 119.26 129.18 1xwv h ALA 72 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xwv h ALA 72 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xwv h ALA 72 CO 1.04 0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.42 1xwv n HIS 74 N -1.54 0.01 -0.10 0.00 8.25 -0.29 -3.85 115.22 117.70 1xwv n HIS 74 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xwv n HIS 74 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1xwv n HIS 74 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xwv n PHE 75 N -0.28 0.00 -4.21 4.41 3.01 0.98 -5.08 117.46 116.29 1xwv n PHE 75 Ca 0.20 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.52 1xwv n PHE 75 Cb 0.25 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.63 1xwv n PHE 75 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xwv s MET 76 N -0.45 1.41 -0.41 -1.08 -1.94 -1.06 -4.56 119.30 111.20 1xwv s MET 76 Ca 0.00 -1.73 -0.18 0.00 -1.71 0.00 0.00 55.69 52.07 1xwv s MET 76 Cb 0.00 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.16 1xwv s MET 76 CO 0.00 -0.49 0.51 0.21 -0.01 0.00 0.00 175.02 175.24 1xwv s LYS 77 N -3.90 3.28 0.43 2.03 2.20 -1.26 -4.65 119.74 117.87 1xwv s LYS 77 Ca 0.38 -0.50 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1xwv s LYS 77 Cb 0.05 -3.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1xwv s LYS 77 CO 0.17 -0.84 0.59 0.00 -0.36 0.00 0.00 175.35 174.90 1xwv n PRO 79 N -1.90 0.00 0.00 0.00 -0.02 -1.26 -5.10 135.00 126.72 1xwv n PRO 79 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1xwv n PRO 79 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1xwv n PRO 79 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xwv n LEU 80 N 0.00 0.00 -4.27 2.45 4.77 -0.65 -4.74 117.00 114.56 1xwv n LEU 80 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1xwv n LEU 80 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1xwv n LEU 80 CO 0.00 0.00 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.96 1xwv s VAL 81 N -0.88 3.12 -0.64 4.08 1.01 -1.26 -2.11 120.40 123.72 1xwv s VAL 81 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1xwv s VAL 81 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.82 1xwv s VAL 81 CO 0.00 0.44 1.76 1.17 0.00 0.00 0.00 175.10 178.48 1xwv n LYS 82 N 4.76 0.11 0.00 2.72 4.81 -1.21 -1.20 118.16 128.15 1xwv n LYS 82 Ca -0.19 -0.69 0.00 0.00 -0.87 0.00 0.00 58.31 56.56 1xwv n LYS 82 Cb 0.51 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1xwv n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xwv n GLY 83 N 5.54 0.84 3.80 3.14 0.00 0.03 -4.85 105.19 113.70 1xwv n GLY 83 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1xwv n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xwv s GLN 84 N 0.00 3.93 -0.22 1.61 2.00 -0.34 -4.65 119.66 121.98 1xwv s GLN 84 Ca 0.00 1.33 -0.07 0.00 -2.00 0.00 0.00 55.36 54.61 1xwv s GLN 84 Cb 0.00 -2.16 -0.03 0.00 0.80 0.00 0.00 33.01 31.62 1xwv s GLN 84 CO 0.00 -0.32 0.07 -1.14 -0.50 0.00 0.00 175.29 173.40 1xwv s GLN 85 N -3.14 3.80 -0.02 1.67 0.74 -1.26 -2.13 119.66 119.32 1xwv s GLN 85 Ca 0.65 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.67 1xwv s GLN 85 Cb -0.15 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1xwv s GLN 85 CO 0.19 0.03 -0.07 0.71 -0.55 0.00 0.00 175.29 175.60 1xwv s TYR 86 N 1.04 2.90 -0.70 1.67 1.51 -0.93 -4.98 117.35 117.87 1xwv s TYR 86 Ca 0.04 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1xwv s TYR 86 Cb -0.14 -1.64 0.17 0.00 -0.11 0.00 0.00 41.96 40.24 1xwv s TYR 86 CO 0.03 0.35 0.52 0.34 -1.11 0.00 0.00 175.55 175.68 1xwv s ASP 87 N -1.19 5.27 -0.07 2.29 -1.08 -1.26 -2.31 116.67 118.32 1xwv s ASP 87 Ca 0.15 -3.24 -0.30 0.00 -0.52 0.00 0.00 52.55 48.64 1xwv s ASP 87 Cb -0.11 -1.82 -0.02 0.00 -1.46 0.00 0.00 42.92 39.51 1xwv s ASP 87 CO 0.05 -0.26 1.07 0.00 0.52 0.00 0.00 175.17 176.54 1xwv s ALA 88 N -0.63 3.40 -0.21 3.66 0.00 -0.43 -4.87 121.76 122.68 1xwv s ALA 88 Ca 0.21 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1xwv s ALA 88 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1xwv s ALA 88 CO -0.07 -0.60 -0.01 0.15 0.00 0.00 0.00 175.76 175.23 1xwv s LYS 89 N 1.91 3.52 -0.01 0.00 1.02 -1.26 0.67 119.74 125.59 1xwv s LYS 89 Ca 0.51 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.99 1xwv s LYS 89 Cb -0.21 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1xwv s LYS 89 CO 0.21 -0.10 -0.14 -0.47 -0.92 0.00 0.00 175.35 173.93 1xwv s TYR 90 N 1.28 1.24 -0.09 3.18 5.04 0.34 -4.83 117.35 123.52 1xwv s TYR 90 Ca 0.04 -0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 1xwv s TYR 90 Cb -0.15 -0.79 0.01 0.00 0.35 0.00 0.00 41.96 41.38 1xwv s TYR 90 CO 0.00 -0.02 -0.14 0.99 -1.34 0.00 0.00 175.55 175.04 1xwv s THR 91 N -0.35 1.33 -0.17 4.34 2.01 -1.26 -0.25 115.64 121.30 1xwv s THR 91 Ca 0.05 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1xwv s THR 91 Cb -0.05 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1xwv s THR 91 CO -0.00 0.40 -0.19 0.86 -0.69 0.00 0.00 174.62 175.00 1xwv s TRP 92 N 0.81 2.75 -0.72 4.92 -0.00 0.36 -4.93 118.94 122.13 1xwv s TRP 92 Ca -0.11 -1.46 -0.22 0.00 -0.00 0.00 0.00 56.10 54.31 1xwv s TRP 92 Cb -0.16 -1.89 0.08 0.00 -0.00 0.00 0.00 33.47 31.50 1xwv s TRP 92 CO 0.02 -0.70 1.02 1.21 -0.00 0.00 0.00 176.95 178.50 1xwv s ASN 93 N 1.10 6.26 -0.02 5.86 2.47 -1.26 0.59 114.94 129.95 1xwv s ASN 93 Ca 0.00 -1.18 -0.30 0.00 0.42 0.00 0.00 52.86 51.81 1xwv s ASN 93 Cb -0.14 -2.42 -0.08 0.00 -1.45 0.00 0.00 41.25 37.16 1xwv s ASN 93 CO -0.08 -1.39 1.93 -0.69 -3.72 0.00 0.00 177.10 173.15 1xwv s VAL 94 N 3.90 3.14 0.56 -5.21 1.01 -0.84 -4.83 120.40 118.15 1xwv s VAL 94 Ca 0.25 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 1xwv s VAL 94 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1xwv s VAL 94 CO 0.06 -0.02 1.35 -2.84 0.00 0.00 0.00 175.10 173.65 1xwv s PRO 95 N 4.60 3.04 0.33 2.72 0.02 -1.26 0.13 135.00 144.58 1xwv s PRO 95 Ca 0.86 2.22 0.26 0.00 0.02 0.00 0.00 61.00 64.36 1xwv s PRO 95 Cb -0.39 -2.19 1.10 0.00 0.02 0.00 0.00 34.50 33.03 1xwv s PRO 95 CO 0.38 -1.26 1.77 0.87 -0.33 0.00 0.00 177.00 178.43 1xwv h LYS 96 N 1.30 0.00 -0.65 5.54 1.57 -1.92 -2.44 116.57 119.97 1xwv h LYS 96 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1xwv h LYS 96 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xwv h LYS 96 CO 0.57 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.89 1xwv n ILE 97 N -2.42 1.78 -2.20 1.86 -6.64 -1.26 -4.84 119.36 105.64 1xwv n ILE 97 Ca 0.01 -1.12 -0.42 0.00 -1.77 0.00 0.00 62.75 59.46 1xwv n ILE 97 Cb 0.23 0.07 -0.03 0.00 -1.44 0.00 0.00 39.64 38.47 1xwv n ILE 97 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xwv s ALA 98 N -1.88 3.55 0.33 -1.28 0.00 -0.92 -4.93 121.76 116.63 1xwv s ALA 98 Ca 0.49 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1xwv s ALA 98 Cb 0.32 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 1xwv s ALA 98 CO 0.23 -0.57 1.53 -2.30 0.00 0.00 0.00 175.76 174.65 1xwv n PRO 99 N 3.21 2.66 -2.65 0.00 -0.02 -1.26 -4.96 135.00 131.98 1xwv n PRO 99 Ca 0.08 0.94 -0.36 0.00 -2.02 0.00 0.00 63.50 62.14 1xwv n PRO 99 Cb 0.43 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.17 1xwv n PRO 99 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xwv s LYS 100 N -1.31 4.28 -0.22 -0.52 1.02 -1.26 -4.79 119.74 116.94 1xwv s LYS 100 Ca 0.59 1.41 -0.27 0.00 0.02 0.00 0.00 55.97 57.71 1xwv s LYS 100 Cb -0.49 -2.56 0.11 0.00 -0.52 0.00 0.00 37.83 34.37 1xwv s LYS 100 CO 0.56 -0.01 0.91 0.45 -0.92 0.00 0.00 175.35 176.34 1xwv s SER 101 N -1.67 -0.52 0.00 2.83 0.15 -0.60 -4.95 113.70 108.94 1xwv s SER 101 Ca 0.56 0.84 0.15 0.00 0.70 0.00 0.00 55.95 58.21 1xwv s SER 101 Cb -0.19 0.80 0.30 0.00 -1.71 0.00 0.00 66.02 65.21 1xwv s SER 101 CO 0.24 -0.28 1.20 -0.62 1.20 0.00 0.00 173.24 174.98 1xwv n GLU 102 N 1.74 2.12 -3.54 5.44 -0.58 -1.26 -1.03 120.64 123.53 1xwv n GLU 102 Ca -0.13 -1.92 -0.29 0.00 -0.42 0.00 0.00 57.16 54.40 1xwv n GLU 102 Cb 0.56 -1.35 -0.12 0.00 -0.57 0.00 0.00 31.44 29.97 1xwv n GLU 102 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1xwv s ASN 103 N -1.13 3.00 -0.03 1.62 0.01 -1.26 -4.91 114.94 112.23 1xwv s ASN 103 Ca 0.27 -2.47 0.07 0.00 -0.71 0.00 0.00 52.86 50.02 1xwv s ASN 103 Cb 0.15 -0.62 -0.02 0.00 0.41 0.00 0.00 41.25 41.18 1xwv s ASN 103 CO 0.21 -0.27 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.59 1xwv s VAL 104 N 0.67 2.03 -0.10 1.60 1.01 -1.25 -1.40 120.40 122.96 1xwv s VAL 104 Ca 0.20 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1xwv s VAL 104 Cb -0.19 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1xwv s VAL 104 CO -0.02 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.89 1xwv s VAL 105 N -0.44 0.90 -0.10 2.92 1.01 -0.74 -4.37 120.40 119.59 1xwv s VAL 105 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1xwv s VAL 105 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1xwv s VAL 105 CO 0.01 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.53 1xwv s VAL 106 N 1.64 2.00 -0.21 2.92 1.01 -0.16 -0.87 120.40 126.73 1xwv s VAL 106 Ca 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1xwv s VAL 106 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1xwv s VAL 106 CO -0.06 0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 1xwv s THR 107 N 0.34 3.30 -0.13 3.92 2.01 -0.20 -0.37 115.64 124.50 1xwv s THR 107 Ca -0.18 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1xwv s THR 107 Cb -0.18 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1xwv s THR 107 CO 0.08 0.44 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1xwv s VAL 108 N 1.30 1.78 0.04 3.82 1.01 0.66 -1.83 120.40 127.19 1xwv s VAL 108 Ca 0.04 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1xwv s VAL 108 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1xwv s VAL 108 CO -0.03 0.50 -0.16 -1.59 0.00 0.00 0.00 175.10 173.82 1xwv s LYS 109 N 0.97 1.02 -0.19 2.72 -2.85 -0.76 -0.87 119.74 119.78 1xwv s LYS 109 Ca -0.05 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.00 1xwv s LYS 109 Cb -0.15 -1.07 -0.05 0.00 -2.06 0.00 0.00 37.83 34.51 1xwv s LYS 109 CO -0.03 0.26 0.11 -1.17 0.10 0.00 0.00 175.35 174.62 1xwv s LEU 110 N -1.22 4.08 -0.09 2.77 2.96 0.63 -2.09 118.68 125.72 1xwv s LEU 110 Ca 0.03 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1xwv s LEU 110 Cb -0.08 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1xwv s LEU 110 CO 0.02 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.38 1xwv s VAL 111 N 0.31 1.47 0.00 1.68 1.01 -0.83 0.57 120.40 124.61 1xwv s VAL 111 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1xwv s VAL 111 Cb -0.11 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1xwv s VAL 111 CO -0.01 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1xwv n GLY 112 N 3.88 2.79 0.27 4.51 0.00 0.16 0.39 105.19 117.19 1xwv n GLY 112 Ca -0.21 -2.06 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 1xwv n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwv h ASP 113 N 0.00 0.62 -0.66 1.61 3.32 -1.86 -3.15 116.42 116.31 1xwv h ASP 113 Ca 0.00 -0.16 -0.30 0.00 0.02 0.00 0.00 57.03 56.58 1xwv h ASP 113 Cb 0.00 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 39.20 1xwv h ASP 113 CO 0.00 0.75 0.26 0.59 -1.72 0.00 0.00 179.24 179.12 1xwv n ASN 114 N -4.20 3.44 0.00 6.45 3.02 -1.26 -5.07 115.26 117.64 1xwv n ASN 114 Ca 0.01 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 1xwv n ASN 114 Cb 0.33 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1xwv n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwv n GLY 115 N -0.94 -0.03 3.63 7.41 0.00 -1.19 -5.00 105.19 109.07 1xwv n GLY 115 Ca 0.44 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1xwv n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwv s VAL 116 N 0.00 3.85 -0.08 1.61 1.01 -1.26 0.37 120.40 125.90 1xwv s VAL 116 Ca 0.00 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 1xwv s VAL 116 Cb 0.00 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1xwv s VAL 116 CO 0.00 -0.32 0.74 -0.07 0.00 0.00 0.00 175.10 175.45 1xwv h LEU 117 N 11.27 -0.11 -7.00 3.92 4.07 -0.22 -3.48 115.31 123.76 1xwv h LEU 117 Ca -0.31 -0.46 0.01 0.00 0.08 0.00 0.00 57.88 57.19 1xwv h LEU 117 Cb 1.14 0.03 -0.14 0.00 1.08 0.00 0.00 40.66 42.76 1xwv h LEU 117 CO 1.01 0.54 0.29 0.00 -1.08 0.00 0.00 178.44 179.19 1xwv s ALA 118 N -3.22 -1.69 -0.06 1.53 0.00 -1.11 -4.71 121.76 112.49 1xwv s ALA 118 Ca -0.12 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1xwv s ALA 118 Cb -0.00 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1xwv s ALA 118 CO 0.47 -0.67 0.14 0.00 0.00 0.00 0.00 175.76 175.69 1xwv s ALA 120 N 1.20 0.03 -0.12 0.00 0.00 -0.05 -1.55 121.76 121.28 1xwv s ALA 120 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1xwv s ALA 120 Cb -0.12 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1xwv s ALA 120 CO -0.06 -0.06 -0.17 0.42 0.00 0.00 0.00 175.76 175.90 1xwv s ILE 121 N -0.51 2.74 -0.11 0.00 1.01 0.83 -0.24 121.20 124.91 1xwv s ILE 121 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1xwv s ILE 121 Cb -0.03 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1xwv s ILE 121 CO -0.00 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.29 1xwv s ALA 122 N 0.33 2.38 -0.24 9.38 0.00 0.50 -0.43 121.76 133.67 1xwv s ALA 122 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1xwv s ALA 122 Cb -0.17 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 21.97 1xwv s ALA 122 CO 0.07 0.27 0.59 0.25 0.00 0.00 0.00 175.76 176.94 1xwv n THR 123 N 3.52 0.06 -0.02 0.00 -2.24 -1.26 -0.99 114.28 113.34 1xwv n THR 123 Ca -0.19 -0.53 0.10 0.00 -2.27 0.00 0.00 64.05 61.17 1xwv n THR 123 Cb 0.53 1.01 0.23 0.00 -2.10 0.00 0.00 70.33 70.00 1xwv n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xwv n HIS 124 N 0.09 0.64 -2.59 4.78 8.25 -1.26 -4.63 115.22 120.49 1xwv n HIS 124 Ca 0.01 -0.37 -0.37 0.00 -0.26 0.00 0.00 57.72 56.73 1xwv n HIS 124 Cb 0.06 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1xwv n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xwv s ALA 125 N -1.18 3.12 -0.03 -1.41 0.00 -1.26 0.05 121.76 121.05 1xwv s ALA 125 Ca 0.38 0.67 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1xwv s ALA 125 Cb 0.21 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1xwv s ALA 125 CO 0.28 -0.13 -0.04 0.15 0.00 0.00 0.00 175.76 176.02 1xwv s LYS 126 N -2.40 0.61 -0.25 0.00 -0.14 -0.67 -3.76 119.74 113.14 1xwv s LYS 126 Ca 0.56 -0.09 -0.09 0.00 -1.36 0.00 0.00 55.97 55.00 1xwv s LYS 126 Cb -0.21 -0.65 -0.04 0.00 -1.68 0.00 0.00 37.83 35.25 1xwv s LYS 126 CO 0.27 -0.04 0.11 0.42 -0.76 0.00 0.00 175.35 175.35 1xwv s ILE 127 N 0.66 4.72 0.30 2.17 1.01 -0.19 -0.34 121.20 129.53 1xwv s ILE 127 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1xwv s ILE 127 Cb -0.11 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1xwv s ILE 127 CO -0.00 0.32 0.30 -0.13 0.00 0.00 0.00 174.94 175.43 1xwv s ARG 128 N 1.52 1.67 0.00 2.79 0.52 -0.67 -1.56 118.95 123.22 1xwv s ARG 128 Ca 0.06 -1.85 0.17 0.00 -0.52 0.00 0.00 55.73 53.59 1xwv s ARG 128 Cb -0.15 0.35 1.04 0.00 0.52 0.00 0.00 34.95 36.71 1xwv s ARG 128 CO 0.06 -0.63 1.45 -0.25 0.02 0.00 0.00 175.30 175.94