#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnr s ILE 2 N 0.00 3.79 -0.42 1.12 1.01 -1.26 -5.07 121.20 120.37 1wnr s ILE 2 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 60.65 59.17 1wnr s ILE 2 Cb 0.00 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1wnr s ILE 2 CO 0.00 -0.30 0.50 -0.75 0.00 0.00 0.00 174.94 174.39 1wnr s LYS 3 N 1.37 3.17 0.33 2.79 2.20 -1.26 -4.87 119.74 123.48 1wnr s LYS 3 Ca 0.00 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1wnr s LYS 3 Cb -0.21 -3.96 -0.10 0.00 -1.51 0.00 0.00 37.83 32.06 1wnr s LYS 3 CO 0.02 -0.89 1.26 -2.14 -0.36 0.00 0.00 175.35 173.24 1wnr s PRO 4 N 2.35 4.37 -0.16 4.03 0.02 -1.26 -5.00 135.00 139.35 1wnr s PRO 4 Ca 0.15 2.12 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 1wnr s PRO 4 Cb -0.16 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1wnr s PRO 4 CO 0.15 -0.14 0.16 -0.51 -0.33 0.00 0.00 177.00 176.34 1wnr s LEU 5 N -1.80 4.29 0.00 -5.54 1.43 -1.26 -4.25 118.68 111.55 1wnr s LEU 5 Ca 0.49 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1wnr s LEU 5 Cb -0.38 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1wnr s LEU 5 CO 0.50 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.95 1wnr n GLY 6 N 2.89 2.16 2.20 -3.19 0.00 -1.26 -3.70 105.19 104.29 1wnr n GLY 6 Ca -0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 1wnr n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wnr n ASP 7 N 5.56 5.87 -4.30 1.61 2.03 -1.25 -0.95 116.55 125.11 1wnr n ASP 7 Ca 0.00 -2.84 -0.22 0.00 0.52 0.00 0.00 54.79 52.25 1wnr n ASP 7 Cb 0.00 -1.31 -0.10 0.00 -0.72 0.00 0.00 41.12 39.00 1wnr n ASP 7 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1wnr s ARG 8 N -0.43 1.69 0.12 -0.67 0.52 -1.24 -0.39 118.95 118.56 1wnr s ARG 8 Ca 0.59 -1.97 -0.07 0.00 -0.52 0.00 0.00 55.73 53.77 1wnr s ARG 8 Cb 0.33 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 35.15 1wnr s ARG 8 CO -0.10 -0.31 0.18 0.14 0.02 0.00 0.00 175.30 175.23 1wnr s VAL 9 N -3.37 0.11 -0.10 3.52 -7.23 0.15 0.27 120.40 113.74 1wnr s VAL 9 Ca 0.33 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1wnr s VAL 9 Cb 0.06 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1wnr s VAL 9 CO 0.15 -0.50 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.57 1wnr s VAL 10 N -3.95 2.58 0.17 1.32 1.01 0.11 -1.63 120.40 120.03 1wnr s VAL 10 Ca 0.14 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1wnr s VAL 10 Cb 0.05 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1wnr s VAL 10 CO -0.04 0.55 -0.15 0.68 0.00 0.00 0.00 175.10 176.13 1wnr s VAL 11 N 0.20 1.67 -0.27 2.92 -7.23 -0.37 -0.07 120.40 117.24 1wnr s VAL 11 Ca -0.11 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 1wnr s VAL 11 Cb -0.16 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1wnr s VAL 11 CO 0.06 -0.48 0.10 -0.75 -0.31 0.00 0.00 175.10 173.73 1wnr s LYS 12 N -3.19 3.55 0.60 4.82 2.47 0.31 -1.32 119.74 126.99 1wnr s LYS 12 Ca 0.17 -0.55 -0.19 0.00 -1.56 0.00 0.00 55.97 53.84 1wnr s LYS 12 Cb -0.03 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.89 1wnr s LYS 12 CO 0.06 -0.27 1.26 0.50 0.16 0.00 0.00 175.35 177.06 1wnr s ARG 13 N 1.62 2.89 -0.12 4.03 3.52 -1.26 -0.41 118.95 129.22 1wnr s ARG 13 Ca 0.06 1.96 -0.04 0.00 -0.13 0.00 0.00 55.73 57.58 1wnr s ARG 13 Cb -0.16 -1.97 -0.06 0.00 -1.56 0.00 0.00 34.95 31.21 1wnr s ARG 13 CO 0.05 -1.30 -0.14 -0.89 -0.81 0.00 0.00 175.30 172.21 1wnr n ILE 14 N -1.56 0.64 0.00 4.11 5.41 -0.59 -4.82 119.36 122.55 1wnr n ILE 14 Ca 0.14 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1wnr n ILE 14 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 1wnr n ILE 14 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1wnr n PRO 34 N -3.35 0.00 -4.66 0.38 -0.02 -1.26 -4.73 135.00 121.36 1wnr n PRO 34 Ca -0.22 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.00 1wnr n PRO 34 Cb 0.68 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 34.01 1wnr n PRO 34 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wnr s GLN 35 N 0.00 1.39 0.11 -0.52 -1.52 -0.11 -4.81 119.66 114.20 1wnr s GLN 35 Ca 0.00 -0.91 0.08 0.00 -1.95 0.00 0.00 55.36 52.57 1wnr s GLN 35 Cb 0.00 -1.48 -0.04 0.00 -0.22 0.00 0.00 33.01 31.27 1wnr s GLN 35 CO 0.00 0.38 -0.11 0.15 -0.25 0.00 0.00 175.29 175.46 1wnr s LYS 36 N -1.11 2.06 0.05 2.91 1.02 -1.26 -1.12 119.74 122.29 1wnr s LYS 36 Ca 0.07 -1.07 -0.27 0.00 0.02 0.00 0.00 55.97 54.73 1wnr s LYS 36 Cb -0.09 -2.26 0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1wnr s LYS 36 CO 0.02 0.50 0.72 0.20 -0.92 0.00 0.00 175.35 175.86 1wnr s GLY 37 N -2.24 -0.55 -0.17 -3.33 0.00 -0.72 -1.54 107.32 98.78 1wnr s GLY 37 Ca 0.21 0.91 -0.08 0.00 0.00 0.00 0.00 44.72 45.76 1wnr s GLY 37 CO 0.13 0.44 0.10 1.25 0.00 0.00 0.00 173.10 175.02 1wnr s LYS 38 N -2.86 3.90 -0.04 2.90 2.20 0.45 -1.25 119.74 125.04 1wnr s LYS 38 Ca -0.01 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1wnr s LYS 38 Cb -0.01 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1wnr s LYS 38 CO -0.06 0.40 1.22 0.08 -0.36 0.00 0.00 175.35 176.63 1wnr s VAL 39 N 0.04 4.19 -0.05 4.02 1.01 0.25 -0.53 120.40 129.32 1wnr s VAL 39 Ca 0.08 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.63 1wnr s VAL 39 Cb -0.12 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1wnr s VAL 39 CO 0.00 0.01 0.13 2.30 0.00 0.00 0.00 175.10 177.54 1wnr n ILE 40 N 4.55 0.00 -3.70 2.22 -5.35 0.89 -0.66 119.36 117.30 1wnr n ILE 40 Ca 0.11 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1wnr n ILE 40 Cb 0.46 0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 38.79 1wnr n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wnr s ALA 41 N -2.14 -1.22 -0.01 -1.28 0.00 -1.10 -4.92 121.76 111.08 1wnr s ALA 41 Ca -0.01 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.37 1wnr s ALA 41 Cb 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1wnr s ALA 41 CO 0.20 -0.24 -0.19 0.14 0.00 0.00 0.00 175.76 175.67 1wnr s VAL 42 N 0.19 1.51 0.41 0.00 -7.23 -1.26 0.10 120.40 114.11 1wnr s VAL 42 Ca -0.01 -0.85 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1wnr s VAL 42 Cb -0.03 -1.26 0.10 0.00 0.56 0.00 0.00 36.38 35.74 1wnr s VAL 42 CO 0.01 0.40 0.40 0.61 -0.31 0.00 0.00 175.10 176.21 1wnr n GLY 43 N 2.53 -2.23 0.32 2.32 0.00 0.14 -4.76 105.19 103.51 1wnr n GLY 43 Ca -0.15 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.49 1wnr n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wnr n THR 44 N -3.16 0.00 0.00 2.61 -2.24 -0.83 -4.75 114.28 105.91 1wnr n THR 44 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1wnr n THR 44 Cb 0.20 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1wnr n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wnr n GLY 45 N 1.23 -0.43 3.77 3.38 0.00 -0.13 -4.59 105.19 108.42 1wnr n GLY 45 Ca 0.17 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1wnr n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wnr s ARG 46 N -2.22 4.07 -0.18 1.61 3.52 -1.12 -3.87 118.95 120.77 1wnr s ARG 46 Ca 0.00 1.75 -0.08 0.00 -0.13 0.00 0.00 55.73 57.28 1wnr s ARG 46 Cb 0.00 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 1wnr s ARG 46 CO 0.00 -0.28 0.07 0.08 -0.81 0.00 0.00 175.30 174.36 1wnr s VAL 47 N -1.47 4.88 0.31 7.11 1.01 -1.26 -0.63 120.40 130.34 1wnr s VAL 47 Ca 0.57 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1wnr s VAL 47 Cb -0.28 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1wnr s VAL 47 CO 0.36 0.47 0.59 -0.76 0.00 0.00 0.00 175.10 175.76 1wnr s LEU 48 N 0.26 4.02 0.46 3.92 1.43 0.12 -4.97 118.68 123.92 1wnr s LEU 48 Ca 0.04 0.79 0.25 0.00 -1.03 0.00 0.00 54.13 54.19 1wnr s LEU 48 Cb -0.12 -3.62 1.38 0.00 0.03 0.00 0.00 46.19 43.85 1wnr s LEU 48 CO 0.00 -0.23 1.75 -0.33 0.23 0.00 0.00 176.35 177.77 1wnr h GLU 49 N 1.62 0.00 -0.33 1.70 4.39 -1.99 0.71 114.58 120.68 1wnr h GLU 49 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1wnr h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1wnr h GLU 49 CO 0.66 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.78 1wnr n ASN 50 N -2.49 2.27 0.00 1.42 6.94 -1.26 -4.92 115.26 117.22 1wnr n ASN 50 Ca -0.02 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 1wnr n ASN 50 Cb 0.20 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1wnr n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wnr n GLY 51 N 1.23 2.97 3.71 4.83 0.00 0.25 -5.04 105.19 113.13 1wnr n GLY 51 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1wnr n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wnr n GLN 52 N -0.52 0.83 -4.10 1.61 6.02 -1.25 -4.58 117.38 115.40 1wnr n GLN 52 Ca 0.00 0.35 -0.34 0.00 -0.01 0.00 0.00 57.00 57.00 1wnr n GLN 52 Cb 0.00 -2.49 -0.15 0.00 1.02 0.00 0.00 30.24 28.63 1wnr n GLN 52 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1wnr s ARG 53 N -3.55 3.26 -0.27 -1.09 3.52 -1.26 0.13 118.95 119.69 1wnr s ARG 53 Ca 0.80 -0.69 -0.21 0.00 -0.13 0.00 0.00 55.73 55.50 1wnr s ARG 53 Cb -0.36 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1wnr s ARG 53 CO 0.44 -0.14 0.64 0.08 -0.81 0.00 0.00 175.30 175.51 1wnr s VAL 54 N 1.26 4.96 0.76 7.11 1.01 0.20 -4.97 120.40 130.73 1wnr s VAL 54 Ca 0.03 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 1wnr s VAL 54 Cb -0.14 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1wnr s VAL 54 CO -0.05 -0.03 1.14 -2.84 0.00 0.00 0.00 175.10 173.32 1wnr s PRO 55 N 2.56 2.08 0.59 2.72 0.02 -1.26 -2.79 135.00 138.92 1wnr s PRO 55 Ca 0.26 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.59 1wnr s PRO 55 Cb -0.15 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1wnr s PRO 55 CO 0.09 -1.82 1.14 -0.51 -0.33 0.00 0.00 177.00 175.57 1wnr s LEU 56 N -5.59 3.63 -0.02 -5.54 1.43 -1.26 -4.89 118.68 106.44 1wnr s LEU 56 Ca 0.68 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 56.04 1wnr s LEU 56 Cb -0.23 -4.58 0.30 0.00 0.03 0.00 0.00 46.19 41.72 1wnr s LEU 56 CO 0.50 -1.41 1.21 1.21 0.23 0.00 0.00 176.35 178.08 1wnr n GLU 57 N -1.68 1.94 -4.36 1.70 2.13 -1.26 -4.86 120.64 114.25 1wnr n GLU 57 Ca 0.12 -1.22 -0.19 0.00 0.66 0.00 0.00 57.16 56.53 1wnr n GLU 57 Cb 0.51 -1.36 -0.10 0.00 0.27 0.00 0.00 31.44 30.76 1wnr n GLU 57 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wnr s VAL 58 N -1.60 1.40 0.16 6.31 -7.23 -1.26 -5.09 120.40 113.09 1wnr s VAL 58 Ca 0.22 -2.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1wnr s VAL 58 Cb 0.13 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1wnr s VAL 58 CO 0.13 -0.41 0.05 -1.59 -0.31 0.00 0.00 175.10 172.98 1wnr s LYS 59 N -3.76 1.06 0.45 4.82 -2.85 -1.26 -5.03 119.74 113.17 1wnr s LYS 59 Ca 0.26 -1.52 -0.24 0.00 -1.00 0.00 0.00 55.97 53.47 1wnr s LYS 59 Cb 0.03 0.05 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 1wnr s LYS 59 CO 0.09 -0.24 1.18 0.39 0.10 0.00 0.00 175.35 176.86 1wnr n GLU 60 N -0.19 1.66 0.00 1.78 1.02 -1.26 -2.03 120.64 121.61 1wnr n GLU 60 Ca -0.04 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1wnr n GLU 60 Cb 0.64 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1wnr n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wnr n GLY 61 N 0.95 2.88 3.68 0.62 0.00 0.16 -4.97 105.19 108.51 1wnr n GLY 61 Ca 0.08 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1wnr n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wnr n ASP 62 N 0.41 2.20 -4.31 1.61 10.43 -0.86 -4.56 116.55 121.47 1wnr n ASP 62 Ca 0.00 1.09 -0.42 0.00 2.57 0.00 0.00 54.79 58.03 1wnr n ASP 62 Cb 0.00 -1.46 -0.08 0.00 1.84 0.00 0.00 41.12 41.42 1wnr n ASP 62 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1wnr s ILE 63 N -1.21 4.70 0.12 0.53 1.01 -1.26 -0.58 121.20 124.50 1wnr s ILE 63 Ca 0.62 -1.33 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 1wnr s ILE 63 Cb -0.53 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1wnr s ILE 63 CO 0.58 -0.60 0.31 0.68 0.00 0.00 0.00 174.94 175.91 1wnr s VAL 64 N 1.52 5.25 -0.19 2.92 -7.23 -0.38 0.07 120.40 122.35 1wnr s VAL 64 Ca 0.04 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 1wnr s VAL 64 Cb -0.25 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 1wnr s VAL 64 CO 0.04 0.06 0.03 -0.69 -0.31 0.00 0.00 175.10 174.23 1wnr s VAL 65 N -1.62 4.37 0.12 1.32 1.01 0.82 -1.75 120.40 124.68 1wnr s VAL 65 Ca 0.39 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1wnr s VAL 65 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1wnr s VAL 65 CO 0.26 0.44 -0.08 0.72 0.00 0.00 0.00 175.10 176.44 1wnr s PHE 66 N 0.73 1.06 0.25 5.22 -0.12 -0.28 -0.30 117.98 124.55 1wnr s PHE 66 Ca 0.02 -0.84 -0.31 0.00 -0.05 0.00 0.00 56.93 55.75 1wnr s PHE 66 Cb -0.14 -0.57 -0.11 0.00 -0.63 0.00 0.00 43.02 41.57 1wnr s PHE 66 CO 0.02 -0.04 1.60 0.00 -0.05 0.00 0.00 175.22 176.74 1wnr s ALA 67 N -3.49 3.77 0.41 1.99 0.00 -1.25 -0.94 121.76 122.26 1wnr s ALA 67 Ca 0.14 1.52 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 1wnr s ALA 67 Cb 0.04 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1wnr s ALA 67 CO -0.02 -0.91 1.25 1.17 0.00 0.00 0.00 175.76 177.24 1wnr n LYS 68 N 2.78 1.91 -0.90 0.00 4.81 -1.26 -0.70 118.16 124.80 1wnr n LYS 68 Ca 0.10 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1wnr n LYS 68 Cb 0.37 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1wnr n LYS 68 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1wnr n TYR 69 N -0.15 0.00 -3.20 5.64 0.53 -1.26 -4.99 117.16 113.74 1wnr n TYR 69 Ca 0.07 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.63 1wnr n TYR 69 Cb 0.39 -0.74 -0.05 0.00 -1.03 0.00 0.00 39.34 37.91 1wnr n TYR 69 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1wnr s GLY 70 N -2.00 2.19 0.00 2.72 0.00 0.12 -4.97 107.32 105.39 1wnr s GLY 70 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1wnr s GLY 70 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1wnr n GLY 71 N -0.53 -2.26 3.07 0.20 0.00 -1.26 -4.93 105.19 99.49 1wnr n GLY 71 Ca 0.02 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1wnr n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wnr s THR 72 N -0.29 1.63 -0.08 2.61 2.01 0.31 -4.94 115.64 116.90 1wnr s THR 72 Ca 0.00 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1wnr s THR 72 Cb 0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1wnr s THR 72 CO 0.00 0.47 0.86 -1.61 -0.69 0.00 0.00 174.62 173.64 1wnr s GLU 73 N 1.05 4.44 -0.00 4.92 0.41 -1.26 -0.65 118.70 127.61 1wnr s GLU 73 Ca -0.04 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 55.69 1wnr s GLU 73 Cb -0.15 -3.49 -0.01 0.00 -1.78 0.00 0.00 34.13 28.70 1wnr s GLU 73 CO -0.04 -0.11 -0.09 -1.50 -0.49 0.00 0.00 175.26 173.03 1wnr s ILE 74 N 1.34 0.70 -0.04 -1.63 1.10 -0.73 -5.00 121.20 116.94 1wnr s ILE 74 Ca 0.43 -0.41 0.07 0.00 -0.51 0.00 0.00 60.65 60.23 1wnr s ILE 74 Cb -0.18 -0.59 -0.01 0.00 0.15 0.00 0.00 42.46 41.82 1wnr s ILE 74 CO 0.20 0.17 -0.24 -0.70 -2.11 0.00 0.00 174.94 172.26 1wnr s GLU 75 N -0.27 2.22 -0.14 3.50 2.12 -1.26 -1.24 118.70 123.63 1wnr s GLU 75 Ca 0.03 -0.86 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 1wnr s GLU 75 Cb -0.04 -1.99 0.07 0.00 0.26 0.00 0.00 34.13 32.43 1wnr s GLU 75 CO -0.00 0.43 0.19 0.42 -0.54 0.00 0.00 175.26 175.75 1wnr s ILE 76 N -0.32 -0.28 -1.54 -3.70 1.01 -0.31 -4.84 121.20 111.21 1wnr s ILE 76 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1wnr s ILE 76 Cb -0.12 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.89 1wnr s ILE 76 CO 0.02 -0.01 0.20 0.47 0.00 0.00 0.00 174.94 175.61 1wnr n ASP 77 N 5.32 -5.55 0.00 3.58 8.00 -1.26 -1.73 116.55 124.91 1wnr n ASP 77 Ca -0.05 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1wnr n ASP 77 Cb 0.50 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 1wnr n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wnr n GLY 78 N -1.17 1.44 3.89 0.44 0.00 -1.26 -5.03 105.19 103.50 1wnr n GLY 78 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1wnr n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnr s GLU 79 N -0.36 3.62 0.00 1.61 0.41 -0.71 -5.09 118.70 118.18 1wnr s GLU 79 Ca 0.00 -0.05 0.02 0.00 -0.41 0.00 0.00 54.97 54.54 1wnr s GLU 79 Cb 0.00 -2.99 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1wnr s GLU 79 CO 0.00 0.57 -0.02 -1.21 -0.49 0.00 0.00 175.26 174.11 1wnr s GLU 80 N -2.09 2.70 0.11 1.61 2.02 -1.26 -1.16 118.70 120.62 1wnr s GLU 80 Ca 0.33 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 1wnr s GLU 80 Cb -0.13 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1wnr s GLU 80 CO 0.20 0.62 0.01 0.71 0.02 0.00 0.00 175.26 176.81 1wnr s TYR 81 N -1.05 0.81 -0.10 1.61 1.51 -0.37 -4.70 117.35 115.06 1wnr s TYR 81 Ca 0.19 -1.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1wnr s TYR 81 Cb -0.11 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1wnr s TYR 81 CO 0.09 -0.40 -0.09 0.08 -1.11 0.00 0.00 175.55 174.12 1wnr s VAL 82 N -3.91 1.11 -0.29 0.71 1.01 -0.43 -1.77 120.40 116.83 1wnr s VAL 82 Ca 0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1wnr s VAL 82 Cb 0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1wnr s VAL 82 CO -0.02 0.37 0.49 -0.63 0.00 0.00 0.00 175.10 175.31 1wnr s ILE 83 N 1.41 5.08 0.06 2.22 1.01 0.18 -1.24 121.20 129.91 1wnr s ILE 83 Ca -0.00 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.39 1wnr s ILE 83 Cb -0.13 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1wnr s ILE 83 CO -0.05 0.02 -0.19 -0.76 0.00 0.00 0.00 174.94 173.95 1wnr s LEU 84 N 2.29 2.21 0.21 2.97 1.43 -0.64 -0.53 118.68 126.61 1wnr s LEU 84 Ca 0.19 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1wnr s LEU 84 Cb -0.16 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 1wnr s LEU 84 CO 0.10 0.10 0.44 -0.94 0.23 0.00 0.00 176.35 176.28 1wnr s SER 85 N -1.41 6.45 0.28 2.29 1.04 -1.26 0.33 113.70 121.42 1wnr s SER 85 Ca 0.06 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 1wnr s SER 85 Cb -0.09 -2.08 0.62 0.00 0.10 0.00 0.00 66.02 64.57 1wnr s SER 85 CO 0.02 -0.05 1.63 -0.08 0.98 0.00 0.00 173.24 175.74 1wnr h GLU 86 N 2.21 0.13 0.00 4.02 4.81 -1.04 0.27 114.58 124.99 1wnr h GLU 86 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wnr h GLU 86 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1wnr h GLU 86 CO 0.69 0.09 0.00 2.89 -0.73 0.00 0.00 179.01 181.95 1wnr n ARG 87 N -5.31 0.13 0.00 1.92 1.85 -1.26 -0.77 116.66 113.21 1wnr n ARG 87 Ca 0.19 0.62 0.13 0.00 -1.00 0.00 0.00 57.85 57.78 1wnr n ARG 87 Cb 0.62 -1.93 0.29 0.00 -1.05 0.00 0.00 32.46 30.40 1wnr n ARG 87 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wnr n ASP 88 N -2.21 1.49 -4.47 2.89 9.92 0.96 -4.80 116.55 120.34 1wnr n ASP 88 Ca -0.01 -1.23 -0.43 0.00 -0.53 0.00 0.00 54.79 52.59 1wnr n ASP 88 Cb 0.04 0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 40.65 1wnr n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wnr s LEU 89 N -2.37 4.71 -0.03 0.64 1.43 0.05 -3.78 118.68 119.33 1wnr s LEU 89 Ca 0.26 -0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 1wnr s LEU 89 Cb 0.19 -2.55 -0.21 0.00 0.03 0.00 0.00 46.19 43.66 1wnr s LEU 89 CO 0.48 -1.02 1.24 -0.07 0.23 0.00 0.00 176.35 177.22 1wnr h LEU 90 N 10.14 -0.00 -7.99 1.79 4.07 -0.95 -3.49 115.31 118.88 1wnr h LEU 90 Ca -0.27 -0.51 0.03 0.00 0.08 0.00 0.00 57.88 57.21 1wnr h LEU 90 Cb 1.09 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1wnr h LEU 90 CO 1.01 0.51 0.26 0.00 -1.08 0.00 0.00 178.44 179.14 1wnr s ALA 91 N -4.17 -1.01 -0.12 1.53 0.00 -1.17 -4.98 121.76 111.86 1wnr s ALA 91 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1wnr s ALA 91 Cb 0.01 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1wnr s ALA 91 CO 0.67 -1.02 -0.12 0.08 0.00 0.00 0.00 175.76 175.38 1wnr s VAL 92 N -3.12 3.15 -0.33 0.00 1.01 -1.26 -0.13 120.40 119.72 1wnr s VAL 92 Ca 0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1wnr s VAL 92 Cb -0.05 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1wnr s VAL 92 CO 0.09 0.54 0.33 -0.76 0.00 0.00 0.00 175.10 175.30 1wnr s LEU 93 N 0.12 4.39 0.00 3.92 1.43 0.11 -4.97 118.68 123.67 1wnr s LEU 93 Ca -0.06 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1wnr s LEU 93 Cb -0.15 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1wnr s LEU 93 CO 0.04 -0.29 0.00 0.00 0.23 0.00 0.00 176.35 176.34