#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 5.29 -0.31 1.12 1.01 -1.26 -5.06 121.20 122.00 1wnr s ILE 2 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.19 1wnr s ILE 2 Cb 0.00 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.95 1wnr s ILE 2 CO 0.00 0.48 -0.01 -0.75 0.00 0.00 0.00 174.94 174.67 1wnr s LYS 3 N -0.20 2.05 0.38 2.79 2.20 -1.26 -4.95 119.74 120.76 1wnr s LYS 3 Ca 0.17 -1.53 -0.27 0.00 -0.36 0.00 0.00 55.97 53.98 1wnr s LYS 3 Cb -0.14 -3.12 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 1wnr s LYS 3 CO 0.06 -0.74 1.40 -2.14 -0.36 0.00 0.00 175.35 173.57 1wnr s PRO 4 N 1.08 4.07 -0.16 4.03 0.02 -1.26 -4.98 135.00 137.80 1wnr s PRO 4 Ca -0.01 2.39 -0.10 0.00 0.02 0.00 0.00 61.00 63.31 1wnr s PRO 4 Cb -0.20 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 1wnr s PRO 4 CO -0.05 -0.50 0.17 -0.51 -0.33 0.00 0.00 177.00 175.79 1wnr s LEU 5 N -2.19 4.27 0.00 -5.54 1.43 -1.26 -4.31 118.68 111.07 1wnr s LEU 5 Ca 0.54 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1wnr s LEU 5 Cb -0.43 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1wnr s LEU 5 CO 0.57 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.99 1wnr n GLY 6 N 3.03 2.37 1.89 -3.19 0.00 -1.26 -3.61 105.19 104.41 1wnr n GLY 6 Ca -0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 4.59 5.29 -4.32 1.61 2.03 -1.24 -0.71 116.55 123.81 1wnr n ASP 7 Ca 0.00 -2.48 -0.17 0.00 0.52 0.00 0.00 54.79 52.67 1wnr n ASP 7 Cb 0.00 -1.35 -0.10 0.00 -0.72 0.00 0.00 41.12 38.95 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 0.70 1.34 0.10 -0.67 0.52 -1.24 -0.88 118.95 118.82 1wnr s ARG 8 Ca 0.51 -1.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.00 1wnr s ARG 8 Cb 0.24 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1wnr s ARG 8 CO -0.00 -0.18 0.04 0.14 0.02 0.00 0.00 175.30 175.32 1wnr s VAL 9 N -3.57 0.15 -0.09 3.52 -7.23 0.28 0.14 120.40 113.59 1wnr s VAL 9 Ca 0.31 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1wnr s VAL 9 Cb 0.07 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1wnr s VAL 9 CO 0.10 -0.66 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.33 1wnr s VAL 10 N -3.99 2.44 -0.01 1.32 1.01 0.56 -1.68 120.40 120.06 1wnr s VAL 10 Ca 0.17 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1wnr s VAL 10 Cb 0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1wnr s VAL 10 CO -0.03 0.56 -0.11 0.68 0.00 0.00 0.00 175.10 176.20 1wnr s VAL 11 N 0.03 0.85 -0.19 2.92 -7.23 -0.55 -1.11 120.40 115.14 1wnr s VAL 11 Ca -0.08 -0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1wnr s VAL 11 Cb -0.15 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 1wnr s VAL 11 CO 0.05 0.22 0.81 -0.75 -0.31 0.00 0.00 175.10 175.13 1wnr s LYS 12 N -0.31 4.27 1.15 4.82 2.47 -0.73 -0.72 119.74 130.68 1wnr s LYS 12 Ca 0.04 0.97 -0.13 0.00 -1.56 0.00 0.00 55.97 55.29 1wnr s LYS 12 Cb -0.04 -3.59 0.27 0.00 -1.46 0.00 0.00 37.83 33.01 1wnr s LYS 12 CO -0.00 -0.36 1.04 0.50 0.16 0.00 0.00 175.35 176.69 1wnr s ARG 13 N 2.26 -0.79 0.03 4.03 3.52 -1.20 -1.03 118.95 125.77 1wnr s ARG 13 Ca 0.37 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1wnr s ARG 13 Cb -0.16 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 1wnr s ARG 13 CO 0.11 -3.61 0.00 -0.89 -0.81 0.00 0.00 175.30 170.10 1wnr n ILE 14 N -4.82 0.14 0.00 4.11 5.41 -0.78 -4.73 119.36 118.68 1wnr n ILE 14 Ca 0.03 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1wnr n ILE 14 Cb 0.55 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 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 -2.93 0.00 -4.45 0.38 -0.02 -1.26 -4.81 135.00 121.91 1wnr n PRO 34 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1wnr n PRO 34 Cb 0.26 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.62 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 2.07 -0.06 -0.52 -1.52 0.10 -4.87 119.66 114.86 1wnr s GLN 35 Ca 0.00 -1.01 0.03 0.00 -1.95 0.00 0.00 55.36 52.43 1wnr s GLN 35 Cb 0.00 -2.24 -0.03 0.00 -0.22 0.00 0.00 33.01 30.53 1wnr s GLN 35 CO 0.00 0.53 -0.13 0.15 -0.25 0.00 0.00 175.29 175.59 1wnr s LYS 36 N -1.79 2.66 0.14 2.91 1.02 -1.26 -0.30 119.74 123.12 1wnr s LYS 36 Ca 0.17 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.38 1wnr s LYS 36 Cb -0.11 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1wnr s LYS 36 CO 0.09 0.57 0.32 0.20 -0.92 0.00 0.00 175.35 175.61 1wnr s GLY 37 N -0.59 0.13 -0.19 -3.33 0.00 -0.74 -1.87 107.32 100.73 1wnr s GLY 37 Ca 0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.22 1wnr s GLY 37 CO 0.01 -0.64 -0.03 1.25 0.00 0.00 0.00 173.10 173.70 1wnr s LYS 38 N -3.89 3.54 0.09 2.90 2.20 -0.20 -1.17 119.74 123.22 1wnr s LYS 38 Ca 0.10 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 54.83 1wnr s LYS 38 Cb 0.03 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.28 1wnr s LYS 38 CO -0.06 0.02 1.52 0.08 -0.36 0.00 0.00 175.35 176.55 1wnr s VAL 39 N 0.94 3.14 -0.00 4.02 1.01 0.29 -1.78 120.40 128.02 1wnr s VAL 39 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1wnr s VAL 39 Cb -0.15 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wnr s VAL 39 CO 0.01 0.03 0.00 2.30 0.00 0.00 0.00 175.10 177.44 1wnr n ILE 40 N 4.34 0.00 -3.64 2.22 -5.35 -0.26 0.27 119.36 116.94 1wnr n ILE 40 Ca 0.14 -0.34 -0.08 0.00 -0.27 0.00 0.00 62.75 62.20 1wnr n ILE 40 Cb 0.41 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 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 -1.32 -1.94 0.18 -1.28 0.00 -1.17 -4.92 121.76 111.31 1wnr s ALA 41 Ca 0.00 2.26 0.09 0.00 0.00 0.00 0.00 51.96 54.31 1wnr s ALA 41 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1wnr s ALA 41 CO 0.00 -0.35 -0.10 0.14 0.00 0.00 0.00 175.76 175.45 1wnr s VAL 42 N 1.22 3.18 0.00 0.00 -7.23 -1.26 -0.33 120.40 115.98 1wnr s VAL 42 Ca -0.07 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1wnr s VAL 42 Cb -0.05 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1wnr s VAL 42 CO -0.14 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1wnr n GLY 43 N 0.03 -0.42 0.46 2.32 0.00 0.37 -4.63 105.19 103.31 1wnr n GLY 43 Ca -0.11 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.40 0.00 0.00 2.61 -2.24 -0.77 -4.75 114.28 107.74 1wnr n THR 44 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1wnr n THR 44 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.27 -0.70 3.77 3.38 0.00 0.12 -4.50 105.19 108.53 1wnr n GLY 45 Ca 0.15 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.97 3.93 -0.17 1.61 3.52 -1.12 -3.65 118.95 121.09 1wnr s ARG 46 Ca 0.00 1.79 -0.07 0.00 -0.13 0.00 0.00 55.73 57.33 1wnr s ARG 46 Cb 0.00 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1wnr s ARG 46 CO 0.00 -0.41 0.04 0.08 -0.81 0.00 0.00 175.30 174.20 1wnr s VAL 47 N -1.49 4.60 0.40 7.11 1.01 -1.26 -0.07 120.40 130.70 1wnr s VAL 47 Ca 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1wnr s VAL 47 Cb -0.29 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1wnr s VAL 47 CO 0.36 0.47 0.63 -0.76 0.00 0.00 0.00 175.10 175.80 1wnr s LEU 48 N 0.33 3.87 0.00 3.92 1.43 0.16 -4.96 118.68 123.43 1wnr s LEU 48 Ca 0.02 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1wnr s LEU 48 Cb -0.13 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1wnr s LEU 48 CO 0.01 -0.42 0.73 -0.62 0.23 0.00 0.00 176.35 176.28 1wnr n GLU 49 N -1.95 0.01 -0.52 1.70 -0.58 -1.26 0.02 120.64 118.06 1wnr n GLU 49 Ca -0.03 0.21 0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1wnr n GLU 49 Cb 0.56 -1.50 0.25 0.00 -0.57 0.00 0.00 31.44 30.18 1wnr n GLU 49 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1wnr n ASN 50 N -1.22 3.68 0.00 1.62 6.94 -1.26 -4.95 115.26 120.08 1wnr n ASN 50 Ca 0.00 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 1wnr n ASN 50 Cb 0.00 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 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 -0.62 2.10 3.77 4.83 0.00 0.10 -4.98 105.19 110.39 1wnr n GLY 51 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1wnr n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wnr s GLN 52 N 0.00 4.37 -0.27 1.61 -0.21 -1.25 -4.69 119.66 119.22 1wnr s GLN 52 Ca 0.00 1.93 -0.07 0.00 0.02 0.00 0.00 55.36 57.24 1wnr s GLN 52 Cb 0.00 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 31.02 1wnr s GLN 52 CO 0.00 -0.07 0.07 0.50 -2.12 0.00 0.00 175.29 173.67 1wnr s ARG 53 N -1.83 3.32 -0.40 2.91 3.52 -1.26 0.38 118.95 125.59 1wnr s ARG 53 Ca 0.50 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 1wnr s ARG 53 Cb -0.34 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1wnr s ARG 53 CO 0.44 -0.33 0.84 0.08 -0.81 0.00 0.00 175.30 175.51 1wnr s VAL 54 N 1.55 4.63 0.89 7.11 1.01 0.90 -4.95 120.40 131.54 1wnr s VAL 54 Ca 0.04 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1wnr s VAL 54 Cb -0.16 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.02 1wnr s VAL 54 CO 0.03 -0.59 0.97 -2.65 0.00 0.00 0.00 175.10 172.86 1wnr n PRO 55 N 6.70 -0.23 -1.91 2.72 -0.02 -1.26 -2.81 135.00 138.18 1wnr n PRO 55 Ca 0.04 -0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 1wnr n PRO 55 Cb 0.48 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1wnr n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wnr s LEU 56 N -4.87 3.46 0.00 2.45 1.43 -1.26 -4.87 118.68 115.03 1wnr s LEU 56 Ca 0.66 1.94 0.27 0.00 -1.03 0.00 0.00 54.13 55.98 1wnr s LEU 56 Cb -0.25 -4.55 0.86 0.00 0.03 0.00 0.00 46.19 42.29 1wnr s LEU 56 CO 0.58 -1.41 1.64 1.21 0.23 0.00 0.00 176.35 178.60 1wnr n GLU 57 N -2.17 0.54 -4.34 1.70 2.13 -1.26 -4.88 120.64 112.36 1wnr n GLU 57 Ca 0.10 -0.27 -0.25 0.00 0.66 0.00 0.00 57.16 57.40 1wnr n GLU 57 Cb 0.52 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 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 -2.65 3.07 0.43 6.31 -7.23 -1.26 -5.14 120.40 113.94 1wnr s VAL 58 Ca 0.22 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1wnr s VAL 58 Cb 0.19 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1wnr s VAL 58 CO 0.55 -0.27 0.06 -1.59 -0.31 0.00 0.00 175.10 173.53 1wnr s LYS 59 N -3.28 1.99 0.54 4.82 -2.85 -1.26 -4.99 119.74 114.70 1wnr s LYS 59 Ca 0.28 -2.21 -0.21 0.00 -1.00 0.00 0.00 55.97 52.83 1wnr s LYS 59 Cb -0.07 -1.13 -0.05 0.00 -2.06 0.00 0.00 37.83 34.52 1wnr s LYS 59 CO 0.17 -0.33 1.24 -1.21 0.10 0.00 0.00 175.35 175.31 1wnr s GLU 60 N -3.80 3.28 0.00 1.78 2.02 -1.26 -2.52 118.70 118.19 1wnr s GLU 60 Ca 0.21 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.13 1wnr s GLU 60 Cb 0.04 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1wnr s GLU 60 CO 0.11 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.81 1wnr n GLY 61 N 0.55 2.86 3.68 -1.39 0.00 0.14 -4.97 105.19 106.06 1wnr n GLY 61 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 0.37 2.10 -4.46 1.61 10.43 -1.05 -4.61 116.55 120.94 1wnr n ASP 62 Ca 0.00 1.01 -0.38 0.00 2.57 0.00 0.00 54.79 57.99 1wnr n ASP 62 Cb 0.00 -1.48 -0.12 0.00 1.84 0.00 0.00 41.12 41.36 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 -1.29 4.60 0.24 0.53 1.09 -1.26 -0.55 121.20 124.57 1wnr s ILE 63 Ca 0.67 -0.25 0.08 0.00 -1.10 0.00 0.00 60.65 60.05 1wnr s ILE 63 Cb -0.47 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 1wnr s ILE 63 CO 0.54 0.19 0.08 0.68 -0.10 0.00 0.00 174.94 176.32 1wnr s VAL 64 N 1.64 3.91 -0.13 2.92 -7.23 -0.32 0.64 120.40 121.83 1wnr s VAL 64 Ca 0.06 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1wnr s VAL 64 Cb -0.16 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 1wnr s VAL 64 CO 0.06 -0.32 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.72 1wnr s VAL 65 N -2.15 3.18 0.08 1.32 1.01 0.33 -1.80 120.40 122.37 1wnr s VAL 65 Ca 0.31 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1wnr s VAL 65 Cb -0.07 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1wnr s VAL 65 CO 0.22 0.52 -0.07 0.72 0.00 0.00 0.00 175.10 176.49 1wnr s PHE 66 N 0.34 0.82 0.07 5.22 -0.12 0.59 -0.95 117.98 123.94 1wnr s PHE 66 Ca -0.10 -0.81 -0.35 0.00 -0.05 0.00 0.00 56.93 55.62 1wnr s PHE 66 Cb -0.16 -0.48 -0.15 0.00 -0.63 0.00 0.00 43.02 41.61 1wnr s PHE 66 CO 0.05 -0.14 1.55 0.00 -0.05 0.00 0.00 175.22 176.63 1wnr n ALA 67 N 0.37 0.38 -1.63 1.99 0.00 -1.22 -0.72 120.51 119.67 1wnr n ALA 67 Ca -0.15 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1wnr n ALA 67 Cb 0.59 -2.26 0.05 0.00 0.00 0.00 0.00 19.45 17.83 1wnr n ALA 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wnr n LYS 68 N 3.66 1.02 -0.85 0.00 4.81 -1.26 -0.69 118.16 124.86 1wnr n LYS 68 Ca 0.19 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1wnr n LYS 68 Cb 0.24 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.09 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 -1.55 0.00 -2.78 5.64 0.53 -1.26 -4.95 117.16 112.79 1wnr n TYR 69 Ca 0.13 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.74 1wnr n TYR 69 Cb 0.46 -1.81 -0.01 0.00 -1.03 0.00 0.00 39.34 36.96 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 1.50 0.11 2.72 0.00 0.14 -4.99 107.32 104.80 1wnr s GLY 70 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1wnr s GLY 70 CO 0.00 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1wnr n GLY 71 N -2.10 -1.73 3.38 0.20 0.00 -1.26 -4.89 105.19 98.79 1wnr n GLY 71 Ca -0.00 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.76 3.70 0.04 2.61 2.01 -0.14 -4.92 115.64 117.17 1wnr s THR 72 Ca 0.00 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1wnr s THR 72 Cb 0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1wnr s THR 72 CO 0.00 0.42 1.10 -1.61 -0.69 0.00 0.00 174.62 173.84 1wnr s GLU 73 N 1.26 4.49 -0.04 4.92 0.41 -1.26 -0.11 118.70 128.38 1wnr s GLU 73 Ca 0.03 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.21 1wnr s GLU 73 Cb -0.14 -3.39 0.03 0.00 -1.78 0.00 0.00 34.13 28.84 1wnr s GLU 73 CO 0.00 -0.16 -0.00 -1.50 -0.49 0.00 0.00 175.26 173.11 1wnr s ILE 74 N 0.99 0.25 -0.17 -1.63 1.10 -0.37 -4.96 121.20 116.41 1wnr s ILE 74 Ca 0.56 0.07 -0.08 0.00 -0.51 0.00 0.00 60.65 60.69 1wnr s ILE 74 Cb -0.26 -0.35 -0.04 0.00 0.15 0.00 0.00 42.46 41.96 1wnr s ILE 74 CO 0.29 0.18 0.08 -0.70 -2.11 0.00 0.00 174.94 172.67 1wnr s GLU 75 N 1.19 3.91 -0.12 3.50 2.12 -1.26 -1.38 118.70 126.66 1wnr s GLU 75 Ca -0.07 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 1wnr s GLU 75 Cb -0.13 -3.23 0.04 0.00 0.26 0.00 0.00 34.13 31.07 1wnr s GLU 75 CO -0.02 0.35 0.04 0.42 -0.54 0.00 0.00 175.26 175.52 1wnr s ILE 76 N 0.16 0.22 -1.01 -3.70 1.01 0.31 -4.87 121.20 113.32 1wnr s ILE 76 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1wnr s ILE 76 Cb -0.12 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1wnr s ILE 76 CO 0.00 -0.01 0.85 0.47 0.00 0.00 0.00 174.94 176.25 1wnr n ASP 77 N 5.18 -6.56 -0.38 3.58 8.00 -1.26 -1.42 116.55 123.68 1wnr n ASP 77 Ca -0.07 -0.67 -0.04 0.00 0.71 0.00 0.00 54.79 54.72 1wnr n ASP 77 Cb 0.49 -4.81 -0.02 0.00 -0.02 0.00 0.00 41.12 36.77 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 -1.42 0.39 3.65 0.44 0.00 -1.26 -4.91 105.19 102.08 1wnr n GLY 78 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.97 2.85 -0.30 1.61 0.41 -0.51 -5.10 118.70 115.69 1wnr s GLU 79 Ca 0.00 -0.51 -0.07 0.00 -0.41 0.00 0.00 54.97 53.98 1wnr s GLU 79 Cb 0.00 -2.69 0.01 0.00 -1.78 0.00 0.00 34.13 29.67 1wnr s GLU 79 CO 0.00 0.67 0.08 -1.21 -0.49 0.00 0.00 175.26 174.31 1wnr s GLU 80 N -1.04 3.08 0.41 1.61 2.02 -1.26 0.11 118.70 123.63 1wnr s GLU 80 Ca 0.15 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.31 1wnr s GLU 80 Cb -0.11 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1wnr s GLU 80 CO 0.04 -0.45 0.03 0.71 0.02 0.00 0.00 175.26 175.61 1wnr s TYR 81 N 1.50 2.14 -0.04 1.61 1.51 -0.48 -3.26 117.35 120.33 1wnr s TYR 81 Ca 0.02 -0.88 -0.00 0.00 -1.01 0.00 0.00 57.07 55.20 1wnr s TYR 81 Cb -0.17 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1wnr s TYR 81 CO 0.03 0.20 0.00 0.08 -1.11 0.00 0.00 175.55 174.75 1wnr s VAL 82 N -2.96 0.20 -0.28 0.71 1.01 0.10 -1.24 120.40 117.94 1wnr s VAL 82 Ca 0.27 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1wnr s VAL 82 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1wnr s VAL 82 CO 0.13 0.17 0.49 -0.63 0.00 0.00 0.00 175.10 175.27 1wnr s ILE 83 N 1.30 5.07 0.09 2.22 1.01 0.85 -1.48 121.20 130.25 1wnr s ILE 83 Ca -0.06 0.73 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 -0.02 0.04 -0.18 -0.76 0.00 0.00 0.00 174.94 174.01 1wnr s LEU 84 N 2.30 2.30 0.06 2.97 1.43 -0.67 -0.97 118.68 126.09 1wnr s LEU 84 Ca 0.20 -0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1wnr s LEU 84 Cb -0.16 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1wnr s LEU 84 CO 0.10 0.00 0.34 -0.94 0.23 0.00 0.00 176.35 176.09 1wnr s SER 85 N -1.89 6.56 0.46 2.29 1.04 -1.26 -0.56 113.70 120.34 1wnr s SER 85 Ca 0.04 0.66 0.34 0.00 0.48 0.00 0.00 55.95 57.46 1wnr s SER 85 Cb -0.10 -2.12 1.48 0.00 0.10 0.00 0.00 66.02 65.38 1wnr s SER 85 CO 0.04 0.19 1.63 -0.08 0.98 0.00 0.00 173.24 175.99 1wnr h GLU 86 N 3.67 0.07 0.00 4.02 4.81 -1.35 0.60 114.58 126.40 1wnr h GLU 86 Ca -0.49 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wnr h GLU 86 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wnr h GLU 86 CO 0.67 0.05 0.00 2.89 -0.73 0.00 0.00 179.01 181.89 1wnr n ARG 87 N -4.54 0.02 0.00 1.92 1.85 -1.26 -1.88 116.66 112.77 1wnr n ARG 87 Ca 0.38 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.65 1wnr n ARG 87 Cb 1.51 -1.54 0.03 0.00 -1.05 0.00 0.00 32.46 31.40 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 -1.58 0.83 -4.59 2.89 9.92 0.21 -4.83 116.55 119.40 1wnr n ASP 88 Ca 0.03 -0.73 -0.43 0.00 -0.53 0.00 0.00 54.79 53.13 1wnr n ASP 88 Cb 0.14 0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 41.29 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 -2.99 3.84 -0.10 0.64 1.43 -0.79 -3.42 118.68 117.30 1wnr s LEU 89 Ca 0.09 0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1wnr s LEU 89 Cb 0.17 -3.38 -0.21 0.00 0.03 0.00 0.00 46.19 42.80 1wnr s LEU 89 CO 0.80 -1.11 0.82 -0.07 0.23 0.00 0.00 176.35 177.02 1wnr h LEU 90 N 10.77 -0.03 -8.15 1.79 4.07 -1.36 -3.49 115.31 118.91 1wnr h LEU 90 Ca -0.23 -0.69 -0.02 0.00 0.08 0.00 0.00 57.88 57.01 1wnr h LEU 90 Cb 1.07 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.75 1wnr h LEU 90 CO 1.07 0.74 0.04 0.00 -1.08 0.00 0.00 178.44 179.20 1wnr s ALA 91 N -2.92 -0.58 -0.16 1.53 0.00 -1.22 -4.99 121.76 113.42 1wnr s ALA 91 Ca -0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1wnr s ALA 91 Cb -0.01 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1wnr s ALA 91 CO 0.59 -0.93 -0.07 0.08 0.00 0.00 0.00 175.76 175.43 1wnr s VAL 92 N -3.78 3.54 -0.26 0.00 1.01 -1.26 -0.51 120.40 119.13 1wnr s VAL 92 Ca 0.18 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1wnr s VAL 92 Cb -0.03 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1wnr s VAL 92 CO 0.09 0.49 0.57 -0.76 0.00 0.00 0.00 175.10 175.49 1wnr s LEU 93 N 0.56 4.07 0.00 3.92 1.43 0.21 -4.98 118.68 123.89 1wnr s LEU 93 Ca -0.05 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1wnr s LEU 93 Cb -0.15 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1wnr s LEU 93 CO 0.03 -0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.27