#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 4.27 -0.53 1.12 1.01 -1.26 -5.06 121.20 120.76 1wnr s ILE 2 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 1wnr s ILE 2 Cb 0.00 -3.43 0.08 0.00 0.01 0.00 0.00 42.46 39.12 1wnr s ILE 2 CO 0.00 -0.26 0.57 -0.75 0.00 0.00 0.00 174.94 174.50 1wnr s LYS 3 N 1.49 3.05 0.49 2.79 2.20 -1.26 -4.93 119.74 123.56 1wnr s LYS 3 Ca 0.01 -1.24 -0.24 0.00 -0.36 0.00 0.00 55.97 54.14 1wnr s LYS 3 Cb -0.20 -4.18 -0.07 0.00 -1.51 0.00 0.00 37.83 31.87 1wnr s LYS 3 CO 0.05 -1.28 1.38 -2.30 -0.36 0.00 0.00 175.35 172.84 1wnr n PRO 4 N 5.84 1.97 -4.11 4.03 -0.02 -1.26 -4.97 135.00 136.47 1wnr n PRO 4 Ca -0.10 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1wnr n PRO 4 Cb 0.43 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 1wnr n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wnr s LEU 5 N -2.92 3.83 0.00 2.45 1.43 -1.26 -4.41 118.68 117.80 1wnr s LEU 5 Ca 0.66 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1wnr s LEU 5 Cb -0.44 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1wnr s LEU 5 CO 0.54 0.28 0.00 0.61 0.23 0.00 0.00 176.35 178.01 1wnr n GLY 6 N 2.79 3.26 2.25 -3.19 0.00 -1.26 -3.47 105.19 105.57 1wnr n GLY 6 Ca -0.18 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 7.07 6.18 -4.27 1.61 2.03 -1.22 0.92 116.55 128.88 1wnr n ASP 7 Ca 0.00 -3.00 -0.25 0.00 0.52 0.00 0.00 54.79 52.06 1wnr n ASP 7 Cb 0.00 -1.24 -0.09 0.00 -0.72 0.00 0.00 41.12 39.08 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 -1.12 1.86 0.06 -0.67 0.52 -1.23 -1.36 118.95 117.01 1wnr s ARG 8 Ca 0.53 -2.11 -0.17 0.00 -0.52 0.00 0.00 55.73 53.46 1wnr s ARG 8 Cb 0.33 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 35.09 1wnr s ARG 8 CO -0.13 -0.38 0.39 0.14 0.02 0.00 0.00 175.30 175.33 1wnr s VAL 9 N -3.22 0.06 -0.20 3.52 -7.23 0.36 0.05 120.40 113.75 1wnr s VAL 9 Ca 0.26 -0.53 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 1wnr s VAL 9 Cb 0.04 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 1wnr s VAL 9 CO 0.14 -0.29 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.93 1wnr s VAL 10 N -2.72 3.70 0.19 1.32 1.01 0.47 -0.95 120.40 123.41 1wnr s VAL 10 Ca -0.04 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1wnr s VAL 10 Cb -0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1wnr s VAL 10 CO -0.04 0.43 -0.20 0.68 0.00 0.00 0.00 175.10 175.97 1wnr s VAL 11 N 1.11 2.57 -0.23 2.92 -7.23 -0.52 -0.86 120.40 118.16 1wnr s VAL 11 Ca 0.02 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 1wnr s VAL 11 Cb -0.14 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1wnr s VAL 11 CO 0.01 -0.10 0.07 -0.75 -0.31 0.00 0.00 175.10 174.02 1wnr s LYS 12 N -2.68 3.78 0.82 4.82 2.47 0.46 -1.92 119.74 127.50 1wnr s LYS 12 Ca 0.21 -0.42 -0.11 0.00 -1.56 0.00 0.00 55.97 54.09 1wnr s LYS 12 Cb -0.08 -3.30 0.09 0.00 -1.46 0.00 0.00 37.83 33.07 1wnr s LYS 12 CO 0.11 -0.02 1.14 0.50 0.16 0.00 0.00 175.35 177.24 1wnr s ARG 13 N 1.18 1.75 -0.03 4.03 3.52 -1.26 -0.16 118.95 127.99 1wnr s ARG 13 Ca 0.05 1.46 -0.01 0.00 -0.13 0.00 0.00 55.73 57.09 1wnr s ARG 13 Cb -0.14 -1.82 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1wnr s ARG 13 CO 0.04 -2.07 -0.03 -0.89 -0.81 0.00 0.00 175.30 171.54 1wnr n ILE 14 N -3.59 0.15 0.00 4.11 5.41 -0.83 -4.78 119.36 119.83 1wnr n ILE 14 Ca 0.11 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1wnr n ILE 14 Cb 0.52 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 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 -3.02 0.00 -4.47 0.38 -0.02 -1.26 -4.88 135.00 121.73 1wnr n PRO 34 Ca -0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.15 1wnr n PRO 34 Cb 0.54 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.89 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 1.38 -0.07 -0.52 -1.52 -0.23 -4.86 119.66 113.83 1wnr s GLN 35 Ca 0.00 -1.21 0.04 0.00 -1.95 0.00 0.00 55.36 52.23 1wnr s GLN 35 Cb 0.00 -1.72 -0.02 0.00 -0.22 0.00 0.00 33.01 31.05 1wnr s GLN 35 CO 0.00 0.42 -0.19 0.15 -0.25 0.00 0.00 175.29 175.41 1wnr s LYS 36 N -1.79 2.76 0.19 2.91 1.02 -1.26 0.02 119.74 123.59 1wnr s LYS 36 Ca 0.11 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 1wnr s LYS 36 Cb -0.10 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1wnr s LYS 36 CO 0.04 0.40 0.45 0.20 -0.92 0.00 0.00 175.35 175.52 1wnr s GLY 37 N -0.16 0.14 -0.21 -3.33 0.00 -0.70 -1.96 107.32 101.10 1wnr s GLY 37 Ca -0.02 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 1wnr s GLY 37 CO 0.04 -0.47 0.06 1.25 0.00 0.00 0.00 173.10 173.97 1wnr s LYS 38 N -3.92 3.82 0.07 2.90 2.20 0.78 -0.91 119.74 124.68 1wnr s LYS 38 Ca 0.13 -0.41 -0.31 0.00 -0.36 0.00 0.00 55.97 55.02 1wnr s LYS 38 Cb 0.00 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 33.01 1wnr s LYS 38 CO -0.01 0.07 1.47 0.08 -0.36 0.00 0.00 175.35 176.60 1wnr s VAL 39 N 0.91 3.34 0.00 4.02 1.01 -0.08 -0.40 120.40 129.20 1wnr s VAL 39 Ca 0.03 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1wnr s VAL 39 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wnr s VAL 39 CO 0.03 0.03 0.09 2.30 0.00 0.00 0.00 175.10 177.54 1wnr n ILE 40 N 4.38 0.00 -3.64 2.22 -5.35 -0.04 -0.37 119.36 116.56 1wnr n ILE 40 Ca 0.13 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 62.02 1wnr n ILE 40 Cb 0.42 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.81 -1.93 0.12 -1.28 0.00 -1.12 -4.94 121.76 111.81 1wnr s ALA 41 Ca 0.00 1.94 0.08 0.00 0.00 0.00 0.00 51.96 53.98 1wnr s ALA 41 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1wnr s ALA 41 CO 0.00 -0.27 -0.19 0.14 0.00 0.00 0.00 175.76 175.44 1wnr s VAL 42 N 0.33 1.67 0.46 0.00 -7.23 -1.26 -0.40 120.40 113.97 1wnr s VAL 42 Ca 0.02 -1.63 -0.06 0.00 -1.81 0.00 0.00 61.98 58.50 1wnr s VAL 42 Cb -0.05 -1.59 0.10 0.00 0.56 0.00 0.00 36.38 35.40 1wnr s VAL 42 CO -0.05 -0.16 0.63 0.61 -0.31 0.00 0.00 175.10 175.82 1wnr n GLY 43 N 0.87 -0.65 0.00 2.32 0.00 0.11 -4.71 105.19 103.13 1wnr n GLY 43 Ca -0.18 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.68 0.12 0.00 2.61 -2.24 -0.72 -4.60 114.28 106.77 1wnr n THR 44 Ca 0.08 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1wnr n THR 44 Cb 0.30 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.35 -0.25 3.79 3.38 0.00 0.26 -4.43 105.19 109.29 1wnr n GLY 45 Ca 0.07 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.34 4.43 -0.17 1.61 3.52 -0.85 -3.41 118.95 122.74 1wnr s ARG 46 Ca 0.00 1.36 -0.06 0.00 -0.13 0.00 0.00 55.73 56.89 1wnr s ARG 46 Cb 0.00 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.70 1wnr s ARG 46 CO 0.00 0.13 0.03 0.08 -0.81 0.00 0.00 175.30 174.73 1wnr s VAL 47 N -1.70 4.52 0.42 7.11 1.01 -1.26 -0.03 120.40 130.47 1wnr s VAL 47 Ca 0.54 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1wnr s VAL 47 Cb -0.18 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1wnr s VAL 47 CO 0.24 0.47 0.74 -0.76 0.00 0.00 0.00 175.10 175.78 1wnr s LEU 48 N 0.36 3.77 0.00 3.92 1.43 0.27 -4.95 118.68 123.47 1wnr s LEU 48 Ca 0.01 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1wnr s LEU 48 Cb -0.13 -3.85 0.09 0.00 0.03 0.00 0.00 46.19 42.34 1wnr s LEU 48 CO 0.01 -0.45 0.65 -0.62 0.23 0.00 0.00 176.35 176.17 1wnr n GLU 49 N -1.74 0.04 -0.25 1.70 -0.58 -1.26 0.15 120.64 118.71 1wnr n GLU 49 Ca 0.01 0.06 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 1wnr n GLU 49 Cb 0.55 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 30.09 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 -1.07 3.13 0.00 1.62 6.94 -1.26 -4.96 115.26 119.66 1wnr n ASN 50 Ca 0.01 -2.45 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 1wnr n ASN 50 Cb 0.01 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 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 -0.12 2.43 3.60 4.83 0.00 0.12 -5.01 105.19 111.04 1wnr n GLY 51 Ca 0.14 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 1.38 -3.77 1.61 6.02 -1.25 -4.41 117.38 116.95 1wnr n GLN 52 Ca 0.00 0.49 -0.36 0.00 -0.01 0.00 0.00 57.00 57.11 1wnr n GLN 52 Cb 0.00 -1.92 -0.13 0.00 1.02 0.00 0.00 30.24 29.21 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 -1.12 3.59 -0.41 -1.09 3.52 -1.26 0.93 118.95 123.10 1wnr s ARG 53 Ca 0.63 -0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 55.49 1wnr s ARG 53 Cb -0.73 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 29.39 1wnr s ARG 53 CO 0.57 -0.20 0.74 0.08 -0.81 0.00 0.00 175.30 175.68 1wnr s VAL 54 N 1.59 4.73 0.95 7.11 1.01 0.95 -4.95 120.40 131.79 1wnr s VAL 54 Ca 0.06 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1wnr s VAL 54 Cb -0.15 -4.24 0.17 0.00 0.00 0.00 0.00 36.38 32.15 1wnr s VAL 54 CO 0.03 -0.57 1.13 -2.84 0.00 0.00 0.00 175.10 172.84 1wnr s PRO 55 N 3.09 0.73 0.61 2.72 0.02 -1.26 -2.00 135.00 138.91 1wnr s PRO 55 Ca 0.28 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.57 1wnr s PRO 55 Cb -0.13 -1.70 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 1wnr s PRO 55 CO 0.20 -2.79 1.07 -0.51 -0.33 0.00 0.00 177.00 174.64 1wnr s LEU 56 N -6.69 3.48 0.00 -5.54 1.43 -1.26 -4.83 118.68 105.27 1wnr s LEU 56 Ca 0.67 1.87 0.16 0.00 -1.03 0.00 0.00 54.13 55.80 1wnr s LEU 56 Cb -0.23 -4.54 0.46 0.00 0.03 0.00 0.00 46.19 41.91 1wnr s LEU 56 CO 0.59 -1.29 1.37 1.21 0.23 0.00 0.00 176.35 178.47 1wnr n GLU 57 N -2.11 2.05 -4.45 1.70 2.13 -1.26 -4.87 120.64 113.83 1wnr n GLU 57 Ca 0.09 -1.62 -0.22 0.00 0.66 0.00 0.00 57.16 56.07 1wnr n GLU 57 Cb 0.53 -1.37 -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 -1.44 1.80 0.23 6.31 -7.23 -1.26 -5.11 120.40 113.70 1wnr s VAL 58 Ca 0.32 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1wnr s VAL 58 Cb 0.17 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1wnr s VAL 58 CO 0.22 -0.28 0.10 -1.59 -0.31 0.00 0.00 175.10 173.23 1wnr s LYS 59 N -3.69 1.31 0.37 4.82 -2.85 -1.26 -5.00 119.74 113.43 1wnr s LYS 59 Ca 0.30 -1.69 -0.28 0.00 -1.00 0.00 0.00 55.97 53.30 1wnr s LYS 59 Cb 0.03 -0.10 -0.11 0.00 -2.06 0.00 0.00 37.83 35.59 1wnr s LYS 59 CO 0.13 -0.30 1.45 0.39 0.10 0.00 0.00 175.35 177.11 1wnr n GLU 60 N -0.38 2.56 0.00 1.78 1.02 -1.26 -2.29 120.64 122.07 1wnr n GLU 60 Ca -0.00 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 1wnr n GLU 60 Cb 0.66 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 0.53 2.91 3.72 0.62 0.00 0.50 -4.98 105.19 108.49 1wnr n GLY 61 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.59 -4.55 1.61 10.43 -0.97 -4.64 116.55 122.02 1wnr n ASP 62 Ca 0.00 1.12 -0.42 0.00 2.57 0.00 0.00 54.79 58.07 1wnr n ASP 62 Cb 0.00 -1.54 -0.08 0.00 1.84 0.00 0.00 41.12 41.34 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 0.29 4.99 0.21 0.53 -1.09 -1.26 -0.90 121.20 123.97 1wnr s ILE 63 Ca 0.68 0.31 0.07 0.00 -2.23 0.00 0.00 60.65 59.48 1wnr s ILE 63 Cb -0.55 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.29 1wnr s ILE 63 CO 0.45 -0.27 0.11 0.68 -1.23 0.00 0.00 174.94 174.67 1wnr s VAL 64 N 2.45 4.21 -0.21 2.92 -7.23 -0.08 -0.36 120.40 122.10 1wnr s VAL 64 Ca 0.19 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1wnr s VAL 64 Cb -0.15 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1wnr s VAL 64 CO 0.14 -0.22 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.00 1wnr s VAL 65 N -1.93 3.69 0.10 1.32 1.01 0.70 -1.72 120.40 123.57 1wnr s VAL 65 Ca 0.31 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1wnr s VAL 65 Cb -0.09 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1wnr s VAL 65 CO 0.23 0.42 -0.14 0.72 0.00 0.00 0.00 175.10 176.33 1wnr s PHE 66 N 1.21 1.31 -0.13 5.22 -0.12 0.10 -0.95 117.98 124.62 1wnr s PHE 66 Ca 0.03 -0.52 -0.40 0.00 -0.05 0.00 0.00 56.93 55.99 1wnr s PHE 66 Cb -0.14 -0.71 -0.18 0.00 -0.63 0.00 0.00 43.02 41.36 1wnr s PHE 66 CO 0.00 0.10 1.46 0.00 -0.05 0.00 0.00 175.22 176.72 1wnr n ALA 67 N 0.86 -1.30 -1.74 1.99 0.00 -1.13 -1.07 120.51 118.12 1wnr n ALA 67 Ca -0.18 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 1wnr n ALA 67 Cb 0.56 -2.04 0.05 0.00 0.00 0.00 0.00 19.45 18.02 1wnr n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wnr s LYS 68 N 1.73 2.80 0.00 0.00 2.20 -1.26 -0.97 119.74 124.24 1wnr s LYS 68 Ca 0.93 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 1wnr s LYS 68 Cb -1.13 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1wnr s LYS 68 CO 0.60 -1.40 0.00 0.66 -0.36 0.00 0.00 175.35 174.85 1wnr n TYR 69 N -1.61 0.00 -3.21 4.03 0.53 -1.26 -4.96 117.16 110.67 1wnr n TYR 69 Ca 0.14 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.74 1wnr n TYR 69 Cb 0.48 -1.79 -0.03 0.00 -1.03 0.00 0.00 39.34 36.97 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 1.76 0.21 2.72 0.00 -0.15 -4.99 107.32 104.87 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 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1wnr n GLY 71 N -1.24 -2.02 3.48 0.20 0.00 -1.26 -4.91 105.19 99.45 1wnr n GLY 71 Ca -0.01 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.23 4.16 0.19 2.61 2.01 -0.10 -4.91 115.64 117.37 1wnr s THR 72 Ca 0.00 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1wnr s THR 72 Cb 0.00 -2.89 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 1wnr s THR 72 CO 0.00 0.42 1.02 -1.61 -0.69 0.00 0.00 174.62 173.76 1wnr s GLU 73 N 0.94 4.70 -0.08 4.92 0.41 -1.26 -0.75 118.70 127.58 1wnr s GLU 73 Ca 0.02 1.59 -0.04 0.00 -0.41 0.00 0.00 54.97 56.14 1wnr s GLU 73 Cb -0.14 -3.29 0.04 0.00 -1.78 0.00 0.00 34.13 28.96 1wnr s GLU 73 CO 0.02 0.26 0.18 -1.50 -0.49 0.00 0.00 175.26 173.73 1wnr s ILE 74 N -0.57 -0.13 -0.01 -1.63 1.10 -0.73 -4.96 121.20 114.27 1wnr s ILE 74 Ca 0.46 0.22 0.01 0.00 -0.51 0.00 0.00 60.65 60.83 1wnr s ILE 74 Cb -0.27 -0.30 -0.04 0.00 0.15 0.00 0.00 42.46 42.01 1wnr s ILE 74 CO 0.34 0.09 0.02 -0.70 -2.11 0.00 0.00 174.94 172.58 1wnr s GLU 75 N 1.55 2.88 -0.24 3.50 2.12 -1.26 -0.52 118.70 126.74 1wnr s GLU 75 Ca -0.06 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 1wnr s GLU 75 Cb -0.12 -2.74 0.13 0.00 0.26 0.00 0.00 34.13 31.67 1wnr s GLU 75 CO -0.07 0.64 0.44 0.42 -0.54 0.00 0.00 175.26 176.16 1wnr s ILE 76 N -1.09 -0.70 -1.10 -3.70 1.01 0.72 -4.91 121.20 111.42 1wnr s ILE 76 Ca 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 1wnr s ILE 76 Cb -0.12 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1wnr s ILE 76 CO 0.10 -0.04 0.95 0.47 0.00 0.00 0.00 174.94 176.43 1wnr n ASP 77 N 5.39 -4.57 0.00 3.58 8.00 -1.26 -2.19 116.55 125.49 1wnr n ASP 77 Ca -0.05 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1wnr n ASP 77 Cb 0.50 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 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 -1.57 1.98 3.87 0.44 0.00 -1.26 -4.99 105.19 103.66 1wnr n GLY 78 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.05 3.61 -0.11 1.61 0.41 -0.93 -5.09 118.70 118.14 1wnr s GLU 79 Ca 0.00 0.02 -0.02 0.00 -0.41 0.00 0.00 54.97 54.55 1wnr s GLU 79 Cb 0.00 -3.15 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1wnr s GLU 79 CO 0.00 0.70 -0.01 -1.21 -0.49 0.00 0.00 175.26 174.25 1wnr s GLU 80 N -1.35 3.21 0.33 1.61 2.02 -1.26 -0.20 118.70 123.05 1wnr s GLU 80 Ca 0.22 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.80 1wnr s GLU 80 Cb -0.14 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1wnr s GLU 80 CO 0.11 0.55 0.11 0.71 0.02 0.00 0.00 175.26 176.77 1wnr s TYR 81 N -0.47 1.73 -0.05 1.61 1.51 0.32 -4.50 117.35 117.50 1wnr s TYR 81 Ca 0.08 -1.20 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 1wnr s TYR 81 Cb -0.12 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1wnr s TYR 81 CO 0.02 -0.29 0.02 0.08 -1.11 0.00 0.00 175.55 174.28 1wnr s VAL 82 N -3.46 0.14 -0.10 0.71 1.01 -0.81 -1.77 120.40 116.12 1wnr s VAL 82 Ca 0.33 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1wnr s VAL 82 Cb 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1wnr s VAL 82 CO 0.15 0.20 0.51 -0.63 0.00 0.00 0.00 175.10 175.33 1wnr s ILE 83 N 1.79 5.14 0.03 2.22 1.01 0.07 -1.44 121.20 130.02 1wnr s ILE 83 Ca 0.01 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.71 1wnr s ILE 83 Cb -0.12 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1wnr s ILE 83 CO -0.03 0.34 -0.06 -0.76 0.00 0.00 0.00 174.94 174.42 1wnr s LEU 84 N 0.50 2.23 0.43 2.97 1.43 -0.13 -0.93 118.68 125.18 1wnr s LEU 84 Ca 0.28 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 1wnr s LEU 84 Cb -0.16 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.91 1wnr s LEU 84 CO 0.12 -0.21 0.83 -0.44 0.23 0.00 0.00 176.35 176.87 1wnr s SER 85 N -1.42 6.56 0.43 2.29 0.01 -1.26 -0.49 113.70 119.82 1wnr s SER 85 Ca -0.11 1.26 0.11 0.00 1.31 0.00 0.00 55.95 58.52 1wnr s SER 85 Cb -0.09 -2.38 0.92 0.00 0.21 0.00 0.00 66.02 64.68 1wnr s SER 85 CO -0.00 -0.44 1.99 -0.08 0.41 0.00 0.00 173.24 175.13 1wnr h GLU 86 N 1.23 0.20 0.00 12.44 4.81 -1.57 -0.73 114.58 130.96 1wnr h GLU 86 Ca -0.47 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wnr h GLU 86 Cb 1.19 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1wnr h GLU 86 CO 0.63 0.27 -0.02 0.07 -0.73 0.00 0.00 179.01 179.24 1wnr h ARG 87 N 0.20 0.00 -0.00 1.92 0.11 -1.93 -2.24 114.38 112.43 1wnr h ARG 87 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1wnr h ARG 87 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1wnr h ARG 87 CO 0.01 0.02 -0.19 -0.25 0.10 0.00 0.00 179.97 179.66 1wnr n ASP 88 N -3.14 0.62 -4.46 0.08 9.92 -0.28 -4.72 116.55 114.56 1wnr n ASP 88 Ca -0.01 -0.57 -0.43 0.00 -0.53 0.00 0.00 54.79 53.25 1wnr n ASP 88 Cb 0.23 -0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.66 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 -2.57 4.73 0.03 0.64 1.43 -0.84 -2.85 118.68 119.25 1wnr s LEU 89 Ca 0.25 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 1wnr s LEU 89 Cb 0.19 -2.53 -0.17 0.00 0.03 0.00 0.00 46.19 43.71 1wnr s LEU 89 CO 0.52 -1.05 1.33 -0.07 0.23 0.00 0.00 176.35 177.30 1wnr h LEU 90 N 10.22 -0.87 -8.01 1.79 4.07 -1.33 -3.49 115.31 117.69 1wnr h LEU 90 Ca -0.27 0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.73 1wnr h LEU 90 Cb 1.09 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 43.02 1wnr h LEU 90 CO 1.03 -0.53 0.23 0.00 -1.08 0.00 0.00 178.44 178.10 1wnr s ALA 91 N -5.42 -1.03 -0.18 1.53 0.00 -1.19 -5.00 121.76 110.47 1wnr s ALA 91 Ca -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1wnr s ALA 91 Cb 0.02 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1wnr s ALA 91 CO 0.51 -1.02 -0.05 0.08 0.00 0.00 0.00 175.76 175.29 1wnr s VAL 92 N -3.39 3.55 -0.24 0.00 1.01 -1.26 -0.22 120.40 119.85 1wnr s VAL 92 Ca 0.13 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1wnr s VAL 92 Cb -0.06 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1wnr s VAL 92 CO 0.09 0.46 0.62 -0.76 0.00 0.00 0.00 175.10 175.51 1wnr s LEU 93 N 0.84 4.08 0.00 3.92 1.43 0.51 -4.99 118.68 124.47 1wnr s LEU 93 Ca -0.01 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1wnr s LEU 93 Cb -0.15 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1wnr s LEU 93 CO 0.01 -0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.25