#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 5.19 -0.35 1.12 1.01 -1.26 -5.04 121.20 121.87 1wnr s ILE 2 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1wnr s ILE 2 Cb 0.00 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.79 1wnr s ILE 2 CO 0.00 0.28 0.08 -0.75 0.00 0.00 0.00 174.94 174.56 1wnr s LYS 3 N 1.00 1.94 0.59 2.79 2.20 -1.26 -4.85 119.74 122.14 1wnr s LYS 3 Ca 0.22 -1.68 -0.20 0.00 -0.36 0.00 0.00 55.97 53.95 1wnr s LYS 3 Cb -0.15 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1wnr s LYS 3 CO 0.09 -0.89 1.34 -2.14 -0.36 0.00 0.00 175.35 173.39 1wnr s PRO 4 N 1.08 2.89 -0.02 4.03 0.02 -1.26 -4.98 135.00 136.76 1wnr s PRO 4 Ca 0.05 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.24 1wnr s PRO 4 Cb -0.21 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1wnr s PRO 4 CO -0.05 -1.37 0.14 -0.51 -0.33 0.00 0.00 177.00 174.88 1wnr s LEU 5 N -3.86 4.20 0.00 -5.54 1.43 -1.26 -4.29 118.68 109.36 1wnr s LEU 5 Ca 0.76 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1wnr s LEU 5 Cb -0.40 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1wnr s LEU 5 CO 0.45 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.92 1wnr n GLY 6 N 1.11 3.02 1.79 -3.19 0.00 -1.26 -3.16 105.19 103.49 1wnr n GLY 6 Ca -0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 5.17 6.06 -4.57 1.61 2.03 -1.20 -0.09 116.55 125.55 1wnr n ASP 7 Ca 0.00 -2.91 -0.27 0.00 0.52 0.00 0.00 54.79 52.13 1wnr n ASP 7 Cb 0.00 -1.05 -0.11 0.00 -0.72 0.00 0.00 41.12 39.25 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 -1.43 1.87 0.03 -0.67 0.52 -1.19 -1.23 118.95 116.85 1wnr s ARG 8 Ca 0.24 -2.00 -0.04 0.00 -0.52 0.00 0.00 55.73 53.42 1wnr s ARG 8 Cb 0.19 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 1wnr s ARG 8 CO -0.00 0.07 0.05 0.14 0.02 0.00 0.00 175.30 175.57 1wnr s VAL 9 N -2.66 0.14 -0.22 3.52 -7.23 0.31 0.13 120.40 114.38 1wnr s VAL 9 Ca 0.33 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1wnr s VAL 9 Cb 0.05 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.20 1wnr s VAL 9 CO 0.17 -0.62 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.60 1wnr s VAL 10 N -2.41 3.25 0.08 1.32 1.01 0.23 -1.32 120.40 122.57 1wnr s VAL 10 Ca -0.07 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1wnr s VAL 10 Cb -0.03 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1wnr s VAL 10 CO -0.04 0.40 -0.26 0.68 0.00 0.00 0.00 175.10 175.88 1wnr s VAL 11 N 1.45 2.18 -0.24 2.92 -7.23 -0.02 -0.01 120.40 119.45 1wnr s VAL 11 Ca 0.05 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 1wnr s VAL 11 Cb -0.14 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1wnr s VAL 11 CO -0.04 0.23 0.33 -0.75 -0.31 0.00 0.00 175.10 174.56 1wnr s LYS 12 N -1.62 4.08 1.00 4.82 2.20 0.21 -0.69 119.74 129.74 1wnr s LYS 12 Ca 0.13 0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.64 1wnr s LYS 12 Cb -0.10 -3.59 0.19 0.00 -1.51 0.00 0.00 37.83 32.82 1wnr s LYS 12 CO 0.04 -0.12 1.09 0.50 -0.36 0.00 0.00 175.35 176.50 1wnr s ARG 13 N 1.59 0.40 -0.07 4.03 3.52 -1.26 -0.26 118.95 126.90 1wnr s ARG 13 Ca 0.14 1.16 0.01 0.00 -0.13 0.00 0.00 55.73 56.92 1wnr s ARG 13 Cb -0.15 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.58 1wnr s ARG 13 CO 0.08 -2.93 -0.08 0.42 -0.81 0.00 0.00 175.30 171.98 1wnr s ILE 14 N -2.64 0.88 0.16 4.11 1.01 -0.72 -4.73 121.20 119.27 1wnr s ILE 14 Ca 0.67 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1wnr s ILE 14 Cb -0.23 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.31 1wnr s ILE 14 CO 0.60 0.31 1.06 -1.61 0.00 0.00 0.00 174.94 175.31 1wnr s GLU 15 N 1.06 4.62 0.81 2.79 2.02 -1.26 -4.49 118.70 124.26 1wnr s GLU 15 Ca -0.08 1.65 -0.11 0.00 0.02 0.00 0.00 54.97 56.46 1wnr s GLU 15 Cb -0.14 -3.30 0.08 0.00 0.10 0.00 0.00 34.13 30.87 1wnr s GLU 15 CO -0.01 0.12 1.10 -2.00 0.02 0.00 0.00 175.26 174.49 1wnr s GLU 16 N -0.30 1.93 0.15 1.61 2.56 -1.26 -4.98 118.70 118.41 1wnr s GLU 16 Ca 0.49 1.19 -0.30 0.00 0.00 0.00 0.00 54.97 56.35 1wnr s GLU 16 Cb -0.28 -1.86 -0.07 0.00 2.00 0.00 0.00 34.13 33.92 1wnr s GLU 16 CO 0.34 -1.88 1.14 -1.21 -0.56 0.00 0.00 175.26 173.08 1wnr s GLU 17 N -4.86 4.53 0.37 4.30 0.41 -1.26 -5.00 118.70 117.19 1wnr s GLU 17 Ca 0.62 1.77 -0.27 0.00 -0.41 0.00 0.00 54.97 56.68 1wnr s GLU 17 Cb -0.18 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.79 1wnr s GLU 17 CO 0.57 -0.04 1.26 -2.14 -0.49 0.00 0.00 175.26 174.42 1wnr s PRO 18 N -0.03 4.15 -0.04 0.39 0.02 -1.26 -5.03 135.00 133.20 1wnr s PRO 18 Ca 0.52 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.51 1wnr s PRO 18 Cb -0.30 -2.87 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1wnr s PRO 18 CO 0.34 -0.32 0.32 0.15 -0.33 0.00 0.00 177.00 177.17 1wnr s LYS 19 N -2.06 3.76 -0.07 5.54 1.02 -1.26 -5.02 119.74 121.65 1wnr s LYS 19 Ca 0.54 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.77 1wnr s LYS 19 Cb -0.37 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 1wnr s LYS 19 CO 0.48 0.72 -0.08 0.95 -0.92 0.00 0.00 175.35 176.49 1wnr s THR 20 N -1.07 0.86 -0.24 2.17 -4.23 -1.26 -0.38 115.64 111.49 1wnr s THR 20 Ca 0.21 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.55 1wnr s THR 20 Cb -0.15 -0.84 0.46 0.00 1.34 0.00 0.00 72.50 73.31 1wnr s THR 20 CO 0.10 0.31 1.36 1.17 -0.54 0.00 0.00 174.62 177.02 1wnr n LYS 21 N 4.17 1.81 0.00 3.99 4.81 -1.26 -4.85 118.16 126.83 1wnr n LYS 21 Ca -0.21 -3.13 0.00 0.00 -0.87 0.00 0.00 58.31 54.10 1wnr n LYS 21 Cb 0.51 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1wnr n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wnr n GLY 22 N -1.10 3.23 0.00 3.14 0.00 -1.26 -4.96 105.19 104.25 1wnr n GLY 22 Ca 0.26 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1wnr n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnr n GLY 23 N 0.00 0.78 2.69 -0.02 0.00 -1.26 -5.08 105.19 102.30 1wnr n GLY 23 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1wnr n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wnr n ILE 24 N 0.00 0.00 0.00 -0.61 3.06 -1.26 -4.70 119.36 115.85 1wnr n ILE 24 Ca 0.00 -0.78 0.00 0.00 -2.50 0.00 0.00 62.75 59.47 1wnr n ILE 24 Cb 0.00 1.08 0.00 0.00 0.54 0.00 0.00 39.64 41.26 1wnr n ILE 24 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1wnr n VAL 25 N 1.80 0.00 -0.93 9.51 0.31 0.49 -4.85 118.33 124.66 1wnr n VAL 25 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1wnr n VAL 25 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 1wnr n VAL 25 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wnr n PRO 34 N 0.00 0.00 -4.35 5.55 -0.02 -1.26 -4.89 135.00 130.03 1wnr n PRO 34 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1wnr n PRO 34 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.94 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 -2.39 1.85 0.13 -0.52 -1.52 -0.41 -4.87 119.66 111.93 1wnr s GLN 35 Ca 0.00 -1.40 0.08 0.00 -1.95 0.00 0.00 55.36 52.09 1wnr s GLN 35 Cb 0.00 -2.02 -0.04 0.00 -0.22 0.00 0.00 33.01 30.73 1wnr s GLN 35 CO 0.00 0.41 -0.13 0.15 -0.25 0.00 0.00 175.29 175.47 1wnr s LYS 36 N -2.85 1.98 0.04 2.91 1.02 -1.26 -1.43 119.74 120.16 1wnr s LYS 36 Ca 0.24 -1.14 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 1wnr s LYS 36 Cb -0.08 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1wnr s LYS 36 CO 0.13 0.48 0.75 0.20 -0.92 0.00 0.00 175.35 176.00 1wnr s GLY 37 N -2.34 -0.53 -0.23 -3.33 0.00 -0.67 -1.76 107.32 98.45 1wnr s GLY 37 Ca 0.21 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.77 1wnr s GLY 37 CO 0.13 0.41 0.13 1.25 0.00 0.00 0.00 173.10 175.02 1wnr s LYS 38 N -2.93 3.99 -0.07 2.90 2.20 0.64 -1.16 119.74 125.30 1wnr s LYS 38 Ca 0.01 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1wnr s LYS 38 Cb -0.01 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1wnr s LYS 38 CO -0.07 0.05 1.34 0.08 -0.36 0.00 0.00 175.35 176.39 1wnr s VAL 39 N 1.06 4.00 -0.26 4.02 1.01 -0.12 -0.62 120.40 129.49 1wnr s VAL 39 Ca 0.06 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1wnr s VAL 39 Cb -0.14 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1wnr s VAL 39 CO 0.04 -0.05 0.31 2.30 0.00 0.00 0.00 175.10 177.69 1wnr n ILE 40 N 4.99 0.00 -3.62 2.22 -5.35 0.98 0.17 119.36 118.75 1wnr n ILE 40 Ca 0.13 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 1wnr n ILE 40 Cb 0.44 0.73 -0.07 0.00 -1.74 0.00 0.00 39.64 39.01 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 -2.13 -1.84 0.04 -1.28 0.00 -1.06 -4.91 121.76 110.59 1wnr s ALA 41 Ca 0.01 1.91 0.05 0.00 0.00 0.00 0.00 51.96 53.93 1wnr s ALA 41 Cb 0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1wnr s ALA 41 CO 0.37 -0.31 -0.15 0.14 0.00 0.00 0.00 175.76 175.80 1wnr s VAL 42 N 0.14 1.23 0.01 0.00 -7.23 -1.26 0.74 120.40 114.03 1wnr s VAL 42 Ca -0.00 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1wnr s VAL 42 Cb -0.04 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1wnr s VAL 42 CO -0.00 0.03 0.02 0.61 -0.31 0.00 0.00 175.10 175.44 1wnr n GLY 43 N 1.84 -1.60 0.06 2.32 0.00 0.35 -4.65 105.19 103.51 1wnr n GLY 43 Ca -0.18 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.21 0.00 0.00 2.61 -2.24 -0.57 -4.70 114.28 107.17 1wnr n THR 44 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wnr n THR 44 Cb 0.01 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.43 0.70 3.82 3.38 0.00 0.87 -4.46 105.19 110.93 1wnr n GLY 45 Ca 0.09 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.56 3.44 0.03 1.61 3.52 -1.12 -3.25 118.95 121.62 1wnr s ARG 46 Ca 0.00 1.08 0.05 0.00 -0.13 0.00 0.00 55.73 56.73 1wnr s ARG 46 Cb 0.00 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.30 1wnr s ARG 46 CO 0.00 -0.70 -0.11 0.08 -0.81 0.00 0.00 175.30 173.76 1wnr s VAL 47 N -2.61 3.34 0.25 7.11 1.01 -1.26 -0.50 120.40 127.74 1wnr s VAL 47 Ca 0.61 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1wnr s VAL 47 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1wnr s VAL 47 CO 0.39 0.33 0.23 -0.76 0.00 0.00 0.00 175.10 175.29 1wnr s LEU 48 N -1.54 3.90 0.65 3.92 1.43 0.24 -4.95 118.68 122.32 1wnr s LEU 48 Ca 0.17 -0.20 0.36 0.00 -1.03 0.00 0.00 54.13 53.42 1wnr s LEU 48 Cb -0.11 -2.44 1.95 0.00 0.03 0.00 0.00 46.19 45.63 1wnr s LEU 48 CO 0.08 -0.06 2.10 -0.33 0.23 0.00 0.00 176.35 178.36 1wnr h GLU 49 N 1.42 0.00 -0.31 1.70 4.39 -2.01 0.28 114.58 120.06 1wnr h GLU 49 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1wnr h GLU 49 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1wnr h GLU 49 CO 0.61 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.73 1wnr n ASN 50 N -2.94 2.10 0.00 1.42 6.94 -1.26 -4.91 115.26 116.61 1wnr n ASN 50 Ca -0.02 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 1wnr n ASN 50 Cb 0.24 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 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 1.18 3.11 3.77 4.83 0.00 1.00 -5.04 105.19 114.04 1wnr n GLY 51 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 3.71 -0.26 1.61 -0.21 -1.25 -4.60 119.66 118.29 1wnr s GLN 52 Ca 0.00 2.34 -0.05 0.00 0.02 0.00 0.00 55.36 57.67 1wnr s GLN 52 Cb 0.00 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1wnr s GLN 52 CO 0.00 -0.77 0.01 0.50 -2.12 0.00 0.00 175.29 172.91 1wnr s ARG 53 N -2.44 3.21 -0.25 2.91 3.52 -1.26 0.80 118.95 125.43 1wnr s ARG 53 Ca 0.61 -0.75 -0.24 0.00 -0.13 0.00 0.00 55.73 55.22 1wnr s ARG 53 Cb -0.42 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1wnr s ARG 53 CO 0.54 -0.32 0.80 0.08 -0.81 0.00 0.00 175.30 175.58 1wnr s VAL 54 N 1.48 4.85 0.66 7.11 1.01 0.35 -4.95 120.40 130.91 1wnr s VAL 54 Ca 0.04 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.30 1wnr s VAL 54 Cb -0.16 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1wnr s VAL 54 CO -0.01 -0.09 1.26 -2.84 0.00 0.00 0.00 175.10 173.43 1wnr s PRO 55 N 2.82 2.50 0.44 2.72 0.02 -1.26 -2.80 135.00 139.44 1wnr s PRO 55 Ca 0.33 1.96 -0.24 0.00 0.02 0.00 0.00 61.00 63.08 1wnr s PRO 55 Cb -0.15 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1wnr s PRO 55 CO 0.08 -1.61 1.16 -0.51 -0.33 0.00 0.00 177.00 175.79 1wnr s LEU 56 N -4.52 4.06 0.00 -5.54 1.43 -1.26 -4.91 118.68 107.94 1wnr s LEU 56 Ca 0.80 2.29 0.29 0.00 -1.03 0.00 0.00 54.13 56.48 1wnr s LEU 56 Cb -0.35 -4.19 1.57 0.00 0.03 0.00 0.00 46.19 43.25 1wnr s LEU 56 CO 0.40 -0.83 2.03 1.21 0.23 0.00 0.00 176.35 179.39 1wnr n GLU 57 N -0.33 1.18 -4.49 1.70 2.13 -1.26 -4.82 120.64 114.75 1wnr n GLU 57 Ca 0.06 -0.27 -0.24 0.00 0.66 0.00 0.00 57.16 57.38 1wnr n GLU 57 Cb 0.48 -1.46 -0.10 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.99 2.18 0.30 6.31 -7.23 -1.26 -5.09 120.40 113.62 1wnr s VAL 58 Ca 0.43 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1wnr s VAL 58 Cb 0.20 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1wnr s VAL 58 CO 0.34 -0.30 0.14 -1.59 -0.31 0.00 0.00 175.10 173.38 1wnr s LYS 59 N -3.60 1.58 0.30 4.82 -2.85 -1.26 -5.00 119.74 113.72 1wnr s LYS 59 Ca 0.31 -1.89 -0.29 0.00 -1.00 0.00 0.00 55.97 53.09 1wnr s LYS 59 Cb 0.00 -0.20 -0.11 0.00 -2.06 0.00 0.00 37.83 35.47 1wnr s LYS 59 CO 0.15 -0.41 1.46 -1.21 0.10 0.00 0.00 175.35 175.44 1wnr s GLU 60 N -3.86 4.22 0.00 1.78 2.02 -1.26 -2.49 118.70 119.10 1wnr s GLU 60 Ca 0.35 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.74 1wnr s GLU 60 Cb 0.06 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1wnr s GLU 60 CO 0.16 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1wnr n GLY 61 N 1.64 3.10 3.35 -1.39 0.00 0.13 -4.99 105.19 107.02 1wnr n GLY 61 Ca 0.05 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 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 1.11 -2.09 -4.56 1.61 9.92 -1.04 -4.35 116.55 117.15 1wnr n ASP 62 Ca 0.00 0.93 -0.35 0.00 -0.53 0.00 0.00 54.79 54.84 1wnr n ASP 62 Cb 0.00 -0.93 -0.11 0.00 -0.64 0.00 0.00 41.12 39.44 1wnr n ASP 62 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wnr s ILE 63 N -1.43 4.58 0.19 0.53 -1.09 -1.26 -0.95 121.20 121.77 1wnr s ILE 63 Ca 0.61 -0.10 0.11 0.00 -2.23 0.00 0.00 60.65 59.04 1wnr s ILE 63 Cb -0.73 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1wnr s ILE 63 CO 0.60 0.41 -0.22 0.68 -1.23 0.00 0.00 174.94 175.18 1wnr s VAL 64 N 0.84 2.25 -0.12 2.92 -7.23 -0.31 0.12 120.40 118.87 1wnr s VAL 64 Ca 0.03 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1wnr s VAL 64 Cb -0.14 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1wnr s VAL 64 CO 0.02 -0.18 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.94 1wnr s VAL 65 N -1.82 4.25 0.03 1.32 1.01 0.48 -1.67 120.40 123.99 1wnr s VAL 65 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wnr s VAL 65 Cb -0.07 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 1wnr s VAL 65 CO 0.10 0.55 0.14 0.72 0.00 0.00 0.00 175.10 176.60 1wnr s PHE 66 N -0.30 0.11 0.14 5.22 -0.12 -0.51 -1.20 117.98 121.31 1wnr s PHE 66 Ca 0.06 -0.32 -0.33 0.00 -0.05 0.00 0.00 56.93 56.29 1wnr s PHE 66 Cb -0.12 -0.08 -0.17 0.00 -0.63 0.00 0.00 43.02 42.02 1wnr s PHE 66 CO 0.02 -0.36 1.00 0.00 -0.05 0.00 0.00 175.22 175.83 1wnr n ALA 67 N 0.94 -1.86 -1.77 1.99 0.00 -1.23 -1.28 120.51 117.30 1wnr n ALA 67 Ca -0.20 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 1wnr n ALA 67 Cb 0.58 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.47 4.39 0.00 0.00 2.20 -1.26 -2.14 119.74 122.45 1wnr s LYS 68 Ca 0.75 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1wnr s LYS 68 Cb -0.96 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1wnr s LYS 68 CO 0.54 -0.05 0.00 0.66 -0.36 0.00 0.00 175.35 176.15 1wnr n TYR 69 N 0.72 0.00 -2.48 4.03 0.53 -1.26 -4.97 117.16 113.73 1wnr n TYR 69 Ca 0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.56 1wnr n TYR 69 Cb 0.45 -0.16 -0.03 0.00 -1.03 0.00 0.00 39.34 38.56 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 2.32 0.00 2.72 0.00 -0.91 -4.93 107.32 104.52 1wnr s GLY 70 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1wnr s GLY 70 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.45 1wnr n GLY 71 N -0.73 -0.42 3.28 0.20 0.00 -1.26 -4.95 105.19 101.30 1wnr n GLY 71 Ca 0.08 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.34 2.81 0.03 2.61 2.01 -0.49 -4.95 115.64 116.32 1wnr s THR 72 Ca 0.00 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1wnr s THR 72 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1wnr s THR 72 CO 0.00 0.50 0.94 -1.61 -0.69 0.00 0.00 174.62 173.76 1wnr s GLU 73 N 0.92 4.59 -0.08 4.92 0.41 -1.26 -0.73 118.70 127.48 1wnr s GLU 73 Ca -0.03 1.37 -0.03 0.00 -0.41 0.00 0.00 54.97 55.87 1wnr s GLU 73 Cb -0.15 -3.43 0.04 0.00 -1.78 0.00 0.00 34.13 28.81 1wnr s GLU 73 CO -0.01 0.06 0.06 -1.50 -0.49 0.00 0.00 175.26 173.38 1wnr s ILE 74 N 0.60 -0.04 0.12 -1.63 1.10 -0.69 -4.98 121.20 115.69 1wnr s ILE 74 Ca 0.48 0.23 -0.19 0.00 -0.51 0.00 0.00 60.65 60.67 1wnr s ILE 74 Cb -0.21 -0.31 -0.07 0.00 0.15 0.00 0.00 42.46 42.01 1wnr s ILE 74 CO 0.28 0.07 0.60 -0.70 -2.11 0.00 0.00 174.94 173.07 1wnr s GLU 75 N 2.13 4.19 -0.26 3.50 2.12 -1.26 -1.59 118.70 127.53 1wnr s GLU 75 Ca 0.04 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 56.10 1wnr s GLU 75 Cb -0.13 -3.12 0.15 0.00 0.26 0.00 0.00 34.13 31.29 1wnr s GLU 75 CO -0.05 0.56 0.39 0.42 -0.54 0.00 0.00 175.26 176.05 1wnr s ILE 76 N -1.25 -0.62 -0.63 -3.70 1.01 0.19 -4.91 121.20 111.28 1wnr s ILE 76 Ca 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.82 1wnr s ILE 76 Cb -0.18 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1wnr s ILE 76 CO 0.20 -0.19 0.53 0.47 0.00 0.00 0.00 174.94 175.94 1wnr n ASP 77 N 5.36 -2.09 0.00 3.58 8.00 -1.26 -2.68 116.55 127.46 1wnr n ASP 77 Ca -0.02 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1wnr n ASP 77 Cb 0.50 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 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 -1.08 0.41 3.85 0.44 0.00 -1.26 -4.92 105.19 102.64 1wnr n GLY 78 Ca -0.15 0.00 -0.37 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 -0.46 3.63 0.05 1.61 0.41 -1.09 -5.09 118.70 117.76 1wnr s GLU 79 Ca 0.00 0.00 0.02 0.00 -0.41 0.00 0.00 54.97 54.58 1wnr s GLU 79 Cb 0.00 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 1wnr s GLU 79 CO 0.00 0.71 0.08 -1.21 -0.49 0.00 0.00 175.26 174.34 1wnr s GLU 80 N -0.90 2.94 0.19 1.61 2.02 -1.26 0.55 118.70 123.85 1wnr s GLU 80 Ca 0.17 -0.62 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1wnr s GLU 80 Cb -0.13 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1wnr s GLU 80 CO 0.06 0.59 0.20 0.71 0.02 0.00 0.00 175.26 176.84 1wnr s TYR 81 N -1.31 0.88 -0.07 1.61 1.51 -0.62 -4.65 117.35 114.70 1wnr s TYR 81 Ca 0.27 -1.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1wnr s TYR 81 Cb -0.12 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1wnr s TYR 81 CO 0.19 -0.69 -0.13 0.08 -1.11 0.00 0.00 175.55 173.89 1wnr s VAL 82 N -4.09 1.19 -0.27 0.71 1.01 0.13 -1.70 120.40 117.38 1wnr s VAL 82 Ca 0.31 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1wnr s VAL 82 Cb 0.05 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1wnr s VAL 82 CO 0.08 0.37 0.24 -0.63 0.00 0.00 0.00 175.10 175.16 1wnr s ILE 83 N 0.67 5.28 0.12 2.22 1.01 0.10 -0.84 121.20 129.76 1wnr s ILE 83 Ca -0.14 0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1wnr s ILE 83 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1wnr s ILE 83 CO 0.04 0.24 -0.17 -0.76 0.00 0.00 0.00 174.94 174.29 1wnr s LEU 84 N 1.73 2.36 0.26 2.97 1.43 -0.43 -1.40 118.68 125.60 1wnr s LEU 84 Ca 0.09 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1wnr s LEU 84 Cb -0.16 -0.68 -0.08 0.00 0.03 0.00 0.00 46.19 45.30 1wnr s LEU 84 CO 0.10 -0.06 0.62 -0.55 0.23 0.00 0.00 176.35 176.68 1wnr s SER 85 N -2.25 6.69 0.27 2.29 0.15 -1.26 -0.53 113.70 119.06 1wnr s SER 85 Ca 0.08 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.77 1wnr s SER 85 Cb -0.07 -2.28 0.45 0.00 -1.71 0.00 0.00 66.02 62.40 1wnr s SER 85 CO 0.04 -0.11 1.86 -0.08 1.20 0.00 0.00 173.24 176.15 1wnr h GLU 86 N 2.50 1.03 -0.05 5.44 4.81 -1.51 -0.69 114.58 126.11 1wnr h GLU 86 Ca -0.47 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1wnr h GLU 86 Cb 1.17 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1wnr h GLU 86 CO 0.68 0.68 0.10 0.07 -0.73 0.00 0.00 179.01 179.80 1wnr h ARG 87 N 1.06 0.00 -0.00 1.92 0.11 -1.93 0.04 114.38 115.58 1wnr h ARG 87 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1wnr h ARG 87 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1wnr h ARG 87 CO -0.21 0.00 -0.12 -0.25 0.10 0.00 0.00 179.97 179.49 1wnr n ASP 88 N -3.42 0.53 -4.48 0.08 9.92 -0.27 -4.76 116.55 114.15 1wnr n ASP 88 Ca -0.02 -0.61 -0.43 0.00 -0.53 0.00 0.00 54.79 53.20 1wnr n ASP 88 Cb 0.18 -0.05 -0.06 0.00 -0.64 0.00 0.00 41.12 40.54 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 -2.47 4.70 0.03 0.64 1.43 -0.00 -3.57 118.68 119.44 1wnr s LEU 89 Ca 0.29 -0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 52.53 1wnr s LEU 89 Cb 0.20 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 1wnr s LEU 89 CO 0.48 -0.86 1.43 -0.07 0.23 0.00 0.00 176.35 177.55 1wnr h LEU 90 N 9.79 0.17 -7.74 1.79 4.07 -1.46 -3.48 115.31 118.44 1wnr h LEU 90 Ca -0.26 -0.36 0.14 0.00 0.08 0.00 0.00 57.88 57.48 1wnr h LEU 90 Cb 1.09 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.71 1wnr h LEU 90 CO 0.94 0.49 0.41 0.00 -1.08 0.00 0.00 178.44 179.19 1wnr s ALA 91 N -4.79 -1.53 -0.12 1.53 0.00 -1.21 -4.99 121.76 110.65 1wnr s ALA 91 Ca -0.15 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1wnr s ALA 91 Cb 0.04 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1wnr s ALA 91 CO 0.70 -1.03 0.04 0.08 0.00 0.00 0.00 175.76 175.55 1wnr s VAL 92 N -3.47 4.67 -0.29 0.00 1.01 -1.26 -0.39 120.40 120.68 1wnr s VAL 92 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1wnr s VAL 92 Cb -0.03 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1wnr s VAL 92 CO 0.03 0.57 0.15 -0.76 0.00 0.00 0.00 175.10 175.09 1wnr s LEU 93 N -0.60 3.92 0.00 3.92 1.43 0.12 -4.96 118.68 122.50 1wnr s LEU 93 Ca 0.11 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1wnr s LEU 93 Cb -0.12 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1wnr s LEU 93 CO 0.02 -0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.49