#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 4.90 -0.42 1.12 1.01 -1.26 -5.05 121.20 121.49 1wnr s ILE 2 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 1wnr s ILE 2 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.71 1wnr s ILE 2 CO 0.00 -0.33 0.50 -0.75 0.00 0.00 0.00 174.94 174.36 1wnr s LYS 3 N 1.60 3.17 0.32 2.79 2.20 -1.26 -4.87 119.74 123.68 1wnr s LYS 3 Ca 0.03 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1wnr s LYS 3 Cb -0.20 -3.96 -0.10 0.00 -1.51 0.00 0.00 37.83 32.06 1wnr s LYS 3 CO 0.08 -0.89 1.22 -2.14 -0.36 0.00 0.00 175.35 173.25 1wnr s PRO 4 N 2.34 4.44 0.11 4.03 0.02 -1.26 -5.01 135.00 139.68 1wnr s PRO 4 Ca 0.15 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 1wnr s PRO 4 Cb -0.16 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 1wnr s PRO 4 CO 0.15 -0.05 0.39 -0.51 -0.33 0.00 0.00 177.00 176.65 1wnr s LEU 5 N -1.72 4.30 0.00 -5.54 1.43 -1.26 -4.25 118.68 111.64 1wnr s LEU 5 Ca 0.48 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1wnr s LEU 5 Cb -0.36 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1wnr s LEU 5 CO 0.47 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.77 1wnr n GLY 6 N 0.48 4.38 2.90 -3.19 0.00 -1.26 -3.40 105.19 105.08 1wnr n GLY 6 Ca -0.05 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 8.96 7.43 -4.11 1.61 2.03 -1.23 0.27 116.55 131.51 1wnr n ASP 7 Ca 0.00 -3.83 -0.22 0.00 0.52 0.00 0.00 54.79 51.26 1wnr n ASP 7 Cb 0.00 -1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 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 -4.07 1.72 0.14 -0.67 0.52 -1.22 -0.38 118.95 114.98 1wnr s ARG 8 Ca 0.51 -2.00 -0.09 0.00 -0.52 0.00 0.00 55.73 53.63 1wnr s ARG 8 Cb 0.43 -0.40 -0.00 0.00 0.52 0.00 0.00 34.95 35.49 1wnr s ARG 8 CO -0.40 -0.41 0.26 0.14 0.02 0.00 0.00 175.30 174.91 1wnr s VAL 9 N -3.42 0.09 -0.10 3.52 -7.23 0.21 -0.11 120.40 113.36 1wnr s VAL 9 Ca 0.32 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1wnr s VAL 9 Cb 0.05 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 1wnr s VAL 9 CO 0.16 -0.41 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.63 1wnr s VAL 10 N -3.92 2.24 0.12 1.32 1.01 0.98 -1.47 120.40 120.68 1wnr s VAL 10 Ca 0.12 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1wnr s VAL 10 Cb 0.04 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1wnr s VAL 10 CO -0.04 0.55 -0.18 0.68 0.00 0.00 0.00 175.10 176.11 1wnr s VAL 11 N 0.31 1.62 -0.27 2.92 -7.23 -0.02 -0.30 120.40 117.43 1wnr s VAL 11 Ca -0.17 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1wnr s VAL 11 Cb -0.17 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1wnr s VAL 11 CO 0.08 -0.20 0.22 -0.75 -0.31 0.00 0.00 175.10 174.14 1wnr s LYS 12 N -2.25 3.99 0.95 4.82 2.47 -0.23 -1.06 119.74 128.43 1wnr s LYS 12 Ca 0.08 -0.24 -0.11 0.00 -1.56 0.00 0.00 55.97 54.15 1wnr s LYS 12 Cb -0.08 -3.64 0.17 0.00 -1.46 0.00 0.00 37.83 32.82 1wnr s LYS 12 CO 0.04 -0.15 1.11 0.50 0.16 0.00 0.00 175.35 177.01 1wnr s ARG 13 N 1.69 0.74 0.00 4.03 3.52 -1.26 -1.05 118.95 126.62 1wnr s ARG 13 Ca 0.09 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1wnr s ARG 13 Cb -0.16 -1.71 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 1wnr s ARG 13 CO 0.10 -2.75 0.00 -0.89 -0.81 0.00 0.00 175.30 170.95 1wnr n ILE 14 N -4.29 0.00 -1.05 4.11 5.41 -0.27 -4.79 119.36 118.47 1wnr n ILE 14 Ca 0.09 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.49 1wnr n ILE 14 Cb 0.53 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.48 1wnr n ILE 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1wnr n VAL 25 N 0.00 0.00 0.00 1.39 0.24 -1.26 -4.71 118.33 113.99 1wnr n VAL 25 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1wnr n VAL 25 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1wnr n VAL 25 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1wnr n LEU 26 N 2.92 0.00 -4.75 1.34 7.94 -1.26 -5.13 117.00 118.06 1wnr n LEU 26 Ca 0.02 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.51 1wnr n LEU 26 Cb 0.50 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.42 1wnr n LEU 26 CO 0.51 0.00 0.99 -2.84 -1.11 0.00 0.00 177.39 174.94 1wnr s PRO 27 N -2.00 4.37 0.52 1.96 0.02 -1.26 -4.91 135.00 133.70 1wnr s PRO 27 Ca 0.00 2.13 0.29 0.00 0.02 0.00 0.00 61.00 63.44 1wnr s PRO 27 Cb 0.00 -3.14 1.42 0.00 0.02 0.00 0.00 34.50 32.80 1wnr s PRO 27 CO 0.00 -0.24 2.04 -0.44 -0.33 0.00 0.00 177.00 178.04 1wnr h ASP 28 N 4.65 0.00 0.00 2.53 3.45 -2.06 -2.34 116.42 122.65 1wnr h ASP 28 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1wnr h ASP 28 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1wnr h ASP 28 CO 0.73 0.12 0.00 0.35 -1.57 0.00 0.00 179.24 178.87 1wnr n THR 29 N -3.50 0.00 1.44 0.35 -2.24 -1.26 -3.62 114.28 105.45 1wnr n THR 29 Ca -0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1wnr n THR 29 Cb 0.27 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1wnr n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wnr n ALA 30 N -0.33 2.50 0.11 6.98 0.00 -0.88 -3.35 120.51 125.54 1wnr n ALA 30 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.20 1wnr n ALA 30 Cb 0.08 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1wnr n ALA 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wnr n LYS 31 N -0.04 1.50 0.00 0.00 4.81 -1.24 -4.63 118.16 118.56 1wnr n LYS 31 Ca 0.05 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wnr n LYS 31 Cb 0.15 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1wnr n LYS 31 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wnr n GLU 32 N -1.60 0.38 -4.12 1.64 1.02 -1.21 -4.71 120.64 112.03 1wnr n GLU 32 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1wnr n GLU 32 Cb 0.18 -1.25 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1wnr n GLU 32 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wnr s LYS 33 N -0.21 2.66 0.10 3.49 -2.85 -1.26 -4.94 119.74 116.73 1wnr s LYS 33 Ca 0.00 -0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 54.07 1wnr s LYS 33 Cb 0.00 -2.56 -0.02 0.00 -2.06 0.00 0.00 37.83 33.20 1wnr s LYS 33 CO 0.00 0.51 -0.10 -2.30 0.10 0.00 0.00 175.35 173.56 1wnr n PRO 34 N 0.16 0.00 -4.59 1.78 -0.02 -1.26 -4.77 135.00 126.29 1wnr n PRO 34 Ca -0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1wnr n PRO 34 Cb 0.53 -0.10 -0.14 0.00 -0.02 0.00 0.00 33.50 33.78 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 -0.19 1.52 -0.07 -0.52 -1.52 -0.06 -4.85 119.66 113.97 1wnr s GLN 35 Ca 0.04 -1.21 0.03 0.00 -1.95 0.00 0.00 55.36 52.27 1wnr s GLN 35 Cb -0.01 -1.85 -0.02 0.00 -0.22 0.00 0.00 33.01 30.91 1wnr s GLN 35 CO 0.08 0.45 -0.17 0.15 -0.25 0.00 0.00 175.29 175.55 1wnr s LYS 36 N -1.67 2.70 0.18 2.91 1.02 -1.26 -0.10 119.74 123.52 1wnr s LYS 36 Ca 0.12 -0.75 -0.08 0.00 0.02 0.00 0.00 55.97 55.28 1wnr s LYS 36 Cb -0.10 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1wnr s LYS 36 CO 0.04 0.47 0.27 0.20 -0.92 0.00 0.00 175.35 175.42 1wnr s GLY 37 N -0.35 0.68 -0.16 -3.33 0.00 -0.32 -1.11 107.32 102.72 1wnr s GLY 37 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 1wnr s GLY 37 CO 0.02 -0.93 -0.06 1.25 0.00 0.00 0.00 173.10 173.37 1wnr s LYS 38 N -4.01 3.54 -0.04 2.90 2.20 -0.22 -1.43 119.74 122.68 1wnr s LYS 38 Ca 0.22 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1wnr s LYS 38 Cb 0.04 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 1wnr s LYS 38 CO 0.04 0.16 1.30 0.08 -0.36 0.00 0.00 175.35 176.57 1wnr s VAL 39 N 0.54 4.01 -0.14 4.02 1.01 -0.17 -1.07 120.40 128.60 1wnr s VAL 39 Ca -0.05 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1wnr s VAL 39 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1wnr s VAL 39 CO 0.03 -0.01 0.14 2.30 0.00 0.00 0.00 175.10 177.56 1wnr n ILE 40 N 4.69 0.00 -3.64 2.22 -5.35 0.59 0.33 119.36 118.20 1wnr n ILE 40 Ca 0.12 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 62.06 1wnr n ILE 40 Cb 0.45 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 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 -1.24 -1.83 -0.01 -1.28 0.00 -1.14 -4.94 121.76 111.33 1wnr s ALA 41 Ca 0.01 2.24 0.06 0.00 0.00 0.00 0.00 51.96 54.28 1wnr s ALA 41 Cb 0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1wnr s ALA 41 CO 0.11 -0.36 -0.20 0.14 0.00 0.00 0.00 175.76 175.46 1wnr s VAL 42 N 1.06 1.55 0.57 0.00 -7.23 -1.26 -0.01 120.40 115.07 1wnr s VAL 42 Ca -0.05 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.13 1wnr s VAL 42 Cb -0.05 -1.30 0.14 0.00 0.56 0.00 0.00 36.38 35.73 1wnr s VAL 42 CO -0.10 0.39 0.65 0.61 -0.31 0.00 0.00 175.10 176.34 1wnr n GLY 43 N 2.47 -1.85 0.03 2.32 0.00 0.85 -4.77 105.19 104.24 1wnr n GLY 43 Ca -0.15 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.29 0.00 -1.13 2.61 -2.24 -0.53 -4.62 114.28 105.08 1wnr n THR 44 Ca 0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1wnr n THR 44 Cb 0.31 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.41 -2.43 3.80 3.38 0.00 0.77 -4.44 105.19 107.67 1wnr n GLY 45 Ca 0.10 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.66 3.60 -0.09 1.61 3.52 -1.11 -3.55 118.95 122.27 1wnr s ARG 46 Ca 0.00 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 56.93 1wnr s ARG 46 Cb 0.00 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.31 1wnr s ARG 46 CO 0.00 -0.59 -0.15 0.08 -0.81 0.00 0.00 175.30 173.83 1wnr s VAL 47 N -2.15 2.94 0.31 7.11 1.01 -1.26 -0.18 120.40 128.18 1wnr s VAL 47 Ca 0.66 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1wnr s VAL 47 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1wnr s VAL 47 CO 0.27 0.55 0.51 -0.76 0.00 0.00 0.00 175.10 175.67 1wnr s LEU 48 N -0.08 4.07 0.09 3.92 1.43 0.16 -4.96 118.68 123.31 1wnr s LEU 48 Ca -0.03 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1wnr s LEU 48 Cb -0.14 -3.27 0.24 0.00 0.03 0.00 0.00 46.19 43.05 1wnr s LEU 48 CO 0.04 -0.23 1.01 -0.62 0.23 0.00 0.00 176.35 176.78 1wnr n GLU 49 N -1.54 0.03 -0.58 1.70 -0.58 -1.26 0.40 120.64 118.81 1wnr n GLU 49 Ca -0.05 0.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.20 1wnr n GLU 49 Cb 0.56 -1.76 0.32 0.00 -0.57 0.00 0.00 31.44 29.99 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 -1.57 4.56 0.00 1.62 6.94 -1.26 -4.94 115.26 120.61 1wnr n ASN 50 Ca -0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 1wnr n ASN 50 Cb 0.17 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 0.58 2.78 3.76 4.83 0.00 0.16 -5.02 105.19 112.29 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 -0.12 4.54 -0.31 1.61 -0.21 -1.25 -4.72 119.66 119.21 1wnr s GLN 52 Ca 0.00 1.80 -0.08 0.00 0.02 0.00 0.00 55.36 57.09 1wnr s GLN 52 Cb 0.00 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.93 1wnr s GLN 52 CO 0.00 0.13 0.12 0.50 -2.12 0.00 0.00 175.29 173.92 1wnr s ARG 53 N -1.62 3.15 -0.35 2.91 3.52 -1.26 0.36 118.95 125.65 1wnr s ARG 53 Ca 0.47 -0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 54.97 1wnr s ARG 53 Cb -0.31 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1wnr s ARG 53 CO 0.40 -0.46 0.96 0.08 -0.81 0.00 0.00 175.30 175.47 1wnr s VAL 54 N 1.54 4.57 0.57 7.11 1.01 0.75 -4.96 120.40 130.99 1wnr s VAL 54 Ca 0.03 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 1wnr s VAL 54 Cb -0.17 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wnr s VAL 54 CO 0.04 -0.52 1.18 -2.84 0.00 0.00 0.00 175.10 172.97 1wnr s PRO 55 N 3.51 3.12 0.70 2.72 0.02 -1.26 -2.74 135.00 141.07 1wnr s PRO 55 Ca 0.40 1.75 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 1wnr s PRO 55 Cb -0.12 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1wnr s PRO 55 CO 0.18 -1.07 1.13 1.28 -0.33 0.00 0.00 177.00 178.18 1wnr n LEU 56 N -1.48 4.60 0.03 -5.54 4.77 -1.26 -4.91 117.00 113.21 1wnr n LEU 56 Ca 0.13 0.72 0.12 0.00 -0.03 0.00 0.00 56.01 56.96 1wnr n LEU 56 Cb 0.50 -1.48 0.28 0.00 -2.33 0.00 0.00 43.42 40.40 1wnr n LEU 56 CO 0.44 -1.59 0.51 1.21 -1.33 0.00 0.00 177.39 176.62 1wnr n GLU 57 N -2.05 0.12 -4.10 3.23 2.13 -1.26 -4.88 120.64 113.82 1wnr n GLU 57 Ca 0.14 0.04 -0.22 0.00 0.66 0.00 0.00 57.16 57.78 1wnr n GLU 57 Cb 0.49 -1.58 -0.05 0.00 0.27 0.00 0.00 31.44 30.57 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 -3.06 3.62 0.29 6.31 -7.23 -1.26 -5.14 120.40 113.92 1wnr s VAL 58 Ca 0.10 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1wnr s VAL 58 Cb 0.16 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 1wnr s VAL 58 CO 0.68 -0.28 0.09 -1.59 -0.31 0.00 0.00 175.10 173.69 1wnr s LYS 59 N -3.83 1.51 0.42 4.82 -2.85 -1.26 -5.00 119.74 113.55 1wnr s LYS 59 Ca 0.35 -1.83 -0.27 0.00 -1.00 0.00 0.00 55.97 53.22 1wnr s LYS 59 Cb -0.06 -0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 35.17 1wnr s LYS 59 CO 0.23 -0.28 1.45 0.39 0.10 0.00 0.00 175.35 177.24 1wnr n GLU 60 N -0.56 2.43 0.00 1.78 1.02 -1.26 -2.19 120.64 121.86 1wnr n GLU 60 Ca -0.01 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1wnr n GLU 60 Cb 0.66 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 2.99 3.36 0.62 0.00 0.15 -4.97 105.19 107.88 1wnr n GLY 61 Ca 0.03 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 1.59 -2.10 -4.28 1.61 10.43 -0.93 -4.35 116.55 118.52 1wnr n ASP 62 Ca 0.00 0.84 -0.36 0.00 2.57 0.00 0.00 54.79 57.84 1wnr n ASP 62 Cb 0.00 -0.98 -0.13 0.00 1.84 0.00 0.00 41.12 41.85 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 -1.61 3.56 0.27 0.53 1.01 -1.26 -1.00 121.20 122.70 1wnr s ILE 63 Ca 0.61 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1wnr s ILE 63 Cb -0.62 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1wnr s ILE 63 CO 0.61 0.05 0.21 0.68 0.00 0.00 0.00 174.94 176.48 1wnr s VAL 64 N 1.41 4.28 -0.07 2.92 -7.23 -0.52 0.17 120.40 121.37 1wnr s VAL 64 Ca 0.00 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1wnr s VAL 64 Cb -0.18 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.38 1wnr s VAL 64 CO 0.00 -0.32 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.64 1wnr s VAL 65 N -2.17 3.07 0.04 1.32 1.01 0.15 -1.18 120.40 122.64 1wnr s VAL 65 Ca 0.34 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1wnr s VAL 65 Cb -0.07 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1wnr s VAL 65 CO 0.25 0.58 0.07 0.72 0.00 0.00 0.00 175.10 176.72 1wnr s PHE 66 N -0.52 0.25 0.02 5.22 -0.12 0.86 -0.76 117.98 122.92 1wnr s PHE 66 Ca 0.07 -0.59 -0.37 0.00 -0.05 0.00 0.00 56.93 56.00 1wnr s PHE 66 Cb -0.12 -0.18 -0.16 0.00 -0.63 0.00 0.00 43.02 41.94 1wnr s PHE 66 CO 0.01 -0.36 1.48 0.00 -0.05 0.00 0.00 175.22 176.30 1wnr n ALA 67 N 0.72 -0.42 -1.73 1.99 0.00 -1.23 -0.88 120.51 118.96 1wnr n ALA 67 Ca -0.19 0.47 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1wnr n ALA 67 Cb 0.59 -2.16 0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 3.38 1.32 -0.72 0.00 4.81 -1.26 -1.01 118.16 124.68 1wnr n LYS 68 Ca 0.20 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1wnr n LYS 68 Cb 0.20 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.70 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 -1.60 0.00 -2.77 5.64 0.53 -1.26 -4.97 117.16 112.73 1wnr n TYR 69 Ca 0.14 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.73 1wnr n TYR 69 Cb 0.47 -0.97 -0.01 0.00 -1.03 0.00 0.00 39.34 37.79 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 1.69 0.01 2.72 0.00 -0.18 -4.95 107.32 104.60 1wnr s GLY 70 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1wnr s GLY 70 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.48 1wnr n GLY 71 N -1.81 -2.17 3.24 0.20 0.00 -1.26 -4.91 105.19 98.47 1wnr n GLY 71 Ca 0.01 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.61 2.07 0.02 2.61 2.01 0.29 -4.95 115.64 117.07 1wnr s THR 72 Ca 0.00 -1.03 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 1wnr s THR 72 Cb 0.00 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1wnr s THR 72 CO 0.00 0.56 0.76 -1.61 -0.69 0.00 0.00 174.62 173.64 1wnr s GLU 73 N 0.18 4.48 -0.01 4.92 0.41 -1.26 -1.10 118.70 126.32 1wnr s GLU 73 Ca -0.14 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.46 1wnr s GLU 73 Cb -0.17 -3.38 0.02 0.00 -1.78 0.00 0.00 34.13 28.82 1wnr s GLU 73 CO 0.07 0.23 0.01 -1.50 -0.49 0.00 0.00 175.26 173.58 1wnr s ILE 74 N 0.16 0.02 -0.07 -1.63 1.10 -0.79 -5.00 121.20 114.99 1wnr s ILE 74 Ca 0.39 0.10 0.04 0.00 -0.51 0.00 0.00 60.65 60.67 1wnr s ILE 74 Cb -0.20 -0.10 -0.02 0.00 0.15 0.00 0.00 42.46 42.29 1wnr s ILE 74 CO 0.22 0.07 -0.17 -0.70 -2.11 0.00 0.00 174.94 172.25 1wnr s GLU 75 N 0.64 2.67 -0.09 3.50 2.12 -1.26 -0.98 118.70 125.30 1wnr s GLU 75 Ca -0.06 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 1wnr s GLU 75 Cb -0.08 -2.37 0.05 0.00 0.26 0.00 0.00 34.13 31.99 1wnr s GLU 75 CO -0.02 0.49 0.17 0.42 -0.54 0.00 0.00 175.26 175.78 1wnr s ILE 76 N -0.40 -0.26 -1.53 -3.70 1.01 0.40 -4.84 121.20 111.88 1wnr s ILE 76 Ca 0.04 0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 1wnr s ILE 76 Cb -0.12 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1wnr s ILE 76 CO 0.02 0.14 0.66 0.47 0.00 0.00 0.00 174.94 176.23 1wnr n ASP 77 N 5.27 -6.14 0.00 3.58 8.00 -1.26 -1.60 116.55 124.39 1wnr n ASP 77 Ca -0.06 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1wnr n ASP 77 Cb 0.50 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 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 1.06 3.81 0.44 0.00 -1.26 -5.02 105.19 102.66 1wnr n GLY 78 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.03 3.20 -0.13 1.61 0.41 -0.63 -5.10 118.70 118.03 1wnr s GLU 79 Ca 0.00 -0.38 -0.02 0.00 -0.41 0.00 0.00 54.97 54.16 1wnr s GLU 79 Cb 0.00 -2.96 -0.03 0.00 -1.78 0.00 0.00 34.13 29.36 1wnr s GLU 79 CO 0.00 0.68 -0.05 -1.21 -0.49 0.00 0.00 175.26 174.20 1wnr s GLU 80 N -1.56 3.44 0.25 1.61 2.02 -1.26 -0.46 118.70 122.75 1wnr s GLU 80 Ca 0.21 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.74 1wnr s GLU 80 Cb -0.12 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 1wnr s GLU 80 CO 0.12 0.35 -0.07 0.71 0.02 0.00 0.00 175.26 176.39 1wnr s TYR 81 N 0.07 1.82 -0.09 1.61 1.51 -0.15 -4.53 117.35 117.59 1wnr s TYR 81 Ca -0.01 -0.71 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1wnr s TYR 81 Cb -0.14 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1wnr s TYR 81 CO 0.03 0.24 -0.09 0.08 -1.11 0.00 0.00 175.55 174.69 1wnr s VAL 82 N -3.08 1.03 -0.24 0.71 1.01 -0.23 -1.89 120.40 117.72 1wnr s VAL 82 Ca 0.28 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1wnr s VAL 82 Cb 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wnr s VAL 82 CO 0.10 0.35 0.35 -0.63 0.00 0.00 0.00 175.10 175.27 1wnr s ILE 83 N 1.25 5.21 0.05 2.22 1.01 -0.26 -0.84 121.20 129.85 1wnr s ILE 83 Ca -0.04 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1wnr s ILE 83 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1wnr s ILE 83 CO -0.03 0.22 -0.17 -0.76 0.00 0.00 0.00 174.94 174.21 1wnr s LEU 84 N 1.61 2.20 0.39 2.97 1.43 -0.55 -0.55 118.68 126.18 1wnr s LEU 84 Ca 0.15 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1wnr s LEU 84 Cb -0.15 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 1wnr s LEU 84 CO 0.08 0.05 0.84 -0.44 0.23 0.00 0.00 176.35 177.12 1wnr s SER 85 N -1.33 6.80 0.45 2.29 0.01 -1.26 -0.62 113.70 120.03 1wnr s SER 85 Ca 0.03 1.44 0.20 0.00 1.31 0.00 0.00 55.95 58.93 1wnr s SER 85 Cb -0.09 -2.44 1.16 0.00 0.21 0.00 0.00 66.02 64.86 1wnr s SER 85 CO 0.02 -0.31 1.89 -0.08 0.41 0.00 0.00 173.24 175.17 1wnr h GLU 86 N 1.92 0.31 0.00 12.44 4.81 -1.05 0.98 114.58 133.99 1wnr h GLU 86 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1wnr h GLU 86 Cb 1.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wnr h GLU 86 CO 0.63 0.20 0.00 0.07 -0.73 0.00 0.00 179.01 179.19 1wnr h ARG 87 N 0.32 0.00 -0.01 1.92 0.11 -1.92 -2.28 114.38 112.51 1wnr h ARG 87 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1wnr h ARG 87 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1wnr h ARG 87 CO -0.12 0.00 -0.41 -0.25 0.10 0.00 0.00 179.97 179.29 1wnr n ASP 88 N -2.37 1.33 -4.56 0.08 9.92 0.34 -4.81 116.55 116.49 1wnr n ASP 88 Ca 0.01 -1.07 -0.43 0.00 -0.53 0.00 0.00 54.79 52.77 1wnr n ASP 88 Cb 0.17 0.33 -0.04 0.00 -0.64 0.00 0.00 41.12 40.94 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 4.05 -0.02 0.64 1.43 -0.86 -3.55 118.68 117.80 1wnr s LEU 89 Ca 0.20 0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.14 1wnr s LEU 89 Cb 0.18 -3.14 -0.13 0.00 0.03 0.00 0.00 46.19 43.13 1wnr s LEU 89 CO 0.58 -1.03 0.93 -0.07 0.23 0.00 0.00 176.35 176.99 1wnr h LEU 90 N 10.51 -0.47 -7.30 1.79 4.07 -1.26 -3.49 115.31 119.16 1wnr h LEU 90 Ca -0.24 -0.09 0.02 0.00 0.08 0.00 0.00 57.88 57.65 1wnr h LEU 90 Cb 1.08 0.12 -0.10 0.00 1.08 0.00 0.00 40.66 42.84 1wnr h LEU 90 CO 1.02 -0.05 0.24 0.00 -1.08 0.00 0.00 178.44 178.58 1wnr s ALA 91 N -4.35 -1.51 -0.16 1.53 0.00 -1.21 -4.98 121.76 111.08 1wnr s ALA 91 Ca -0.12 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 1wnr s ALA 91 Cb 0.01 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1wnr s ALA 91 CO 0.40 -0.85 0.18 0.08 0.00 0.00 0.00 175.76 175.57 1wnr s VAL 92 N -3.74 5.39 -0.30 0.00 1.01 -1.26 0.33 120.40 121.83 1wnr s VAL 92 Ca 0.04 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 1wnr s VAL 92 Cb -0.02 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1wnr s VAL 92 CO -0.07 0.49 0.27 -0.76 0.00 0.00 0.00 175.10 175.03 1wnr s LEU 93 N -0.08 4.17 0.00 3.92 1.43 0.44 -4.97 118.68 123.60 1wnr s LEU 93 Ca 0.13 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1wnr s LEU 93 Cb -0.12 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1wnr s LEU 93 CO 0.02 -0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.44