#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wap s PHE 9 N 0.00 0.72 0.03 -0.67 -0.12 -1.26 -1.26 117.98 115.43 1wap s PHE 9 Ca 0.00 -1.11 0.07 0.00 -0.05 0.00 0.00 56.93 55.84 1wap s PHE 9 Cb 0.00 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.99 1wap s PHE 9 CO 0.00 -0.55 -0.20 0.14 -0.05 0.00 0.00 175.22 174.56 1wap s VAL 10 N -4.02 1.60 -0.19 -2.49 -7.23 -0.33 -4.60 120.40 103.15 1wap s VAL 10 Ca 0.21 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1wap s VAL 10 Cb 0.07 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1wap s VAL 10 CO 0.00 0.23 0.01 -0.69 -0.31 0.00 0.00 175.10 174.35 1wap s VAL 11 N -0.74 4.18 -0.12 1.32 1.01 -0.26 -1.01 120.40 124.79 1wap s VAL 11 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1wap s VAL 11 Cb -0.08 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1wap s VAL 11 CO 0.01 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.82 1wap s ILE 12 N 0.75 1.23 -0.21 2.22 1.01 0.12 -0.76 121.20 125.56 1wap s ILE 12 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1wap s ILE 12 Cb -0.14 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1wap s ILE 12 CO 0.02 0.40 0.01 -0.75 0.00 0.00 0.00 174.94 174.62 1wap s LYS 13 N 1.47 3.59 0.03 2.79 2.20 -0.07 -1.01 119.74 128.74 1wap s LYS 13 Ca 0.02 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1wap s LYS 13 Cb -0.13 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1wap s LYS 13 CO -0.07 -0.06 1.22 0.00 -0.36 0.00 0.00 175.35 176.08 1wap s ALA 14 N 1.19 3.43 -0.88 3.13 0.00 -0.11 -1.33 121.76 127.20 1wap s ALA 14 Ca 0.03 0.81 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1wap s ALA 14 Cb -0.14 -3.47 -0.20 0.00 0.00 0.00 0.00 23.12 19.30 1wap s ALA 14 CO 0.01 -0.54 0.79 0.28 0.00 0.00 0.00 175.76 176.30 1wap n VAL 15 N 4.12 0.00 -4.18 0.00 0.31 0.06 -0.18 118.33 118.46 1wap n VAL 15 Ca 0.10 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1wap n VAL 15 Cb 0.46 0.99 -0.10 0.00 -0.91 0.00 0.00 33.84 34.28 1wap n VAL 15 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1wap s GLU 16 N -2.77 1.06 0.59 5.55 -1.05 -1.18 -4.80 118.70 116.10 1wap s GLU 16 Ca 0.07 -1.53 -0.17 0.00 -0.15 0.00 0.00 54.97 53.18 1wap s GLU 16 Cb 0.14 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1wap s GLU 16 CO 0.77 -0.31 1.11 -0.51 0.95 0.00 0.00 175.26 177.27 1wap s ASP 17 N -3.11 5.53 -0.96 0.83 1.01 -1.26 -3.29 116.67 115.42 1wap s ASP 17 Ca 0.31 2.06 -0.01 0.00 0.71 0.00 0.00 52.55 55.62 1wap s ASP 17 Cb 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1wap s ASP 17 CO 0.06 -1.34 0.07 0.61 0.21 0.00 0.00 175.17 174.78 1wap n GLY 18 N -0.24 -0.08 3.76 0.21 0.00 -1.09 -4.86 105.19 102.89 1wap n GLY 18 Ca 0.11 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1wap n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wap s VAL 19 N -2.64 2.30 -0.16 1.61 1.01 -0.48 -4.80 120.40 117.24 1wap s VAL 19 Ca 0.03 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1wap s VAL 19 Cb -0.01 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 1wap s VAL 19 CO 0.04 0.03 -0.14 0.20 0.00 0.00 0.00 175.10 175.23 1wap s ASN 20 N -0.73 3.76 -0.36 3.32 -0.87 -0.69 -0.37 114.94 119.00 1wap s ASN 20 Ca 0.62 -0.45 -0.08 0.00 -1.57 0.00 0.00 52.86 51.39 1wap s ASN 20 Cb -0.40 -1.59 0.04 0.00 -0.02 0.00 0.00 41.25 39.28 1wap s ASN 20 CO 0.51 0.08 0.15 -0.69 -2.57 0.00 0.00 177.10 174.57 1wap s VAL 21 N 0.86 4.02 -0.17 1.60 1.01 -0.29 -1.34 120.40 126.09 1wap s VAL 21 Ca -0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1wap s VAL 21 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1wap s VAL 21 CO -0.00 -0.24 -0.02 -0.63 0.00 0.00 0.00 175.10 174.21 1wap s ILE 22 N 1.44 4.04 -0.18 2.22 1.01 0.10 -0.73 121.20 129.10 1wap s ILE 22 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1wap s ILE 22 Cb -0.20 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1wap s ILE 22 CO 0.04 0.48 0.25 -0.83 0.00 0.00 0.00 174.94 174.87 1wap s GLY 23 N 0.48 2.15 -0.09 6.18 0.00 0.48 -0.66 107.32 115.85 1wap s GLY 23 Ca -0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 1wap s GLY 23 CO 0.02 0.37 0.13 1.08 0.00 0.00 0.00 173.10 174.71 1wap s LEU 24 N 0.51 4.28 0.29 0.66 1.02 -0.39 -0.70 118.68 124.36 1wap s LEU 24 Ca 0.14 0.40 -0.29 0.00 0.02 0.00 0.00 54.13 54.39 1wap s LEU 24 Cb -0.12 -2.17 -0.10 0.00 0.02 0.00 0.00 46.19 43.82 1wap s LEU 24 CO 0.02 0.37 1.32 0.42 0.02 0.00 0.00 176.35 178.51 1wap s THR 25 N -1.09 2.81 0.12 5.49 -4.23 0.77 -2.64 115.64 116.87 1wap s THR 25 Ca 0.18 0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 61.15 1wap s THR 25 Cb -0.12 -3.48 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 1wap s THR 25 CO 0.07 0.16 1.05 -0.60 -0.54 0.00 0.00 174.62 174.76 1wap s ARG 26 N -1.26 4.61 0.00 3.99 3.52 -0.36 -4.55 118.95 124.90 1wap s ARG 26 Ca 0.52 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1wap s ARG 26 Cb -0.39 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 1wap s ARG 26 CO 0.48 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.45 1wap n GLY 27 N 2.38 0.85 0.30 8.12 0.00 -1.26 -4.82 105.19 110.76 1wap n GLY 27 Ca 0.04 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 1wap n GLY 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wap h THR 28 N 0.00 1.22 -3.31 2.61 1.35 -2.05 -3.42 112.91 109.30 1wap h THR 28 Ca 0.00 -0.80 -0.56 0.00 -0.55 0.00 0.00 66.41 64.50 1wap h THR 28 Cb 0.00 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 1wap h THR 28 CO 0.00 0.30 -0.19 -1.81 -0.25 0.00 0.00 175.52 173.57 1wap s ASP 29 N -6.58 6.60 -0.32 5.36 1.01 -1.26 -5.08 116.67 116.39 1wap s ASP 29 Ca -0.10 0.82 0.02 0.00 0.71 0.00 0.00 52.55 54.00 1wap s ASP 29 Cb 0.16 -2.18 0.10 0.00 1.01 0.00 0.00 42.92 42.00 1wap s ASP 29 CO 0.80 0.00 0.06 -0.89 0.21 0.00 0.00 175.17 175.35 1wap s THR 30 N -1.70 1.58 0.09 -1.27 2.01 -1.26 -4.58 115.64 110.50 1wap s THR 30 Ca 0.43 -1.81 0.05 0.00 0.31 0.00 0.00 61.69 60.67 1wap s THR 30 Cb -0.12 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1wap s THR 30 CO 0.22 -0.58 -0.13 -0.54 -0.69 0.00 0.00 174.62 172.90 1wap s LYS 31 N 1.27 0.87 0.06 4.92 1.02 -1.26 -4.90 119.74 121.72 1wap s LYS 31 Ca 0.09 -1.07 -0.31 0.00 0.02 0.00 0.00 55.97 54.70 1wap s LYS 31 Cb -0.18 -0.77 -0.06 0.00 -0.52 0.00 0.00 37.83 36.30 1wap s LYS 31 CO -0.15 0.15 1.23 -0.06 -0.92 0.00 0.00 175.35 175.60 1wap s PHE 32 N -1.77 3.37 -0.24 3.18 0.08 -1.26 -0.16 117.98 121.17 1wap s PHE 32 Ca 0.02 1.23 0.11 0.00 0.12 0.00 0.00 56.93 58.42 1wap s PHE 32 Cb -0.07 -3.46 -0.15 0.00 -0.57 0.00 0.00 43.02 38.77 1wap s PHE 32 CO 0.02 -1.46 0.35 -2.39 -0.10 0.00 0.00 175.22 171.64 1wap n HIS 33 N 4.09 0.00 -3.64 0.36 1.44 0.12 -4.91 115.22 112.69 1wap n HIS 33 Ca 0.10 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.71 1wap n HIS 33 Cb 0.46 -0.15 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 1wap n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1wap s HIS 34 N -2.47 -0.65 -0.17 -1.40 5.65 -1.23 -5.00 115.29 110.02 1wap s HIS 34 Ca -0.01 1.49 0.01 0.00 0.25 0.00 0.00 55.06 56.80 1wap s HIS 34 Cb 0.08 0.37 0.03 0.00 -1.18 0.00 0.00 32.58 31.87 1wap s HIS 34 CO 0.47 -0.31 -0.12 0.45 -0.65 0.00 0.00 174.74 174.57 1wap s SER 35 N 0.58 3.02 -0.27 9.88 0.15 -1.26 -0.39 113.70 125.41 1wap s SER 35 Ca -0.01 -0.67 -0.11 0.00 0.70 0.00 0.00 55.95 55.86 1wap s SER 35 Cb -0.05 -1.21 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1wap s SER 35 CO -0.07 -0.10 0.19 -0.70 1.20 0.00 0.00 173.24 173.76 1wap s GLU 36 N 1.44 3.99 0.06 5.44 2.56 0.09 -4.93 118.70 127.35 1wap s GLU 36 Ca 0.02 -0.29 -0.20 0.00 0.00 0.00 0.00 54.97 54.51 1wap s GLU 36 Cb -0.14 -3.62 -0.06 0.00 2.00 0.00 0.00 34.13 32.30 1wap s GLU 36 CO -0.10 -0.11 0.57 0.15 -0.56 0.00 0.00 175.26 175.22 1wap s LYS 37 N 1.55 4.23 -0.10 4.30 1.02 -1.26 -1.14 119.74 128.33 1wap s LYS 37 Ca 0.07 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.82 1wap s LYS 37 Cb -0.15 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1wap s LYS 37 CO 0.09 0.58 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.44 1wap s LEU 38 N -0.92 1.74 0.50 3.17 1.43 0.50 -4.97 118.68 120.13 1wap s LEU 38 Ca 0.29 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1wap s LEU 38 Cb -0.19 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1wap s LEU 38 CO 0.19 0.03 0.73 -1.81 0.23 0.00 0.00 176.35 175.72 1wap s ASP 39 N 0.87 5.60 -0.08 2.29 1.01 -1.26 -1.38 116.67 123.73 1wap s ASP 39 Ca -0.09 0.23 -0.39 0.00 0.71 0.00 0.00 52.55 53.01 1wap s ASP 39 Cb -0.15 -1.32 -0.17 0.00 1.01 0.00 0.00 42.92 42.29 1wap s ASP 39 CO 0.00 -0.90 1.48 1.17 0.21 0.00 0.00 175.17 177.13 1wap n LYS 40 N -2.23 1.00 0.00 8.23 4.81 -1.21 -0.19 118.16 128.57 1wap n LYS 40 Ca 0.04 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1wap n LYS 40 Cb 0.58 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1wap n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wap n GLY 41 N 3.11 2.45 3.85 3.14 0.00 0.75 -4.99 105.19 113.49 1wap n GLY 41 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1wap n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wap s GLU 42 N -0.25 3.86 -0.02 1.61 2.02 0.73 -4.78 118.70 121.87 1wap s GLU 42 Ca 0.00 0.93 0.04 0.00 0.02 0.00 0.00 54.97 55.96 1wap s GLU 42 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1wap s GLU 42 CO 0.00 -0.35 -0.13 0.08 0.02 0.00 0.00 175.26 174.88 1wap s VAL 43 N -2.72 1.07 -0.05 2.63 1.01 -1.26 -0.93 120.40 120.15 1wap s VAL 43 Ca 0.58 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1wap s VAL 43 Cb -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1wap s VAL 43 CO 0.36 0.31 -0.22 -0.51 0.00 0.00 0.00 175.10 175.03 1wap s ILE 44 N -0.15 1.84 -0.28 2.22 2.07 -0.18 -5.00 121.20 121.73 1wap s ILE 44 Ca 0.02 -0.95 -0.03 0.00 -1.41 0.00 0.00 60.65 58.27 1wap s ILE 44 Cb -0.07 -1.56 0.03 0.00 0.13 0.00 0.00 42.46 40.99 1wap s ILE 44 CO 0.00 0.52 0.00 -0.63 -1.91 0.00 0.00 174.94 172.92 1wap s ILE 45 N -0.13 3.27 -0.05 2.00 1.09 -1.26 -0.70 121.20 125.41 1wap s ILE 45 Ca -0.03 -1.01 0.05 0.00 -1.10 0.00 0.00 60.65 58.56 1wap s ILE 45 Cb -0.13 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.54 1wap s ILE 45 CO 0.03 0.07 -0.21 0.00 -0.10 0.00 0.00 174.94 174.74 1wap s ALA 46 N 1.36 1.83 0.45 9.38 0.00 -0.18 -4.95 121.76 129.66 1wap s ALA 46 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1wap s ALA 46 Cb -0.18 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1wap s ALA 46 CO -0.01 0.33 0.69 -0.65 0.00 0.00 0.00 175.76 176.11 1wap s GLN 47 N -0.01 3.22 0.33 0.00 -0.21 -1.26 -1.19 119.66 120.55 1wap s GLN 47 Ca -0.05 -0.29 -0.26 0.00 0.02 0.00 0.00 55.36 54.78 1wap s GLN 47 Cb -0.13 -2.52 -0.10 0.00 1.00 0.00 0.00 33.01 31.26 1wap s GLN 47 CO 0.03 -0.21 0.97 -0.06 -2.12 0.00 0.00 175.29 173.90 1wap s PHE 48 N -2.58 3.62 0.32 0.91 0.08 -0.39 -4.94 117.98 115.01 1wap s PHE 48 Ca 0.47 1.76 0.03 0.00 0.12 0.00 0.00 56.93 59.31 1wap s PHE 48 Cb -0.10 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.37 1wap s PHE 48 CO 0.39 0.06 0.35 0.25 -0.10 0.00 0.00 175.22 176.17 1wap n THR 49 N 0.47 0.00 -0.20 0.64 -2.24 -0.61 -4.65 114.28 107.70 1wap n THR 49 Ca 0.02 -2.04 0.14 0.00 -2.27 0.00 0.00 64.05 59.90 1wap n THR 49 Cb 0.50 1.10 0.46 0.00 -2.10 0.00 0.00 70.33 70.29 1wap n THR 49 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wap h GLU 50 N 0.00 0.50 0.00 -0.78 4.39 -2.02 -3.07 114.58 113.59 1wap h GLU 50 Ca -0.24 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1wap h GLU 50 Cb 1.13 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1wap h GLU 50 CO 0.33 0.33 -1.76 0.72 -1.16 0.00 0.00 179.01 177.47 1wap n HIS 51 N -4.50 0.14 -4.10 4.33 8.25 -1.26 -4.65 115.22 113.43 1wap n HIS 51 Ca 0.15 0.04 -0.32 0.00 -0.26 0.00 0.00 57.72 57.33 1wap n HIS 51 Cb 0.50 -0.52 -0.16 0.00 1.12 0.00 0.00 29.99 30.93 1wap n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wap s THR 52 N -3.45 1.94 0.00 1.59 2.01 -1.16 -1.22 115.64 115.35 1wap s THR 52 Ca -0.05 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1wap s THR 52 Cb 0.14 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1wap s THR 52 CO 0.89 0.52 0.41 -1.54 -0.69 0.00 0.00 174.62 174.21 1wap n SER 53 N 4.66 0.82 -3.78 3.53 3.41 -1.08 -1.57 113.62 119.61 1wap n SER 53 Ca -0.20 -0.94 -0.13 0.00 -0.26 0.00 0.00 58.87 57.35 1wap n SER 53 Cb 0.50 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1wap n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wap s ALA 54 N -0.12 -0.71 -0.06 7.33 0.00 -1.24 -5.04 121.76 121.93 1wap s ALA 54 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1wap s ALA 54 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1wap s ALA 54 CO 0.00 -0.21 -0.10 0.42 0.00 0.00 0.00 175.76 175.87 1wap s ILE 55 N -0.76 0.94 -0.06 0.00 1.01 -1.26 -1.26 121.20 119.82 1wap s ILE 55 Ca -0.08 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1wap s ILE 55 Cb -0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1wap s ILE 55 CO 0.02 0.31 -0.13 -0.75 0.00 0.00 0.00 174.94 174.39 1wap s LYS 56 N 0.72 2.57 -0.12 2.79 2.20 0.16 -4.95 119.74 123.12 1wap s LYS 56 Ca -0.13 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1wap s LYS 56 Cb -0.15 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1wap s LYS 56 CO 0.03 0.61 -0.23 0.08 -0.36 0.00 0.00 175.35 175.48 1wap s VAL 57 N -0.69 2.03 -0.13 4.02 1.01 -1.26 0.03 120.40 125.41 1wap s VAL 57 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wap s VAL 57 Cb -0.11 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1wap s VAL 57 CO 0.01 0.55 -0.16 -0.60 0.00 0.00 0.00 175.10 174.90 1wap s ARG 58 N 0.58 2.37 0.00 2.72 3.52 -0.45 -4.99 118.95 122.70 1wap s ARG 58 Ca -0.13 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1wap s ARG 58 Cb -0.17 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1wap s ARG 58 CO 0.04 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1wap n GLY 59 N 4.47 3.08 3.66 8.12 0.00 -1.24 -1.70 105.19 121.58 1wap n GLY 59 Ca -0.18 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1wap n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wap s GLU 60 N -3.20 4.20 0.17 1.61 2.12 -1.02 -4.23 118.70 118.35 1wap s GLU 60 Ca 0.00 2.02 -0.18 0.00 0.36 0.00 0.00 54.97 57.16 1wap s GLU 60 Cb 0.00 -3.91 0.04 0.00 0.26 0.00 0.00 34.13 30.52 1wap s GLU 60 CO 0.00 -0.80 0.51 0.00 -0.54 0.00 0.00 175.26 174.43 1wap s ALA 61 N 3.83 -1.06 -0.15 6.30 0.00 -0.96 -0.76 121.76 128.96 1wap s ALA 61 Ca 0.67 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1wap s ALA 61 Cb -0.30 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1wap s ALA 61 CO 0.25 -0.76 -0.02 -1.17 0.00 0.00 0.00 175.76 174.06 1wap s LEU 62 N -2.83 3.38 -0.10 0.00 2.96 -0.44 -1.72 118.68 119.93 1wap s LEU 62 Ca 0.06 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1wap s LEU 62 Cb -0.00 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1wap s LEU 62 CO -0.07 0.20 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.32 1wap s ILE 63 N 0.19 2.34 -0.11 6.68 1.01 0.28 -0.89 121.20 130.70 1wap s ILE 63 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1wap s ILE 63 Cb -0.13 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1wap s ILE 63 CO 0.02 0.56 -0.08 -1.10 0.00 0.00 0.00 174.94 174.34 1wap s GLN 64 N 0.18 3.22 0.33 2.79 -0.21 0.06 -1.25 119.66 124.78 1wap s GLN 64 Ca -0.12 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 54.73 1wap s GLN 64 Cb -0.16 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 1wap s GLN 64 CO 0.07 0.40 0.22 0.25 -2.12 0.00 0.00 175.29 174.10 1wap n THR 65 N 3.02 0.00 0.15 -0.19 -2.24 0.11 -1.10 114.28 114.04 1wap n THR 65 Ca -0.18 -2.20 0.19 0.00 -2.27 0.00 0.00 64.05 59.58 1wap n THR 65 Cb 0.53 1.00 0.70 0.00 -2.10 0.00 0.00 70.33 70.46 1wap n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wap h ALA 66 N 1.86 1.95 -0.44 6.98 0.00 -2.01 -1.81 119.26 125.79 1wap h ALA 66 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wap h ALA 66 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wap h ALA 66 CO 0.36 -0.67 0.00 0.66 0.00 0.00 0.00 179.25 179.60 1wap n TYR 67 N -3.36 0.57 0.00 0.00 4.01 -1.26 -5.08 117.16 112.04 1wap n TYR 67 Ca 0.06 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1wap n TYR 67 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1wap n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wap n GLY 68 N 1.54 -0.14 3.69 2.72 0.00 -0.68 -5.07 105.19 107.26 1wap n GLY 68 Ca 0.20 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1wap n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wap s GLU 69 N 0.00 2.52 -0.09 1.61 2.02 -1.26 -0.71 118.70 122.79 1wap s GLU 69 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 54.97 53.96 1wap s GLU 69 Cb 0.00 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1wap s GLU 69 CO 0.00 0.50 0.25 1.41 0.02 0.00 0.00 175.26 177.44 1wap s MET 70 N -2.61 0.31 -0.21 1.61 1.75 -0.38 -4.99 119.30 114.78 1wap s MET 70 Ca 0.27 0.30 -0.08 0.00 -1.25 0.00 0.00 55.69 54.93 1wap s MET 70 Cb -0.11 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 1wap s MET 70 CO 0.19 -0.04 0.08 0.15 -0.65 0.00 0.00 175.02 174.75 1wap s LYS 71 N 0.02 3.88 0.23 4.11 1.02 -1.26 -0.56 119.74 127.19 1wap s LYS 71 Ca -0.01 -0.38 -0.15 0.00 0.02 0.00 0.00 55.97 55.46 1wap s LYS 71 Cb -0.02 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.91 1wap s LYS 71 CO 0.01 0.09 0.64 -1.54 -0.92 0.00 0.00 175.35 173.63 1wap s SER 72 N 0.89 6.81 0.53 2.83 1.04 -0.70 -4.96 113.70 120.14 1wap s SER 72 Ca 0.04 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.61 1wap s SER 72 Cb -0.14 -2.33 -0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wap s SER 72 CO 0.03 -0.04 0.81 -1.61 0.98 0.00 0.00 173.24 173.41 1wap s GLU 73 N -2.46 3.06 0.34 4.02 0.41 -1.26 -2.26 118.70 120.54 1wap s GLU 73 Ca 0.46 -0.12 -0.28 0.00 -0.41 0.00 0.00 54.97 54.63 1wap s GLU 73 Cb -0.13 -2.37 -0.13 0.00 -1.78 0.00 0.00 34.13 29.72 1wap s GLU 73 CO 0.19 -0.49 1.19 1.63 -0.49 0.00 0.00 175.26 177.30 1wap n LYS 74 N -2.38 1.86 0.00 1.61 5.02 -1.26 -2.44 118.16 120.57 1wap n LYS 74 Ca 0.03 0.65 0.11 0.00 -2.02 0.00 0.00 58.31 57.08 1wap n LYS 74 Cb 0.57 -2.18 0.63 0.00 -0.02 0.00 0.00 35.03 34.03 1wap n LYS 74 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24