#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 0.52 0.01 -0.67 -0.12 -1.26 -1.13 117.98 115.33 1wap s PHE 9 Ca 0.00 -0.92 0.05 0.00 -0.05 0.00 0.00 56.93 56.01 1wap s PHE 9 Cb 0.00 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.15 1wap s PHE 9 CO 0.00 -0.60 -0.16 0.14 -0.05 0.00 0.00 175.22 174.56 1wap s VAL 10 N -3.97 1.23 -0.17 -2.49 -7.23 -0.34 -4.60 120.40 102.83 1wap s VAL 10 Ca 0.17 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1wap s VAL 10 Cb 0.05 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1wap s VAL 10 CO -0.02 0.24 0.02 -0.69 -0.31 0.00 0.00 175.10 174.34 1wap s VAL 11 N -0.54 4.44 -0.11 1.32 1.01 -0.11 -1.40 120.40 125.02 1wap s VAL 11 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wap s VAL 11 Cb -0.07 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1wap s VAL 11 CO 0.00 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 1wap s ILE 12 N 0.28 0.89 -0.18 2.22 1.01 -0.07 -0.48 121.20 124.86 1wap s ILE 12 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1wap s ILE 12 Cb -0.13 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1wap s ILE 12 CO 0.01 0.32 -0.04 -0.75 0.00 0.00 0.00 174.94 174.48 1wap s LYS 13 N 1.76 3.55 -0.08 2.79 2.20 0.08 -1.18 119.74 128.86 1wap s LYS 13 Ca 0.05 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1wap s LYS 13 Cb -0.13 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1wap s LYS 13 CO -0.08 0.06 1.06 0.00 -0.36 0.00 0.00 175.35 176.04 1wap s ALA 14 N 0.82 3.40 -0.57 3.13 0.00 -0.37 -1.41 121.76 126.76 1wap s ALA 14 Ca -0.01 0.47 0.18 0.00 0.00 0.00 0.00 51.96 52.61 1wap s ALA 14 Cb -0.15 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.30 1wap s ALA 14 CO 0.02 -0.60 0.65 0.28 0.00 0.00 0.00 175.76 176.11 1wap n VAL 15 N 4.47 0.00 -4.20 0.00 0.31 -0.23 0.16 118.33 118.84 1wap n VAL 15 Ca 0.09 -0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 1wap n VAL 15 Cb 0.48 0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 33.98 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 -2.93 1.03 0.56 5.55 -1.05 -1.20 -4.80 118.70 115.85 1wap s GLU 16 Ca 0.02 -1.49 -0.19 0.00 -0.15 0.00 0.00 54.97 53.15 1wap s GLU 16 Cb 0.13 -0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.74 1wap s GLU 16 CO 0.76 -0.19 1.14 -0.51 0.95 0.00 0.00 175.26 177.41 1wap s ASP 17 N -3.12 5.61 -0.53 0.83 1.01 -1.26 -3.61 116.67 115.61 1wap s ASP 17 Ca 0.24 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.71 1wap s ASP 17 Cb 0.07 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1wap s ASP 17 CO 0.03 -1.29 0.00 0.61 0.21 0.00 0.00 175.17 174.73 1wap n GLY 18 N 0.19 0.44 3.76 0.21 0.00 -0.50 -4.88 105.19 104.41 1wap n GLY 18 Ca 0.12 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.25 2.13 -0.20 1.61 1.01 -0.58 -4.77 120.40 117.35 1wap s VAL 19 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1wap s VAL 19 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1wap s VAL 19 CO 0.00 0.02 0.02 0.20 0.00 0.00 0.00 175.10 175.34 1wap s ASN 20 N 0.22 5.02 -0.35 3.32 -0.87 -0.48 -0.27 114.94 121.53 1wap s ASN 20 Ca 0.59 -0.15 -0.08 0.00 -1.57 0.00 0.00 52.86 51.65 1wap s ASN 20 Cb -0.47 -1.86 0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1wap s ASN 20 CO 0.53 0.08 0.14 -0.69 -2.57 0.00 0.00 177.10 174.59 1wap s VAL 21 N 0.94 4.13 -0.14 1.60 1.01 0.03 -1.00 120.40 126.97 1wap s VAL 21 Ca 0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1wap s VAL 21 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1wap s VAL 21 CO 0.02 -0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.23 1wap s ILE 22 N 1.48 3.37 -0.18 2.22 1.01 0.58 0.12 121.20 129.79 1wap s ILE 22 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1wap s ILE 22 Cb -0.19 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1wap s ILE 22 CO 0.04 0.51 0.22 -0.83 0.00 0.00 0.00 174.94 174.88 1wap s GLY 23 N 0.40 2.12 -0.07 6.18 0.00 0.90 -1.22 107.32 115.64 1wap s GLY 23 Ca -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 1wap s GLY 23 CO 0.04 0.31 0.13 1.08 0.00 0.00 0.00 173.10 174.66 1wap s LEU 24 N 0.46 4.23 0.25 0.66 2.01 -0.19 -0.55 118.68 125.55 1wap s LEU 24 Ca 0.12 0.35 -0.30 0.00 0.01 0.00 0.00 54.13 54.31 1wap s LEU 24 Cb -0.12 -2.24 -0.11 0.00 0.01 0.00 0.00 46.19 43.73 1wap s LEU 24 CO 0.01 0.34 1.54 0.42 1.01 0.00 0.00 176.35 179.67 1wap s THR 25 N -1.13 2.39 0.24 5.49 -4.23 0.03 -2.60 115.64 115.83 1wap s THR 25 Ca 0.20 0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 1wap s THR 25 Cb -0.12 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.43 1wap s THR 25 CO 0.10 0.04 1.11 -0.60 -0.54 0.00 0.00 174.62 174.73 1wap s ARG 26 N -0.10 4.61 0.00 3.99 3.52 -0.66 -4.55 118.95 125.76 1wap s ARG 26 Ca 0.63 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1wap s ARG 26 Cb -0.45 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 1wap s ARG 26 CO 0.43 0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.47 1wap n GLY 27 N 1.55 0.70 0.27 8.12 0.00 -1.26 -4.80 105.19 109.77 1wap n GLY 27 Ca 0.01 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.20 -3.02 2.61 1.35 -2.05 -3.43 112.91 109.58 1wap h THR 28 Ca 0.00 -0.81 -0.63 0.00 -0.55 0.00 0.00 66.41 64.42 1wap h THR 28 Cb 0.00 0.97 -0.06 0.00 -1.73 0.00 0.00 68.15 67.33 1wap h THR 28 CO 0.00 0.28 -0.54 -1.81 -0.25 0.00 0.00 175.52 173.19 1wap s ASP 29 N -6.74 6.00 -0.27 5.36 1.01 -1.26 -5.09 116.67 115.68 1wap s ASP 29 Ca -0.07 0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.35 1wap s ASP 29 Cb 0.15 -1.75 0.07 0.00 1.01 0.00 0.00 42.92 42.40 1wap s ASP 29 CO 0.77 0.17 -0.04 -0.89 0.21 0.00 0.00 175.17 175.38 1wap s THR 30 N -1.47 1.82 0.09 -1.27 2.01 -1.26 -4.60 115.64 110.97 1wap s THR 30 Ca 0.33 -1.56 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 1wap s THR 30 Cb -0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 1wap s THR 30 CO 0.25 -0.20 0.15 -1.59 -0.69 0.00 0.00 174.62 172.55 1wap s LYS 31 N 1.23 0.85 -0.05 4.92 -2.85 -1.26 -4.94 119.74 117.64 1wap s LYS 31 Ca -0.03 -1.07 -0.30 0.00 -1.00 0.00 0.00 55.97 53.58 1wap s LYS 31 Cb -0.19 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1wap s LYS 31 CO -0.07 -0.26 1.15 -0.06 0.10 0.00 0.00 175.35 176.20 1wap s PHE 32 N -3.90 3.32 -0.33 1.78 0.08 -1.26 -0.79 117.98 116.89 1wap s PHE 32 Ca 0.08 1.34 0.18 0.00 0.12 0.00 0.00 56.93 58.65 1wap s PHE 32 Cb 0.05 -3.35 -0.25 0.00 -0.57 0.00 0.00 43.02 38.90 1wap s PHE 32 CO -0.09 -1.00 0.53 -2.39 -0.10 0.00 0.00 175.22 172.18 1wap n HIS 33 N 4.92 0.00 -3.62 0.36 1.44 0.29 -4.91 115.22 113.70 1wap n HIS 33 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1wap n HIS 33 Cb 0.47 -0.26 -0.06 0.00 0.12 0.00 0.00 29.99 30.26 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 -3.03 -0.47 -0.17 -1.40 5.65 -1.23 -5.01 115.29 109.63 1wap s HIS 34 Ca -0.02 1.07 -0.00 0.00 0.25 0.00 0.00 55.06 56.36 1wap s HIS 34 Cb 0.12 0.38 0.04 0.00 -1.18 0.00 0.00 32.58 31.94 1wap s HIS 34 CO 0.74 -0.28 -0.07 0.45 -0.65 0.00 0.00 174.74 174.93 1wap s SER 35 N -0.16 2.93 -0.23 9.88 0.15 -1.26 -0.07 113.70 124.94 1wap s SER 35 Ca 0.01 -0.69 -0.14 0.00 0.70 0.00 0.00 55.95 55.84 1wap s SER 35 Cb -0.04 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1wap s SER 35 CO -0.03 -0.16 0.31 -0.70 1.20 0.00 0.00 173.24 173.86 1wap s GLU 36 N 1.57 4.10 -0.12 5.44 2.56 0.12 -4.91 118.70 127.46 1wap s GLU 36 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 54.97 54.78 1wap s GLU 36 Cb -0.15 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.37 1wap s GLU 36 CO -0.08 -0.06 0.57 0.21 -0.56 0.00 0.00 175.26 175.34 1wap s LYS 37 N 1.41 4.34 -0.08 4.30 2.47 -1.26 -0.79 119.74 130.13 1wap s LYS 37 Ca 0.14 0.60 0.02 0.00 -1.56 0.00 0.00 55.97 55.18 1wap s LYS 37 Cb -0.15 -3.47 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1wap s LYS 37 CO 0.07 0.05 -0.14 -0.51 0.16 0.00 0.00 175.35 174.99 1wap s LEU 38 N 0.92 2.70 0.53 5.43 1.43 0.63 -4.96 118.68 125.35 1wap s LEU 38 Ca 0.30 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1wap s LEU 38 Cb -0.16 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1wap s LEU 38 CO 0.13 0.28 0.79 -1.81 0.23 0.00 0.00 176.35 175.97 1wap s ASP 39 N -0.33 5.63 0.10 2.29 1.01 -1.26 -1.41 116.67 122.70 1wap s ASP 39 Ca 0.03 0.44 -0.34 0.00 0.71 0.00 0.00 52.55 53.38 1wap s ASP 39 Cb -0.13 -1.52 -0.14 0.00 1.01 0.00 0.00 42.92 42.15 1wap s ASP 39 CO 0.02 -0.93 1.61 1.17 0.21 0.00 0.00 175.17 177.25 1wap n LYS 40 N -2.35 2.01 0.00 8.23 4.81 -1.24 -1.79 118.16 127.83 1wap n LYS 40 Ca 0.04 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1wap n LYS 40 Cb 0.58 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 3.50 1.94 3.83 3.14 0.00 0.12 -4.96 105.19 112.76 1wap n GLY 41 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.78 4.10 0.01 1.61 2.02 -0.74 -4.80 118.70 120.12 1wap s GLU 42 Ca 0.00 0.99 0.06 0.00 0.02 0.00 0.00 54.97 56.04 1wap s GLU 42 Cb 0.00 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1wap s GLU 42 CO 0.00 -0.07 -0.18 0.08 0.02 0.00 0.00 175.26 175.10 1wap s VAL 43 N -2.29 1.47 -0.03 2.63 1.01 -1.26 -1.23 120.40 120.70 1wap s VAL 43 Ca 0.60 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1wap s VAL 43 Cb -0.09 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1wap s VAL 43 CO 0.19 0.31 -0.17 -0.51 0.00 0.00 0.00 175.10 174.93 1wap s ILE 44 N -0.57 1.37 -0.24 2.22 2.07 -0.33 -5.00 121.20 120.72 1wap s ILE 44 Ca 0.07 -0.71 -0.04 0.00 -1.41 0.00 0.00 60.65 58.56 1wap s ILE 44 Cb -0.08 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1wap s ILE 44 CO 0.00 0.39 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.76 1wap s ILE 45 N -0.13 3.36 -0.05 2.00 1.09 -1.26 -0.90 121.20 125.30 1wap s ILE 45 Ca 0.00 -0.62 0.04 0.00 -1.10 0.00 0.00 60.65 58.97 1wap s ILE 45 Cb -0.09 -2.59 0.00 0.00 -1.06 0.00 0.00 42.46 38.72 1wap s ILE 45 CO 0.01 0.33 -0.16 0.00 -0.10 0.00 0.00 174.94 175.02 1wap s ALA 46 N 1.45 1.50 0.41 9.38 0.00 -0.49 -4.95 121.76 129.06 1wap s ALA 46 Ca 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1wap s ALA 46 Cb -0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1wap s ALA 46 CO -0.03 0.24 0.64 -0.65 0.00 0.00 0.00 175.76 175.96 1wap s GLN 47 N 0.21 3.34 0.30 0.00 -0.21 -1.26 -1.20 119.66 120.84 1wap s GLN 47 Ca -0.07 -0.28 -0.23 0.00 0.02 0.00 0.00 55.36 54.80 1wap s GLN 47 Cb -0.13 -2.57 -0.09 0.00 1.00 0.00 0.00 33.01 31.22 1wap s GLN 47 CO 0.03 -0.07 0.86 -0.06 -2.12 0.00 0.00 175.29 173.93 1wap s PHE 48 N -2.49 3.61 0.30 0.91 0.08 -0.28 -4.95 117.98 115.17 1wap s PHE 48 Ca 0.44 1.60 0.01 0.00 0.12 0.00 0.00 56.93 59.11 1wap s PHE 48 Cb -0.10 -2.79 -0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1wap s PHE 48 CO 0.38 0.20 0.37 0.25 -0.10 0.00 0.00 175.22 176.33 1wap n THR 49 N 0.41 0.00 0.02 0.64 -2.24 -0.09 -4.59 114.28 108.43 1wap n THR 49 Ca 0.01 -1.77 0.11 0.00 -2.27 0.00 0.00 64.05 60.13 1wap n THR 49 Cb 0.51 1.00 0.55 0.00 -2.10 0.00 0.00 70.33 70.30 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 0.26 0.00 -0.78 3.07 -2.02 -3.00 114.58 112.11 1wap h GLU 50 Ca -0.23 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1wap h GLU 50 Cb 1.05 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1wap h GLU 50 CO 0.32 0.17 -1.58 0.72 -1.40 0.00 0.00 179.01 177.24 1wap n HIS 51 N -4.47 0.00 -3.99 4.33 8.25 -1.26 -4.65 115.22 113.44 1wap n HIS 51 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 1wap n HIS 51 Cb 0.30 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 -3.16 1.65 -0.04 1.59 2.01 -1.13 -1.65 115.64 114.91 1wap s THR 52 Ca -0.03 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1wap s THR 52 Cb 0.13 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1wap s THR 52 CO 0.79 0.08 0.68 -1.54 -0.69 0.00 0.00 174.62 173.94 1wap n SER 53 N 4.66 1.37 -3.73 3.53 3.41 -1.07 -0.91 113.62 120.88 1wap n SER 53 Ca -0.14 -1.35 -0.13 0.00 -0.26 0.00 0.00 58.87 56.99 1wap n SER 53 Cb 0.45 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.36 -1.01 -0.06 7.33 0.00 -1.25 -5.02 121.76 121.39 1wap s ALA 54 Ca 0.01 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1wap s ALA 54 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1wap s ALA 54 CO 0.00 -0.20 -0.12 0.42 0.00 0.00 0.00 175.76 175.87 1wap s ILE 55 N 0.15 1.07 -0.02 0.00 1.01 -1.26 -1.02 121.20 121.14 1wap s ILE 55 Ca -0.01 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1wap s ILE 55 Cb -0.03 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1wap s ILE 55 CO 0.01 0.34 -0.25 -0.75 0.00 0.00 0.00 174.94 174.28 1wap s LYS 56 N 0.58 2.03 -0.15 2.79 2.20 -0.36 -4.97 119.74 121.86 1wap s LYS 56 Ca -0.12 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 54.60 1wap s LYS 56 Cb -0.15 -1.97 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 1wap s LYS 56 CO 0.03 0.54 -0.20 0.08 -0.36 0.00 0.00 175.35 175.44 1wap s VAL 57 N -0.60 1.99 -0.19 4.02 1.01 -1.26 -0.31 120.40 125.06 1wap s VAL 57 Ca 0.10 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1wap s VAL 57 Cb -0.10 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1wap s VAL 57 CO -0.01 0.53 -0.11 -0.60 0.00 0.00 0.00 175.10 174.91 1wap s ARG 58 N 1.01 2.10 0.00 2.72 3.52 -0.17 -4.98 118.95 123.15 1wap s ARG 58 Ca -0.03 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1wap s ARG 58 Cb -0.15 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 1wap s ARG 58 CO -0.06 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1wap n GLY 59 N 4.71 2.79 3.64 8.12 0.00 -1.24 -1.38 105.19 121.83 1wap n GLY 59 Ca -0.15 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.49 3.90 0.00 1.61 2.12 -1.05 -4.10 118.70 118.69 1wap s GLU 60 Ca 0.00 1.92 -0.25 0.00 0.36 0.00 0.00 54.97 57.00 1wap s GLU 60 Cb 0.00 -4.05 0.06 0.00 0.26 0.00 0.00 34.13 30.40 1wap s GLU 60 CO 0.00 -1.18 0.56 0.00 -0.54 0.00 0.00 175.26 174.09 1wap s ALA 61 N 5.00 -1.44 -0.21 6.30 0.00 -0.68 -1.07 121.76 129.66 1wap s ALA 61 Ca 0.75 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 1wap s ALA 61 Cb -0.29 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1wap s ALA 61 CO 0.30 -0.42 0.15 -1.17 0.00 0.00 0.00 175.76 174.62 1wap s LEU 62 N -1.57 4.19 -0.09 0.00 0.20 -0.50 -0.49 118.68 120.42 1wap s LEU 62 Ca -0.09 0.21 0.04 0.00 0.69 0.00 0.00 54.13 54.98 1wap s LEU 62 Cb -0.01 -2.11 -0.00 0.00 -0.43 0.00 0.00 46.19 43.64 1wap s LEU 62 CO 0.04 0.14 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.38 1wap s ILE 63 N 0.56 2.17 -0.06 6.68 1.01 -0.32 -0.74 121.20 130.49 1wap s ILE 63 Ca 0.08 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1wap s ILE 63 Cb -0.12 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1wap s ILE 63 CO 0.00 0.56 -0.25 -1.10 0.00 0.00 0.00 174.94 174.15 1wap s GLN 64 N 0.20 2.59 0.37 2.79 -0.21 0.36 -1.51 119.66 124.25 1wap s GLN 64 Ca -0.14 -0.90 0.06 0.00 0.02 0.00 0.00 55.36 54.40 1wap s GLN 64 Cb -0.17 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 1wap s GLN 64 CO 0.07 0.35 0.22 0.95 -2.12 0.00 0.00 175.29 174.76 1wap s THR 65 N -0.10 0.23 0.53 -0.19 -4.23 -0.14 -0.93 115.64 110.81 1wap s THR 65 Ca -0.05 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.82 1wap s THR 65 Cb -0.14 -2.41 0.56 0.00 1.34 0.00 0.00 72.50 71.84 1wap s THR 65 CO 0.04 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.89 1wap h ALA 66 N 1.98 3.13 -0.03 3.99 0.00 -2.01 -1.73 119.26 124.58 1wap h ALA 66 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wap h ALA 66 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wap h ALA 66 CO 0.45 -1.51 0.00 0.66 0.00 0.00 0.00 179.25 178.85 1wap n TYR 67 N -4.21 0.01 0.00 0.00 4.01 -1.26 -5.05 117.16 110.67 1wap n TYR 67 Ca 0.28 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1wap n TYR 67 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.35 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 1.22 0.26 3.86 2.72 0.00 -0.65 -5.05 105.19 107.55 1wap n GLY 68 Ca 0.18 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 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 3.25 -0.05 1.61 2.02 -1.26 -0.97 118.70 123.30 1wap s GLU 69 Ca 0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 1wap s GLU 69 Cb 0.00 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1wap s GLU 69 CO 0.00 0.61 0.12 1.41 0.02 0.00 0.00 175.26 177.41 1wap s MET 70 N -2.35 0.10 -0.18 1.61 1.75 -0.57 -5.01 119.30 114.65 1wap s MET 70 Ca 0.31 0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.91 1wap s MET 70 Cb -0.13 -0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 1wap s MET 70 CO 0.24 -0.08 0.08 0.21 -0.65 0.00 0.00 175.02 174.82 1wap s LYS 71 N 0.53 4.02 0.25 4.11 2.20 -1.26 -1.17 119.74 128.41 1wap s LYS 71 Ca -0.04 -0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.13 1wap s LYS 71 Cb -0.05 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 1wap s LYS 71 CO -0.02 0.29 0.63 -1.54 -0.36 0.00 0.00 175.35 174.34 1wap s SER 72 N 0.34 6.74 0.42 1.43 1.04 0.36 -4.95 113.70 119.09 1wap s SER 72 Ca 0.04 1.11 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1wap s SER 72 Cb -0.12 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 1wap s SER 72 CO -0.00 -0.08 0.66 -1.61 0.98 0.00 0.00 173.24 173.18 1wap s GLU 73 N -2.68 3.28 0.29 4.02 0.41 -1.26 -1.69 118.70 121.08 1wap s GLU 73 Ca 0.48 -0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.46 1wap s GLU 73 Cb -0.12 -2.55 -0.14 0.00 -1.78 0.00 0.00 34.13 29.54 1wap s GLU 73 CO 0.19 -0.13 0.99 1.63 -0.49 0.00 0.00 175.26 177.46 1wap n LYS 74 N -2.03 1.30 0.00 1.61 5.02 -1.26 -2.53 118.16 120.27 1wap n LYS 74 Ca -0.01 0.45 0.05 0.00 -2.02 0.00 0.00 58.31 56.79 1wap n LYS 74 Cb 0.57 -1.81 0.29 0.00 -0.02 0.00 0.00 35.03 34.06 1wap n LYS 74 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24