#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 0.82 0.11 -0.67 -0.12 -1.26 -1.54 117.98 115.32 1wap s PHE 9 Ca 0.00 -1.13 0.06 0.00 -0.05 0.00 0.00 56.93 55.82 1wap s PHE 9 Cb 0.00 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 1wap s PHE 9 CO 0.00 -0.68 -0.16 0.14 -0.05 0.00 0.00 175.22 174.47 1wap s VAL 10 N -4.07 1.41 -0.18 -2.49 -7.23 -0.67 -4.68 120.40 102.49 1wap s VAL 10 Ca 0.29 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1wap s VAL 10 Cb 0.05 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1wap s VAL 10 CO 0.07 -0.27 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.84 1wap s VAL 11 N -1.65 3.43 -0.10 1.32 1.01 -0.50 -1.60 120.40 122.30 1wap s VAL 11 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1wap s VAL 11 Cb -0.08 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1wap s VAL 11 CO 0.03 0.46 -0.17 -0.63 0.00 0.00 0.00 175.10 174.80 1wap s ILE 12 N 0.94 1.59 -0.18 2.22 1.01 0.16 -1.26 121.20 125.68 1wap s ILE 12 Ca -0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1wap s ILE 12 Cb -0.15 -1.43 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 1wap s ILE 12 CO 0.01 0.46 -0.11 -0.75 0.00 0.00 0.00 174.94 174.55 1wap s LYS 13 N 0.82 3.30 -0.04 2.79 2.20 0.93 -1.33 119.74 128.40 1wap s LYS 13 Ca -0.10 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1wap s LYS 13 Cb -0.16 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1wap s LYS 13 CO 0.01 -0.05 1.25 0.00 -0.36 0.00 0.00 175.35 176.20 1wap s ALA 14 N 1.04 3.52 -0.34 3.13 0.00 -0.43 -0.63 121.76 128.05 1wap s ALA 14 Ca -0.00 0.68 0.22 0.00 0.00 0.00 0.00 51.96 52.86 1wap s ALA 14 Cb -0.15 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.29 1wap s ALA 14 CO -0.02 -0.81 0.80 0.28 0.00 0.00 0.00 175.76 176.01 1wap n VAL 15 N 4.65 0.18 -4.27 0.00 0.31 -0.20 -0.23 118.33 118.76 1wap n VAL 15 Ca 0.12 -0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 1wap n VAL 15 Cb 0.45 0.09 -0.10 0.00 -0.91 0.00 0.00 33.84 33.38 1wap n VAL 15 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wap s GLU 16 N -3.34 1.36 0.81 5.55 0.41 -1.18 -4.74 118.70 117.57 1wap s GLU 16 Ca -0.01 -1.74 -0.11 0.00 -0.41 0.00 0.00 54.97 52.70 1wap s GLU 16 Cb 0.13 -0.03 0.08 0.00 -1.78 0.00 0.00 34.13 32.53 1wap s GLU 16 CO 0.85 -0.36 1.09 -0.51 -0.49 0.00 0.00 175.26 175.84 1wap s ASP 17 N -3.26 4.26 -1.43 -0.19 1.01 -1.26 -3.39 116.67 112.40 1wap s ASP 17 Ca 0.38 1.64 -0.03 0.00 0.71 0.00 0.00 52.55 55.25 1wap s ASP 17 Cb 0.07 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1wap s ASP 17 CO 0.14 -2.16 0.42 0.61 0.21 0.00 0.00 175.17 174.39 1wap n GLY 18 N -1.36 -0.39 3.78 0.21 0.00 -1.20 -4.86 105.19 101.37 1wap n GLY 18 Ca 0.08 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.07 3.34 -0.13 1.61 1.01 -0.97 -4.83 120.40 117.36 1wap s VAL 19 Ca 0.21 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1wap s VAL 19 Cb -0.09 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1wap s VAL 19 CO 0.26 -0.01 -0.21 0.20 0.00 0.00 0.00 175.10 175.34 1wap s ASN 20 N -1.44 3.00 -0.31 3.32 -0.87 -0.68 -0.35 114.94 117.61 1wap s ASN 20 Ca 0.61 -0.57 -0.07 0.00 -1.57 0.00 0.00 52.86 51.26 1wap s ASN 20 Cb -0.26 -1.38 0.01 0.00 -0.02 0.00 0.00 41.25 39.60 1wap s ASN 20 CO 0.32 0.09 0.10 -0.69 -2.57 0.00 0.00 177.10 174.35 1wap s VAL 21 N 0.72 4.09 -0.16 1.60 1.01 0.63 -1.83 120.40 126.46 1wap s VAL 21 Ca -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1wap s VAL 21 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1wap s VAL 21 CO 0.01 0.03 -0.04 -0.63 0.00 0.00 0.00 175.10 174.46 1wap s ILE 22 N 1.51 3.77 -0.09 2.22 1.01 0.55 -0.11 121.20 130.06 1wap s ILE 22 Ca 0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1wap s ILE 22 Cb -0.18 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1wap s ILE 22 CO 0.03 0.48 0.41 -0.83 0.00 0.00 0.00 174.94 175.03 1wap s GLY 23 N 0.53 2.38 -0.11 6.18 0.00 -0.01 -1.42 107.32 114.87 1wap s GLY 23 Ca -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.38 1wap s GLY 23 CO 0.03 0.47 0.06 1.08 0.00 0.00 0.00 173.10 174.74 1wap s LEU 24 N -0.02 3.94 0.25 0.66 1.02 -0.54 -0.96 118.68 123.03 1wap s LEU 24 Ca 0.23 0.28 -0.30 0.00 0.02 0.00 0.00 54.13 54.36 1wap s LEU 24 Cb -0.15 -1.93 -0.10 0.00 0.02 0.00 0.00 46.19 44.02 1wap s LEU 24 CO 0.10 0.38 1.47 0.42 0.02 0.00 0.00 176.35 178.74 1wap s THR 25 N -0.86 2.56 0.18 5.49 -4.23 -0.05 -2.37 115.64 116.36 1wap s THR 25 Ca 0.13 0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.81 1wap s THR 25 Cb -0.12 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.35 1wap s THR 25 CO 0.03 0.07 1.06 -0.60 -0.54 0.00 0.00 174.62 174.64 1wap s ARG 26 N -0.35 4.64 0.00 3.99 3.52 -0.67 -4.56 118.95 125.53 1wap s ARG 26 Ca 0.60 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1wap s ARG 26 Cb -0.43 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1wap s ARG 26 CO 0.44 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.49 1wap n GLY 27 N 1.97 0.82 0.21 8.12 0.00 -1.26 -4.82 105.19 110.22 1wap n GLY 27 Ca 0.02 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 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 1.28 -2.78 2.61 1.35 -2.06 -3.42 112.91 109.89 1wap h THR 28 Ca 0.00 -1.33 -0.54 0.00 -0.55 0.00 0.00 66.41 63.99 1wap h THR 28 Cb 0.00 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1wap h THR 28 CO 0.00 0.40 -0.37 -1.81 -0.25 0.00 0.00 175.52 173.49 1wap s ASP 29 N -6.87 6.38 -0.27 5.36 1.01 -1.26 -5.09 116.67 115.92 1wap s ASP 29 Ca -0.05 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.56 1wap s ASP 29 Cb 0.14 -1.98 0.08 0.00 1.01 0.00 0.00 42.92 42.16 1wap s ASP 29 CO 0.76 -0.01 0.02 -0.89 0.21 0.00 0.00 175.17 175.27 1wap s THR 30 N -1.82 1.36 0.16 -1.27 2.01 -1.26 -4.62 115.64 110.20 1wap s THR 30 Ca 0.37 -1.42 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1wap s THR 30 Cb -0.11 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1wap s THR 30 CO 0.29 -0.38 0.17 -1.59 -0.69 0.00 0.00 174.62 172.42 1wap s LYS 31 N 1.42 1.09 -0.06 4.92 -2.85 -1.26 -4.93 119.74 118.07 1wap s LYS 31 Ca 0.03 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.34 1wap s LYS 31 Cb -0.18 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1wap s LYS 31 CO -0.13 -0.36 1.22 -0.06 0.10 0.00 0.00 175.35 176.12 1wap s PHE 32 N -4.03 3.14 -0.31 1.78 0.08 -1.26 -0.87 117.98 116.51 1wap s PHE 32 Ca 0.24 1.18 0.18 0.00 0.12 0.00 0.00 56.93 58.64 1wap s PHE 32 Cb 0.05 -3.44 -0.25 0.00 -0.57 0.00 0.00 43.02 38.82 1wap s PHE 32 CO 0.03 -1.41 0.52 -2.39 -0.10 0.00 0.00 175.22 171.88 1wap n HIS 33 N 5.33 0.00 -3.63 0.36 1.44 -0.14 -4.93 115.22 113.65 1wap n HIS 33 Ca 0.11 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.71 1wap n HIS 33 Cb 0.46 -0.26 -0.07 0.00 0.12 0.00 0.00 29.99 30.24 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 -0.70 -0.17 -1.40 5.65 -1.23 -5.01 115.29 109.39 1wap s HIS 34 Ca -0.02 1.68 0.01 0.00 0.25 0.00 0.00 55.06 56.98 1wap s HIS 34 Cb 0.12 0.32 0.03 0.00 -1.18 0.00 0.00 32.58 31.87 1wap s HIS 34 CO 0.74 -0.34 -0.14 0.45 -0.65 0.00 0.00 174.74 174.80 1wap s SER 35 N 0.43 3.00 -0.25 9.88 0.15 -1.26 -0.83 113.70 124.82 1wap s SER 35 Ca 0.00 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 55.88 1wap s SER 35 Cb -0.05 -1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1wap s SER 35 CO -0.03 -0.08 0.22 -0.70 1.20 0.00 0.00 173.24 173.85 1wap s GLU 36 N 1.43 4.04 -0.02 5.44 2.56 0.84 -4.88 118.70 128.11 1wap s GLU 36 Ca 0.03 -0.19 -0.23 0.00 0.00 0.00 0.00 54.97 54.58 1wap s GLU 36 Cb -0.14 -3.58 -0.05 0.00 2.00 0.00 0.00 34.13 32.36 1wap s GLU 36 CO -0.10 -0.05 0.69 0.21 -0.56 0.00 0.00 175.26 175.44 1wap s LYS 37 N 1.39 4.42 -0.08 4.30 2.20 -1.26 -0.27 119.74 130.44 1wap s LYS 37 Ca 0.10 0.89 0.04 0.00 -0.36 0.00 0.00 55.97 56.63 1wap s LYS 37 Cb -0.15 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1wap s LYS 37 CO 0.07 0.22 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.57 1wap s LEU 38 N 0.26 2.35 0.36 5.43 1.43 0.53 -4.97 118.68 124.06 1wap s LEU 38 Ca 0.36 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1wap s LEU 38 Cb -0.19 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1wap s LEU 38 CO 0.19 0.22 0.51 -1.81 0.23 0.00 0.00 176.35 175.70 1wap s ASP 39 N -0.02 5.97 -0.16 2.29 1.01 -1.26 -2.30 116.67 122.20 1wap s ASP 39 Ca -0.06 -0.03 -0.41 0.00 0.71 0.00 0.00 52.55 52.76 1wap s ASP 39 Cb -0.15 -1.38 -0.18 0.00 1.01 0.00 0.00 42.92 42.22 1wap s ASP 39 CO 0.05 -0.47 1.41 1.17 0.21 0.00 0.00 175.17 177.54 1wap n LYS 40 N -1.74 0.55 0.00 8.23 4.81 -1.22 -0.75 118.16 128.04 1wap n LYS 40 Ca -0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1wap n LYS 40 Cb 0.58 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 2.94 2.46 3.83 3.14 0.00 0.68 -4.96 105.19 113.27 1wap n GLY 41 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.29 3.77 -0.01 1.61 2.02 0.07 -4.79 118.70 121.07 1wap s GLU 42 Ca 0.00 1.06 0.05 0.00 0.02 0.00 0.00 54.97 56.10 1wap s GLU 42 Cb 0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1wap s GLU 42 CO 0.00 -0.43 -0.16 0.08 0.02 0.00 0.00 175.26 174.77 1wap s VAL 43 N -2.51 1.26 -0.04 2.63 1.01 -1.26 -1.32 120.40 120.17 1wap s VAL 43 Ca 0.61 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1wap s VAL 43 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1wap s VAL 43 CO 0.31 0.32 -0.17 -0.51 0.00 0.00 0.00 175.10 175.05 1wap s ILE 44 N -0.43 1.43 -0.27 2.22 2.07 -0.44 -5.00 121.20 120.77 1wap s ILE 44 Ca 0.06 -0.73 -0.04 0.00 -1.41 0.00 0.00 60.65 58.53 1wap s ILE 44 Cb -0.06 -1.21 0.02 0.00 0.13 0.00 0.00 42.46 41.33 1wap s ILE 44 CO -0.00 0.41 0.00 -0.63 -1.91 0.00 0.00 174.94 172.81 1wap s ILE 45 N -0.08 3.34 -0.07 2.00 1.09 -1.26 -0.66 121.20 125.56 1wap s ILE 45 Ca -0.01 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.66 1wap s ILE 45 Cb -0.10 -2.73 -0.00 0.00 -1.06 0.00 0.00 42.46 38.56 1wap s ILE 45 CO 0.01 0.12 -0.22 0.00 -0.10 0.00 0.00 174.94 174.75 1wap s ALA 46 N 1.39 1.94 0.53 9.38 0.00 -0.63 -4.95 121.76 129.41 1wap s ALA 46 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1wap s ALA 46 Cb -0.17 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1wap s ALA 46 CO -0.01 0.31 0.81 -0.65 0.00 0.00 0.00 175.76 176.22 1wap s GLN 47 N 0.14 3.08 0.28 0.00 -0.21 -1.26 -1.67 119.66 120.03 1wap s GLN 47 Ca -0.10 -0.10 -0.24 0.00 0.02 0.00 0.00 55.36 54.94 1wap s GLN 47 Cb -0.15 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.39 1wap s GLN 47 CO 0.05 -0.48 0.86 -0.06 -2.12 0.00 0.00 175.29 173.54 1wap s PHE 48 N -2.81 3.68 0.27 0.91 0.08 -0.59 -4.94 117.98 114.57 1wap s PHE 48 Ca 0.51 1.63 -0.00 0.00 0.12 0.00 0.00 56.93 59.18 1wap s PHE 48 Cb -0.10 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1wap s PHE 48 CO 0.43 0.26 0.36 0.25 -0.10 0.00 0.00 175.22 176.42 1wap n THR 49 N 0.63 0.00 0.01 0.64 -2.24 -0.40 -4.61 114.28 108.31 1wap n THR 49 Ca 0.00 -1.46 0.11 0.00 -2.27 0.00 0.00 64.05 60.43 1wap n THR 49 Cb 0.50 0.87 0.54 0.00 -2.10 0.00 0.00 70.33 70.15 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 0.28 0.00 -0.78 3.07 -2.02 -2.91 114.58 112.22 1wap h GLU 50 Ca -0.21 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1wap h GLU 50 Cb 0.93 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1wap h GLU 50 CO 0.29 0.19 -1.67 0.72 -1.40 0.00 0.00 179.01 177.14 1wap n HIS 51 N -4.47 0.00 -4.05 4.33 8.25 -1.26 -4.66 115.22 113.36 1wap n HIS 51 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 1wap n HIS 51 Cb 0.30 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 30.91 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 -3.23 1.93 -0.03 1.59 2.01 -1.10 -1.67 115.64 115.14 1wap s THR 52 Ca -0.04 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.76 1wap s THR 52 Cb 0.13 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1wap s THR 52 CO 0.81 0.20 0.47 -1.54 -0.69 0.00 0.00 174.62 173.87 1wap n SER 53 N 4.58 0.95 -3.68 3.53 3.41 -1.00 -1.28 113.62 120.14 1wap n SER 53 Ca -0.16 -0.98 -0.15 0.00 -0.26 0.00 0.00 58.87 57.33 1wap n SER 53 Cb 0.46 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.09 -1.17 -0.05 7.33 0.00 -1.25 -5.03 121.76 121.50 1wap s ALA 54 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1wap s ALA 54 Cb 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1wap s ALA 54 CO 0.00 -0.28 -0.08 0.42 0.00 0.00 0.00 175.76 175.82 1wap s ILE 55 N -0.82 0.81 -0.07 0.00 1.01 -1.26 -1.47 121.20 119.40 1wap s ILE 55 Ca -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1wap s ILE 55 Cb -0.03 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1wap s ILE 55 CO 0.05 0.28 -0.15 -0.75 0.00 0.00 0.00 174.94 174.37 1wap s LYS 56 N 0.69 2.70 -0.13 2.79 2.20 -0.51 -4.96 119.74 122.53 1wap s LYS 56 Ca -0.12 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1wap s LYS 56 Cb -0.14 -2.42 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1wap s LYS 56 CO 0.02 0.52 -0.20 0.08 -0.36 0.00 0.00 175.35 175.40 1wap s VAL 57 N -0.45 2.34 -0.08 4.02 1.01 -1.26 -0.33 120.40 125.64 1wap s VAL 57 Ca 0.06 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1wap s VAL 57 Cb -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1wap s VAL 57 CO 0.02 0.54 -0.11 -0.60 0.00 0.00 0.00 175.10 174.95 1wap s ARG 58 N 0.55 1.63 0.00 2.72 3.52 -0.76 -4.97 118.95 121.65 1wap s ARG 58 Ca -0.12 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wap s ARG 58 Cb -0.17 -1.46 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1wap s ARG 58 CO 0.04 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 1wap n GLY 59 N 4.19 2.03 3.63 8.12 0.00 -1.25 -1.69 105.19 120.21 1wap n GLY 59 Ca -0.20 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 -1.80 3.97 0.03 1.61 2.12 -1.26 -3.29 118.70 120.08 1wap s GLU 60 Ca 0.00 0.88 -0.22 0.00 0.36 0.00 0.00 54.97 55.99 1wap s GLU 60 Cb 0.00 -3.77 0.05 0.00 0.26 0.00 0.00 34.13 30.67 1wap s GLU 60 CO 0.00 -0.96 0.50 0.00 -0.54 0.00 0.00 175.26 174.27 1wap s ALA 61 N 3.67 -1.28 -0.14 6.30 0.00 -0.73 -1.04 121.76 128.54 1wap s ALA 61 Ca 0.43 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 1wap s ALA 61 Cb -0.12 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1wap s ALA 61 CO 0.18 -0.45 0.00 -1.17 0.00 0.00 0.00 175.76 174.32 1wap s LEU 62 N -1.80 3.50 -0.09 0.00 2.96 0.20 -1.09 118.68 122.35 1wap s LEU 62 Ca -0.07 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1wap s LEU 62 Cb -0.01 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1wap s LEU 62 CO 0.00 0.23 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.42 1wap s ILE 63 N 0.02 2.34 -0.07 6.68 1.01 -0.31 -0.05 121.20 130.82 1wap s ILE 63 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1wap s ILE 63 Cb -0.13 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1wap s ILE 63 CO 0.02 0.56 -0.21 -1.10 0.00 0.00 0.00 174.94 174.21 1wap s GLN 64 N 0.13 2.70 0.17 2.79 -0.21 -0.39 -1.69 119.66 123.16 1wap s GLN 64 Ca -0.11 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.47 1wap s GLN 64 Cb -0.16 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 1wap s GLN 64 CO 0.06 0.40 0.08 0.25 -2.12 0.00 0.00 175.29 173.96 1wap n THR 65 N 2.93 0.00 0.33 -0.19 -2.24 -0.65 -1.41 114.28 113.05 1wap n THR 65 Ca -0.18 -1.03 0.21 0.00 -2.27 0.00 0.00 64.05 60.79 1wap n THR 65 Cb 0.52 0.40 1.15 0.00 -2.10 0.00 0.00 70.33 70.30 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 1.33 1.13 -0.63 6.98 0.00 -2.01 -2.89 119.26 123.17 1wap h ALA 66 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wap h ALA 66 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wap h ALA 66 CO 0.20 -0.02 0.00 0.66 0.00 0.00 0.00 179.25 180.09 1wap n TYR 67 N -3.24 1.31 0.00 0.00 4.01 -1.26 -5.07 117.16 112.90 1wap n TYR 67 Ca -0.03 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 1wap n TYR 67 Cb 0.09 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 1.11 -0.11 3.79 2.72 0.00 -1.09 -5.06 105.19 106.54 1wap n GLY 68 Ca 0.24 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 2.92 -0.12 1.61 2.02 -1.26 -1.64 118.70 122.23 1wap s GLU 69 Ca 0.00 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 1wap s GLU 69 Cb 0.00 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.55 1wap s GLU 69 CO 0.00 0.54 0.33 1.41 0.02 0.00 0.00 175.26 177.55 1wap s MET 70 N -2.69 0.40 -0.20 1.61 1.75 -0.68 -5.01 119.30 114.48 1wap s MET 70 Ca 0.30 0.42 -0.05 0.00 -1.25 0.00 0.00 55.69 55.12 1wap s MET 70 Cb -0.11 0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 1wap s MET 70 CO 0.23 -0.05 -0.00 0.21 -0.65 0.00 0.00 175.02 174.76 1wap s LYS 71 N 0.10 3.63 0.32 4.11 2.47 -1.26 -1.16 119.74 127.95 1wap s LYS 71 Ca -0.01 -0.52 -0.06 0.00 -1.56 0.00 0.00 55.97 53.83 1wap s LYS 71 Cb -0.02 -3.07 -0.05 0.00 -1.46 0.00 0.00 37.83 33.22 1wap s LYS 71 CO 0.01 0.03 0.61 -1.54 0.16 0.00 0.00 175.35 174.61 1wap s SER 72 N 0.94 6.45 0.18 1.43 1.04 -0.25 -4.95 113.70 118.54 1wap s SER 72 Ca 0.01 0.80 0.10 0.00 0.48 0.00 0.00 55.95 57.34 1wap s SER 72 Cb -0.14 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1wap s SER 72 CO 0.02 -0.25 -0.21 -1.61 0.98 0.00 0.00 173.24 172.17 1wap s GLU 73 N -3.66 1.40 0.00 4.02 0.41 -1.21 -1.78 118.70 117.88 1wap s GLU 73 Ca 0.45 -1.48 0.32 0.00 -0.41 0.00 0.00 54.97 53.85 1wap s GLU 73 Cb -0.11 -1.57 1.84 0.00 -1.78 0.00 0.00 34.13 32.51 1wap s GLU 73 CO 0.31 0.33 2.19 0.36 -0.49 0.00 0.00 175.26 177.96