#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 0.71 0.04 -0.67 -0.12 -1.26 -1.36 117.98 115.31 1wap s PHE 9 Ca 0.00 -1.04 0.09 0.00 -0.05 0.00 0.00 56.93 55.92 1wap s PHE 9 Cb 0.00 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1wap s PHE 9 CO 0.00 -0.66 -0.24 0.14 -0.05 0.00 0.00 175.22 174.41 1wap s VAL 10 N -4.04 1.96 -0.22 -2.49 -7.23 0.48 -4.75 120.40 104.11 1wap s VAL 10 Ca 0.24 -1.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1wap s VAL 10 Cb 0.05 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1wap s VAL 10 CO 0.04 0.31 0.10 -0.69 -0.31 0.00 0.00 175.10 174.54 1wap s VAL 11 N -0.80 4.87 -0.10 1.32 1.01 -0.59 -1.16 120.40 124.95 1wap s VAL 11 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1wap s VAL 11 Cb -0.10 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1wap s VAL 11 CO 0.02 0.39 -0.11 -0.63 0.00 0.00 0.00 175.10 174.77 1wap s ILE 12 N 0.89 1.20 -0.19 2.22 1.01 -0.25 -0.81 121.20 125.26 1wap s ILE 12 Ca 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1wap s ILE 12 Cb -0.13 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1wap s ILE 12 CO 0.03 0.39 -0.07 -0.75 0.00 0.00 0.00 174.94 174.53 1wap s LYS 13 N 1.24 3.37 -0.01 2.79 2.20 -0.12 -0.48 119.74 128.73 1wap s LYS 13 Ca -0.03 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 1wap s LYS 13 Cb -0.14 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1wap s LYS 13 CO -0.04 -0.08 1.37 0.00 -0.36 0.00 0.00 175.35 176.24 1wap s ALA 14 N 1.14 3.57 -0.14 3.13 0.00 -0.48 -0.97 121.76 128.02 1wap s ALA 14 Ca 0.01 0.84 0.17 0.00 0.00 0.00 0.00 51.96 52.98 1wap s ALA 14 Cb -0.14 -3.59 -0.24 0.00 0.00 0.00 0.00 23.12 19.15 1wap s ALA 14 CO -0.02 -0.90 0.33 0.28 0.00 0.00 0.00 175.76 175.45 1wap n VAL 15 N 4.67 1.27 -4.29 0.00 0.31 -0.01 0.29 118.33 120.56 1wap n VAL 15 Ca 0.13 -0.79 -0.16 0.00 -0.01 0.00 0.00 64.34 63.51 1wap n VAL 15 Cb 0.44 -0.57 -0.10 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.67 1.28 0.74 5.55 2.02 -1.10 -4.74 118.70 119.79 1wap s GLU 16 Ca -0.08 -1.65 -0.11 0.00 0.02 0.00 0.00 54.97 53.15 1wap s GLU 16 Cb 0.08 -0.37 0.04 0.00 0.10 0.00 0.00 34.13 33.98 1wap s GLU 16 CO 0.84 -0.18 1.09 -0.51 0.02 0.00 0.00 175.26 176.52 1wap s ASP 17 N -3.26 4.74 -1.35 -0.19 1.01 -1.26 -3.74 116.67 112.62 1wap s ASP 17 Ca 0.30 1.81 -0.08 0.00 0.71 0.00 0.00 52.55 55.29 1wap s ASP 17 Cb 0.07 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.49 1wap s ASP 17 CO 0.09 -1.88 1.16 0.61 0.21 0.00 0.00 175.17 175.36 1wap n GLY 18 N -1.23 -0.53 3.77 0.21 0.00 -1.14 -4.84 105.19 101.43 1wap n GLY 18 Ca 0.09 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.33 3.21 -0.09 1.61 1.01 -0.83 -4.82 120.40 117.17 1wap s VAL 19 Ca 0.53 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.42 1wap s VAL 19 Cb -0.23 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1wap s VAL 19 CO 0.73 -0.04 -0.20 0.20 0.00 0.00 0.00 175.10 175.79 1wap s ASN 20 N -1.48 2.67 -0.32 3.32 -0.87 -0.48 -0.63 114.94 117.16 1wap s ASN 20 Ca 0.65 -0.48 -0.07 0.00 -1.57 0.00 0.00 52.86 51.39 1wap s ASN 20 Cb -0.27 -1.22 0.02 0.00 -0.02 0.00 0.00 41.25 39.77 1wap s ASN 20 CO 0.32 0.11 0.09 -0.69 -2.57 0.00 0.00 177.10 174.36 1wap s VAL 21 N 0.51 3.85 -0.16 1.60 1.01 0.36 -1.47 120.40 126.10 1wap s VAL 21 Ca -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1wap s VAL 21 Cb -0.17 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1wap s VAL 21 CO 0.06 -0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.40 1wap s ILE 22 N 1.45 3.31 -0.07 2.22 1.01 0.00 0.70 121.20 129.82 1wap s ILE 22 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1wap s ILE 22 Cb -0.18 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1wap s ILE 22 CO 0.02 0.49 0.35 -0.83 0.00 0.00 0.00 174.94 174.98 1wap s GLY 23 N 0.67 2.36 -0.10 6.18 0.00 0.02 -0.89 107.32 115.56 1wap s GLY 23 Ca -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 1wap s GLY 23 CO 0.02 0.24 0.06 1.08 0.00 0.00 0.00 173.10 174.50 1wap s LEU 24 N -0.42 3.90 0.23 0.66 1.02 -0.38 -1.20 118.68 122.49 1wap s LEU 24 Ca 0.21 0.27 -0.30 0.00 0.02 0.00 0.00 54.13 54.33 1wap s LEU 24 Cb -0.15 -1.93 -0.10 0.00 0.02 0.00 0.00 46.19 44.03 1wap s LEU 24 CO 0.09 0.39 1.46 0.42 0.02 0.00 0.00 176.35 178.73 1wap s THR 25 N -0.95 2.67 0.23 5.49 -4.23 0.06 -2.44 115.64 116.47 1wap s THR 25 Ca 0.14 0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 60.91 1wap s THR 25 Cb -0.12 -3.35 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 1wap s THR 25 CO 0.03 0.08 1.21 -0.60 -0.54 0.00 0.00 174.62 174.81 1wap s ARG 26 N -0.11 4.49 0.00 3.99 3.52 -0.69 -4.54 118.95 125.61 1wap s ARG 26 Ca 0.61 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1wap s ARG 26 Cb -0.42 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1wap s ARG 26 CO 0.41 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.25 1wap n GLY 27 N 1.75 0.82 0.36 8.12 0.00 -1.26 -4.82 105.19 110.16 1wap n GLY 27 Ca 0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 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 1.23 -3.23 2.61 1.35 -2.05 -3.42 112.91 109.39 1wap h THR 28 Ca 0.00 -0.45 -0.57 0.00 -0.55 0.00 0.00 66.41 64.84 1wap h THR 28 Cb 0.00 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 66.35 1wap h THR 28 CO 0.00 0.23 -0.21 -1.81 -0.25 0.00 0.00 175.52 173.48 1wap s ASP 29 N -6.26 6.62 -0.28 5.36 1.11 -1.26 -5.09 116.67 116.88 1wap s ASP 29 Ca -0.12 0.81 0.00 0.00 0.18 0.00 0.00 52.55 53.43 1wap s ASP 29 Cb 0.18 -2.18 0.08 0.00 1.07 0.00 0.00 42.92 42.07 1wap s ASP 29 CO 0.80 0.07 0.04 -0.89 1.18 0.00 0.00 175.17 176.37 1wap s THR 30 N -1.57 1.32 0.06 -1.27 2.01 -1.26 -4.60 115.64 110.32 1wap s THR 30 Ca 0.39 -1.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 1wap s THR 30 Cb -0.13 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1wap s THR 30 CO 0.21 -0.45 0.04 -1.59 -0.69 0.00 0.00 174.62 172.14 1wap s LYS 31 N 1.43 0.68 0.02 4.92 -2.85 -1.26 -4.92 119.74 117.76 1wap s LYS 31 Ca 0.04 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.58 1wap s LYS 31 Cb -0.18 0.25 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 1wap s LYS 31 CO -0.14 -0.16 1.50 -0.06 0.10 0.00 0.00 175.35 176.59 1wap s PHE 32 N -3.86 2.67 -0.03 1.78 0.08 -1.26 -0.76 117.98 116.60 1wap s PHE 32 Ca 0.06 0.61 0.17 0.00 0.12 0.00 0.00 56.93 57.89 1wap s PHE 32 Cb 0.07 -3.78 -0.26 0.00 -0.57 0.00 0.00 43.02 38.47 1wap s PHE 32 CO -0.10 -3.02 0.37 -2.39 -0.10 0.00 0.00 175.22 169.97 1wap n HIS 33 N 5.50 0.00 -3.63 0.36 1.44 -0.34 -4.92 115.22 113.63 1wap n HIS 33 Ca 0.14 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.72 1wap n HIS 33 Cb 0.42 -0.39 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 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 -3.16 -0.80 -0.24 -1.40 5.65 -1.23 -5.01 115.29 109.10 1wap s HIS 34 Ca -0.06 1.90 0.01 0.00 0.25 0.00 0.00 55.06 57.15 1wap s HIS 34 Cb 0.11 0.32 0.04 0.00 -1.18 0.00 0.00 32.58 31.86 1wap s HIS 34 CO 0.70 -0.39 -0.11 0.45 -0.65 0.00 0.00 174.74 174.75 1wap s SER 35 N 0.52 4.09 -0.29 9.88 0.15 -1.26 -0.80 113.70 125.98 1wap s SER 35 Ca -0.01 -1.03 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 1wap s SER 35 Cb -0.05 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1wap s SER 35 CO -0.02 -0.13 0.31 -0.70 1.20 0.00 0.00 173.24 173.91 1wap s GLU 36 N 1.23 3.87 -0.04 5.44 2.56 0.22 -4.89 118.70 127.08 1wap s GLU 36 Ca -0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 54.97 54.47 1wap s GLU 36 Cb -0.17 -3.70 -0.03 0.00 2.00 0.00 0.00 34.13 32.24 1wap s GLU 36 CO -0.07 -0.31 0.93 0.21 -0.56 0.00 0.00 175.26 175.46 1wap s LYS 37 N 1.96 4.49 -0.14 4.30 2.20 -1.26 -0.49 119.74 130.80 1wap s LYS 37 Ca 0.12 1.30 -0.01 0.00 -0.36 0.00 0.00 55.97 57.02 1wap s LYS 37 Cb -0.16 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1wap s LYS 37 CO 0.11 -0.11 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.37 1wap s LEU 38 N 1.27 2.83 0.48 5.43 1.43 0.20 -4.99 118.68 125.33 1wap s LEU 38 Ca 0.48 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1wap s LEU 38 Cb -0.20 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1wap s LEU 38 CO 0.23 0.15 0.70 -1.81 0.23 0.00 0.00 176.35 175.85 1wap s ASP 39 N 0.47 5.65 -0.08 2.29 1.01 -1.26 -1.96 116.67 122.80 1wap s ASP 39 Ca -0.08 0.16 -0.37 0.00 0.71 0.00 0.00 52.55 52.97 1wap s ASP 39 Cb -0.15 -1.29 -0.15 0.00 1.01 0.00 0.00 42.92 42.33 1wap s ASP 39 CO 0.04 -0.84 1.65 1.17 0.21 0.00 0.00 175.17 177.40 1wap n LYS 40 N -2.15 1.51 0.00 8.23 4.81 -1.24 -1.92 118.16 127.40 1wap n LYS 40 Ca 0.04 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1wap n LYS 40 Cb 0.58 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 3.70 3.34 3.81 3.14 0.00 0.15 -4.98 105.19 114.35 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 -0.71 3.32 -0.00 1.61 2.02 -0.81 -4.78 118.70 119.34 1wap s GLU 42 Ca 0.00 1.12 0.04 0.00 0.02 0.00 0.00 54.97 56.15 1wap s GLU 42 Cb 0.00 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 1wap s GLU 42 CO 0.00 -0.80 -0.14 0.08 0.02 0.00 0.00 175.26 174.42 1wap s VAL 43 N -2.60 1.10 -0.02 2.63 1.01 -1.26 -1.38 120.40 119.88 1wap s VAL 43 Ca 0.62 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1wap s VAL 43 Cb -0.15 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1wap s VAL 43 CO 0.40 0.26 -0.18 -0.51 0.00 0.00 0.00 175.10 175.07 1wap s ILE 44 N -0.41 1.45 -0.29 2.22 2.07 0.37 -5.00 121.20 121.60 1wap s ILE 44 Ca 0.05 -0.76 -0.03 0.00 -1.41 0.00 0.00 60.65 58.49 1wap s ILE 44 Cb -0.06 -1.22 0.04 0.00 0.13 0.00 0.00 42.46 41.35 1wap s ILE 44 CO -0.00 0.41 0.01 -0.63 -1.91 0.00 0.00 174.94 172.82 1wap s ILE 45 N -0.28 3.25 -0.09 2.00 1.09 -1.26 -1.09 121.20 124.82 1wap s ILE 45 Ca 0.03 -1.14 0.04 0.00 -1.10 0.00 0.00 60.65 58.48 1wap s ILE 45 Cb -0.09 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.54 1wap s ILE 45 CO 0.00 -0.01 -0.21 0.00 -0.10 0.00 0.00 174.94 174.62 1wap s ALA 46 N 1.34 1.96 0.55 9.38 0.00 -0.30 -4.94 121.76 129.74 1wap s ALA 46 Ca -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1wap s ALA 46 Cb -0.18 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1wap s ALA 46 CO -0.01 0.27 0.84 -0.65 0.00 0.00 0.00 175.76 176.21 1wap s GLN 47 N 0.34 3.08 0.22 0.00 -0.21 -1.26 -0.39 119.66 121.43 1wap s GLN 47 Ca -0.16 -0.03 -0.19 0.00 0.02 0.00 0.00 55.36 55.00 1wap s GLN 47 Cb -0.17 -2.34 -0.08 0.00 1.00 0.00 0.00 33.01 31.42 1wap s GLN 47 CO 0.07 -0.53 0.72 -0.06 -2.12 0.00 0.00 175.29 173.37 1wap s PHE 48 N -2.87 3.65 0.33 0.91 0.08 -0.47 -4.95 117.98 114.65 1wap s PHE 48 Ca 0.52 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.94 1wap s PHE 48 Cb -0.10 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1wap s PHE 48 CO 0.44 0.34 0.42 0.25 -0.10 0.00 0.00 175.22 176.57 1wap n THR 49 N 0.74 0.00 -0.18 0.64 -2.24 -0.55 -4.65 114.28 108.03 1wap n THR 49 Ca -0.02 -1.80 0.12 0.00 -2.27 0.00 0.00 64.05 60.08 1wap n THR 49 Cb 0.51 1.05 0.44 0.00 -2.10 0.00 0.00 70.33 70.23 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 0.54 0.00 -0.78 3.07 -2.02 -2.80 114.58 112.58 1wap h GLU 50 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1wap h GLU 50 Cb 1.12 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1wap h GLU 50 CO 0.34 0.36 -1.61 0.72 -1.40 0.00 0.00 179.01 177.42 1wap n HIS 51 N -4.50 0.15 -3.99 4.33 8.25 -1.26 -4.65 115.22 113.54 1wap n HIS 51 Ca 0.14 0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 1wap n HIS 51 Cb 0.43 -0.47 -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 -3.38 1.73 -0.56 1.59 2.01 -1.06 -1.71 115.64 114.27 1wap s THR 52 Ca -0.03 -1.24 0.04 0.00 0.31 0.00 0.00 61.69 60.77 1wap s THR 52 Cb 0.14 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.80 1wap s THR 52 CO 0.88 0.03 0.65 -1.54 -0.69 0.00 0.00 174.62 173.94 1wap n SER 53 N 4.62 1.40 -3.66 3.53 3.41 -1.02 -1.48 113.62 120.41 1wap n SER 53 Ca -0.14 -1.20 -0.15 0.00 -0.26 0.00 0.00 58.87 57.12 1wap n SER 53 Cb 0.45 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.39 -1.26 -0.06 7.33 0.00 -1.25 -5.02 121.76 121.11 1wap s ALA 54 Ca 0.05 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1wap s ALA 54 Cb 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1wap s ALA 54 CO 0.06 -0.29 -0.13 0.42 0.00 0.00 0.00 175.76 175.81 1wap s ILE 55 N -0.85 1.21 -0.07 0.00 1.01 -1.26 -1.25 121.20 119.99 1wap s ILE 55 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1wap s ILE 55 Cb -0.03 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1wap s ILE 55 CO 0.05 0.37 -0.07 -0.75 0.00 0.00 0.00 174.94 174.54 1wap s LYS 56 N 0.54 2.81 -0.14 2.79 2.20 -0.07 -4.97 119.74 122.91 1wap s LYS 56 Ca -0.13 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1wap s LYS 56 Cb -0.15 -2.61 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 1wap s LYS 56 CO 0.04 0.63 -0.21 0.08 -0.36 0.00 0.00 175.35 175.53 1wap s VAL 57 N -0.72 2.15 -0.04 4.02 1.01 -1.26 -0.82 120.40 124.75 1wap s VAL 57 Ca 0.11 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1wap s VAL 57 Cb -0.11 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1wap s VAL 57 CO 0.02 0.55 -0.20 -0.13 0.00 0.00 0.00 175.10 175.33 1wap s ARG 58 N 0.79 1.90 0.00 2.72 0.52 -0.54 -4.96 118.95 119.39 1wap s ARG 58 Ca -0.07 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1wap s ARG 58 Cb -0.16 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1wap s ARG 58 CO -0.01 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.06 1wap n GLY 59 N 2.89 1.17 3.60 -3.53 0.00 -1.26 -1.38 105.19 106.68 1wap n GLY 59 Ca -0.17 -2.18 -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 -1.37 3.81 0.10 1.61 2.56 -1.26 -3.29 118.70 120.86 1wap s GLU 60 Ca 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 54.97 55.35 1wap s GLU 60 Cb 0.00 -3.82 0.04 0.00 2.00 0.00 0.00 34.13 32.34 1wap s GLU 60 CO 0.00 -1.02 0.42 0.00 -0.56 0.00 0.00 175.26 174.10 1wap s ALA 61 N 3.61 -1.00 -0.13 6.30 0.00 -0.89 -0.83 121.76 128.81 1wap s ALA 61 Ca 0.39 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.41 1wap s ALA 61 Cb -0.11 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1wap s ALA 61 CO 0.21 -0.59 0.05 -1.17 0.00 0.00 0.00 175.76 174.26 1wap s LEU 62 N -2.55 3.83 -0.09 0.00 2.96 -0.14 -1.22 118.68 121.47 1wap s LEU 62 Ca 0.00 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1wap s LEU 62 Cb 0.01 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1wap s LEU 62 CO -0.09 0.29 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.37 1wap s ILE 63 N -0.35 2.02 -0.07 6.68 1.01 -0.31 -0.94 121.20 129.23 1wap s ILE 63 Ca 0.09 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.78 1wap s ILE 63 Cb -0.12 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1wap s ILE 63 CO 0.02 0.55 -0.22 -1.10 0.00 0.00 0.00 174.94 174.19 1wap s GLN 64 N 0.30 2.71 0.25 2.79 -0.21 0.01 -1.64 119.66 123.87 1wap s GLN 64 Ca -0.17 -0.85 0.05 0.00 0.02 0.00 0.00 55.36 54.41 1wap s GLN 64 Cb -0.17 -2.27 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1wap s GLN 64 CO 0.08 0.37 0.18 0.25 -2.12 0.00 0.00 175.29 174.05 1wap n THR 65 N 3.01 0.00 0.13 -0.19 -2.24 0.23 -1.55 114.28 113.67 1wap n THR 65 Ca -0.18 -1.72 0.12 0.00 -2.27 0.00 0.00 64.05 60.00 1wap n THR 65 Cb 0.52 0.81 0.64 0.00 -2.10 0.00 0.00 70.33 70.20 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 1.70 2.16 -0.05 6.98 0.00 -2.01 -2.83 119.26 125.21 1wap h ALA 66 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wap h ALA 66 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wap h ALA 66 CO 0.27 -0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.96 1wap n TYR 67 N -4.48 0.05 0.00 0.00 4.01 -1.26 -5.04 117.16 110.44 1wap n TYR 67 Ca 0.03 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wap n TYR 67 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.20 0.66 3.60 2.72 0.00 -1.07 -5.09 105.19 107.20 1wap n GLY 68 Ca 0.18 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.68 2.17 -0.12 1.61 2.02 -1.26 -0.60 118.70 121.83 1wap s GLU 69 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 54.97 53.75 1wap s GLU 69 Cb 0.00 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1wap s GLU 69 CO 0.00 0.47 0.32 1.41 0.02 0.00 0.00 175.26 177.48 1wap s MET 70 N -2.60 0.37 -0.16 1.61 -2.45 -0.65 -4.99 119.30 110.42 1wap s MET 70 Ca 0.24 0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 55.12 1wap s MET 70 Cb -0.10 0.16 -0.02 0.00 1.25 0.00 0.00 34.83 36.12 1wap s MET 70 CO 0.15 -0.05 -0.05 0.21 1.05 0.00 0.00 175.02 176.33 1wap s LYS 71 N 0.27 3.57 0.36 4.11 2.20 -1.26 -1.16 119.74 127.82 1wap s LYS 71 Ca -0.01 -0.57 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 1wap s LYS 71 Cb -0.03 -2.89 -0.06 0.00 -1.51 0.00 0.00 37.83 33.34 1wap s LYS 71 CO -0.00 0.15 0.71 -1.54 -0.36 0.00 0.00 175.35 174.30 1wap s SER 72 N 0.58 6.54 -0.01 1.43 1.04 -0.36 -4.95 113.70 117.97 1wap s SER 72 Ca -0.04 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.48 1wap s SER 72 Cb -0.15 -2.28 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 1wap s SER 72 CO 0.03 -0.31 -0.14 -1.61 0.98 0.00 0.00 173.24 172.18 1wap s GLU 73 N -3.63 1.14 0.00 4.02 2.02 -1.21 -2.09 118.70 118.95 1wap s GLU 73 Ca 0.50 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1wap s GLU 73 Cb -0.10 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 33.02 1wap s GLU 73 CO 0.29 0.30 0.00 1.17 0.02 0.00 0.00 175.26 177.04