#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfl s SER 2 N 0.00 -0.49 -0.29 1.61 0.01 -1.26 -5.17 113.70 108.11 1wfl s SER 2 Ca 0.00 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.56 1wfl s SER 2 Cb 0.00 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.79 1wfl s SER 2 CO 0.00 -0.51 0.94 -0.55 0.41 0.00 0.00 173.24 173.53 1wfl s SER 3 N -1.37 -0.58 1.04 2.44 0.15 -1.26 -5.18 113.70 108.95 1wfl s SER 3 Ca -0.04 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.38 1wfl s SER 3 Cb -0.00 1.31 0.19 0.00 -1.71 0.00 0.00 66.02 65.80 1wfl s SER 3 CO 0.03 -0.14 0.97 0.61 1.20 0.00 0.00 173.24 175.91 1wfl n GLY 4 N 3.97 -1.72 3.64 9.45 0.00 -1.26 -5.11 105.19 114.16 1wfl n GLY 4 Ca -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 1wfl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfl s SER 5 N -4.47 -0.47 -0.29 1.61 0.01 -1.26 -5.14 113.70 103.69 1wfl s SER 5 Ca 0.56 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1wfl s SER 5 Cb -0.02 1.18 0.09 0.00 0.21 0.00 0.00 66.02 67.47 1wfl s SER 5 CO 0.40 -0.12 0.06 -0.44 0.41 0.00 0.00 173.24 173.56 1wfl s SER 6 N 1.28 4.03 1.51 2.44 0.01 -1.26 -5.05 113.70 116.66 1wfl s SER 6 Ca -0.08 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.58 1wfl s SER 6 Cb -0.04 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.18 1wfl s SER 6 CO -0.14 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wfl n GLY 7 N 4.74 2.62 3.65 3.44 0.00 -1.26 -4.48 105.19 113.90 1wfl n GLY 7 Ca -0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1wfl n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfl s PRO 8 N 0.00 -0.18 0.01 1.61 0.04 -1.26 -5.20 135.00 130.02 1wfl s PRO 8 Ca 0.00 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 1wfl s PRO 8 Cb 0.00 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.92 1wfl s PRO 8 CO 0.00 -3.09 0.60 -1.12 0.04 0.00 0.00 177.00 173.42 1wfl s SER 9 N -3.60 -0.55 -0.30 6.66 0.01 -1.26 -5.16 113.70 109.50 1wfl s SER 9 Ca 0.67 0.41 -0.08 0.00 1.31 0.00 0.00 55.95 58.27 1wfl s SER 9 Cb -0.16 0.52 0.17 0.00 0.21 0.00 0.00 66.02 66.77 1wfl s SER 9 CO 0.57 -0.69 0.81 -0.44 0.41 0.00 0.00 173.24 173.90 1wfl s SER 10 N -1.66 -0.95 -0.30 2.44 0.01 -1.26 -5.15 113.70 106.84 1wfl s SER 10 Ca -0.08 0.78 -0.16 0.00 1.31 0.00 0.00 55.95 57.80 1wfl s SER 10 Cb -0.01 1.87 0.17 0.00 0.21 0.00 0.00 66.02 68.26 1wfl s SER 10 CO 0.03 -0.18 1.07 -0.55 0.41 0.00 0.00 173.24 174.02 1wfl s SER 11 N 2.82 -0.42 -0.30 2.44 0.15 -1.26 -5.15 113.70 111.98 1wfl s SER 11 Ca 0.07 0.59 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 1wfl s SER 11 Cb -0.12 1.43 0.18 0.00 -1.71 0.00 0.00 66.02 65.79 1wfl s SER 11 CO -0.17 -0.08 1.03 0.00 1.20 0.00 0.00 173.24 175.22 1wfl s GLN 12 N 2.12 0.22 -0.16 5.44 -2.07 -1.26 -5.18 119.66 118.78 1wfl s GLN 12 Ca -0.03 0.47 -0.32 0.00 -1.82 0.00 0.00 55.36 53.66 1wfl s GLN 12 Cb -0.04 0.27 0.14 0.00 -1.09 0.00 0.00 33.01 32.29 1wfl s GLN 12 CO -0.16 -0.17 1.12 -1.12 -1.32 0.00 0.00 175.29 173.63 1wfl s SER 13 N 2.69 -0.22 -0.30 12.60 0.01 -1.26 -5.16 113.70 122.06 1wfl s SER 13 Ca -0.00 0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1wfl s SER 13 Cb -0.08 0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.54 1wfl s SER 13 CO -0.14 -0.30 1.01 -0.70 0.41 0.00 0.00 173.24 173.51 1wfl s GLU 14 N -1.98 0.23 -0.19 12.44 2.12 -1.26 -5.17 118.70 124.90 1wfl s GLU 14 Ca 0.06 0.46 -0.18 0.00 0.36 0.00 0.00 54.97 55.66 1wfl s GLU 14 Cb -0.01 0.26 0.05 0.00 0.26 0.00 0.00 34.13 34.69 1wfl s GLU 14 CO -0.04 -0.22 0.52 -1.21 -0.54 0.00 0.00 175.26 173.77 1wfl s GLU 15 N 2.81 0.61 -0.00 4.30 2.02 -1.26 -5.17 118.70 122.01 1wfl s GLU 15 Ca 0.01 0.69 -0.23 0.00 0.02 0.00 0.00 54.97 55.46 1wfl s GLU 15 Cb -0.10 0.30 0.05 0.00 0.10 0.00 0.00 34.13 34.48 1wfl s GLU 15 CO -0.13 -0.08 0.50 -1.59 0.02 0.00 0.00 175.26 173.98 1wfl s LYS 16 N 0.22 0.93 -0.20 1.61 0.00 -1.26 -5.18 119.74 115.86 1wfl s LYS 16 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 55.97 55.63 1wfl s LYS 16 Cb -0.04 0.43 0.07 0.00 0.00 0.00 0.00 37.83 38.29 1wfl s LYS 16 CO 0.01 -0.30 0.67 0.00 0.00 0.00 0.00 175.35 175.73 1wfl s ALA 17 N -1.75 -1.69 0.82 0.59 0.00 -1.26 -5.17 121.76 113.30 1wfl s ALA 17 Ca -0.09 1.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 1wfl s ALA 17 Cb -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 22.39 1wfl s ALA 17 CO 0.04 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.30 1wfl s PRO 18 N -0.08 1.86 0.01 0.00 0.04 -1.26 -4.99 135.00 130.58 1wfl s PRO 18 Ca -0.03 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1wfl s PRO 18 Cb -0.04 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1wfl s PRO 18 CO 0.03 -1.88 1.02 -1.83 0.04 0.00 0.00 177.00 174.38 1wfl s GLU 19 N -4.92 4.54 0.22 4.56 -1.05 -1.26 -5.04 118.70 115.76 1wfl s GLU 19 Ca 0.62 1.49 -0.08 0.00 -0.15 0.00 0.00 54.97 56.84 1wfl s GLU 19 Cb -0.17 -3.44 -0.07 0.00 -0.44 0.00 0.00 34.13 30.01 1wfl s GLU 19 CO 0.56 -0.08 0.52 -0.48 0.95 0.00 0.00 175.26 176.74 1wfl s LEU 20 N 0.99 4.17 -0.28 1.83 0.05 -1.26 -5.03 118.68 119.16 1wfl s LEU 20 Ca 0.53 0.85 -0.29 0.00 0.05 0.00 0.00 54.13 55.28 1wfl s LEU 20 Cb -0.23 -3.62 -0.02 0.00 -2.05 0.00 0.00 46.19 40.28 1wfl s LEU 20 CO 0.28 -0.07 1.65 -2.16 -0.55 0.00 0.00 176.35 175.51 1wfl s PRO 21 N -2.86 3.63 0.28 1.48 0.04 -1.26 -4.93 135.00 131.37 1wfl s PRO 21 Ca 0.46 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 1wfl s PRO 21 Cb -0.11 -4.08 -0.12 0.00 0.04 0.00 0.00 34.50 30.22 1wfl s PRO 21 CO 0.22 -1.50 0.12 1.63 0.04 0.00 0.00 177.00 177.51 1wfl n LYS 22 N 7.95 0.00 0.00 4.56 4.01 -1.26 -4.72 118.16 128.70 1wfl n LYS 22 Ca 0.20 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 58.03 1wfl n LYS 22 Cb 0.46 -0.75 0.22 0.00 -0.51 0.00 0.00 35.03 34.44 1wfl n LYS 22 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1wfl n PRO 23 N 0.97 0.49 -3.64 1.97 -0.04 -1.26 -3.99 135.00 129.49 1wfl n PRO 23 Ca 0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 1wfl n PRO 23 Cb 0.28 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1wfl n PRO 23 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wfl n LYS 24 N -0.74 2.35 0.13 0.54 4.01 -1.26 -4.95 118.16 118.24 1wfl n LYS 24 Ca 0.06 -4.56 -0.14 0.00 -0.51 0.00 0.00 58.31 53.15 1wfl n LYS 24 Cb 0.03 -2.31 -0.08 0.00 -0.51 0.00 0.00 35.03 32.15 1wfl n LYS 24 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1wfl h LYS 25 N 5.03 -0.67 -0.97 1.97 3.64 -1.94 -3.34 116.57 120.30 1wfl h LYS 25 Ca 0.17 0.05 -0.39 0.00 -1.27 0.00 0.00 60.65 59.21 1wfl h LYS 25 Cb 0.72 0.15 -0.41 0.00 -0.41 0.00 0.00 32.23 32.29 1wfl h LYS 25 CO 0.81 -0.44 -1.07 0.27 -2.27 0.00 0.00 179.45 176.75 1wfl n ASN 26 N -5.01 2.32 -4.02 4.20 6.94 -1.26 -5.02 115.26 113.41 1wfl n ASN 26 Ca -0.08 -2.84 -0.16 0.00 -0.02 0.00 0.00 54.58 51.49 1wfl n ASN 26 Cb 0.36 -0.49 -0.13 0.00 -2.36 0.00 0.00 39.78 37.15 1wfl n ASN 26 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfl s ARG 27 N -3.37 0.55 0.60 -3.83 0.52 -1.25 -1.47 118.95 110.70 1wfl s ARG 27 Ca 0.33 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.90 1wfl s ARG 27 Cb 0.42 -0.46 -0.07 0.00 0.52 0.00 0.00 34.95 35.36 1wfl s ARG 27 CO -0.02 0.11 0.60 0.00 0.02 0.00 0.00 175.30 176.02 1wfl n PHE 29 N -1.81 0.18 -0.03 0.00 -0.00 0.36 -2.54 117.46 113.61 1wfl n PHE 29 Ca 0.12 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.45 57.42 1wfl n PHE 29 Cb 0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.93 1wfl n PHE 29 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 1wfl n MET 30 N 1.36 0.16 -0.01 -4.13 1.56 -1.26 -4.79 117.12 110.02 1wfl n MET 30 Ca 0.15 0.05 0.06 0.00 -0.27 0.00 0.00 57.70 57.69 1wfl n MET 30 Cb 0.59 -1.00 -0.09 0.00 2.15 0.00 0.00 33.22 34.86 1wfl n MET 30 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wfl n ARG 32 N -1.91 -2.66 -4.40 0.00 5.12 -1.05 -4.97 116.66 106.78 1wfl n ARG 32 Ca -0.02 0.50 -0.29 0.00 -1.93 0.00 0.00 57.85 56.11 1wfl n ARG 32 Cb 0.32 -4.27 -0.12 0.00 -1.16 0.00 0.00 32.46 27.22 1wfl n ARG 32 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1wfl s LYS 33 N -4.33 1.70 -0.33 5.56 2.20 -1.26 -4.72 119.74 118.56 1wfl s LYS 33 Ca 0.13 -1.21 -0.28 0.00 -0.36 0.00 0.00 55.97 54.26 1wfl s LYS 33 Cb -0.02 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1wfl s LYS 33 CO 0.43 0.48 2.15 0.21 -0.36 0.00 0.00 175.35 178.26 1wfl s LYS 34 N -1.99 2.91 -0.20 4.03 2.47 -1.26 -0.41 119.74 125.29 1wfl s LYS 34 Ca 0.16 1.66 -0.10 0.00 -1.56 0.00 0.00 55.97 56.13 1wfl s LYS 34 Cb -0.10 -4.38 -0.20 0.00 -1.46 0.00 0.00 37.83 31.69 1wfl s LYS 34 CO 0.08 -2.36 0.05 1.33 0.16 0.00 0.00 175.35 174.62 1wfl n VAL 35 N 7.70 1.61 0.00 4.02 0.24 -0.54 -4.95 118.33 126.41 1wfl n VAL 35 Ca 0.29 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1wfl n VAL 35 Cb 0.48 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1wfl n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfl n GLY 36 N 1.77 1.16 0.11 7.63 0.00 -1.13 -2.24 105.19 112.48 1wfl n GLY 36 Ca -0.40 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1wfl n GLY 36 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wfl n LEU 37 N 0.00 1.53 0.00 0.99 -0.00 -1.26 -4.04 117.00 114.22 1wfl n LEU 37 Ca 0.00 0.15 0.06 0.00 -0.00 0.00 0.00 56.01 56.22 1wfl n LEU 37 Cb 0.00 -0.29 0.37 0.00 -0.00 0.00 0.00 43.42 43.49 1wfl n LEU 37 CO 0.00 0.64 0.59 0.35 -0.00 0.00 0.00 177.39 178.98 1wfl n THR 38 N -3.13 0.05 -0.77 1.96 -2.24 -0.95 -4.82 114.28 104.37 1wfl n THR 38 Ca -0.30 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 1wfl n THR 38 Cb 1.06 -0.82 0.13 0.00 -2.10 0.00 0.00 70.33 68.61 1wfl n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfl n GLY 39 N -0.22 -2.62 2.81 3.38 0.00 -1.25 -4.34 105.19 102.95 1wfl n GLY 39 Ca 0.09 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 1wfl n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wfl s PHE 40 N -2.23 -0.11 -0.35 1.61 2.19 0.36 -4.78 117.98 114.66 1wfl s PHE 40 Ca 0.52 0.49 -0.18 0.00 0.33 0.00 0.00 56.93 58.10 1wfl s PHE 40 Cb -0.12 -0.29 -0.00 0.00 -1.31 0.00 0.00 43.02 41.31 1wfl s PHE 40 CO 0.68 -0.23 0.49 0.16 1.83 0.00 0.00 175.22 178.15 1wfl s ASP 41 N 2.07 6.29 0.63 6.13 1.47 -1.26 0.43 116.67 132.43 1wfl s ASP 41 Ca 0.01 -0.10 -0.06 0.00 1.18 0.00 0.00 52.55 53.58 1wfl s ASP 41 Cb -0.12 -2.26 0.03 0.00 -0.34 0.00 0.00 42.92 40.23 1wfl s ASP 41 CO -0.05 -0.47 0.95 0.00 0.68 0.00 0.00 175.17 176.27 1wfl h ARG 43 N -0.34 0.42 0.00 0.00 2.47 -1.94 -1.87 114.38 113.12 1wfl h ARG 43 Ca -0.45 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 1wfl h ARG 43 Cb 1.27 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1wfl h ARG 43 CO 0.61 0.58 0.00 0.00 0.56 0.00 0.00 179.97 181.72 1wfl n GLY 45 N -0.57 0.73 3.35 0.00 0.00 -0.70 -5.01 105.19 102.99 1wfl n GLY 45 Ca 0.04 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1wfl n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wfl s ASN 46 N -2.85 1.72 -0.09 1.61 0.01 -1.25 -4.95 114.94 109.14 1wfl s ASN 46 Ca 0.00 -1.31 0.02 0.00 -0.71 0.00 0.00 52.86 50.86 1wfl s ASN 46 Cb 0.00 0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.68 1wfl s ASN 46 CO 0.00 -0.61 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.63 1wfl s LEU 47 N -3.34 2.75 0.07 0.60 2.96 -1.26 -0.78 118.68 119.68 1wfl s LEU 47 Ca 0.33 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1wfl s LEU 47 Cb 0.07 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1wfl s LEU 47 CO 0.12 0.26 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.98 1wfl s PHE 48 N -0.24 0.79 -0.82 5.38 0.40 0.17 0.13 117.98 123.79 1wfl s PHE 48 Ca 0.01 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1wfl s PHE 48 Cb -0.13 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1wfl s PHE 48 CO 0.03 -0.13 0.59 0.00 0.70 0.00 0.00 175.22 176.41 1wfl n GLY 50 N 0.09 1.90 0.21 0.00 0.00 -1.26 -4.68 105.19 101.45 1wfl n GLY 50 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1wfl n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wfl h LEU 51 N 0.00 0.00 0.00 0.99 4.07 -1.95 -3.17 115.31 115.26 1wfl h LEU 51 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wfl h LEU 51 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1wfl h LEU 51 CO 0.00 0.00 -0.52 1.41 -1.08 0.00 0.00 178.44 178.25 1wfl n HIS 52 N -2.78 0.00 -0.40 1.13 8.25 -1.26 -4.65 115.22 115.50 1wfl n HIS 52 Ca 0.02 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.86 1wfl n HIS 52 Cb 0.35 -0.03 0.58 0.00 1.12 0.00 0.00 29.99 32.01 1wfl n HIS 52 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wfl n ARG 53 N -1.27 0.01 -1.41 -0.41 1.85 -1.20 -3.85 116.66 110.38 1wfl n ARG 53 Ca 0.00 1.04 -0.35 0.00 -1.00 0.00 0.00 57.85 57.53 1wfl n ARG 53 Cb 0.07 -2.50 0.10 0.00 -1.05 0.00 0.00 32.46 29.07 1wfl n ARG 53 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1wfl n TYR 54 N -3.48 1.38 0.08 2.89 4.01 -1.26 -4.93 117.16 115.84 1wfl n TYR 54 Ca 0.31 0.41 -0.12 0.00 -0.16 0.00 0.00 57.90 58.35 1wfl n TYR 54 Cb 1.71 -2.16 -0.05 0.00 -0.31 0.00 0.00 39.34 38.53 1wfl n TYR 54 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1wfl h SER 55 N -0.19 0.39 -0.31 7.72 4.64 -1.96 -3.10 113.55 120.74 1wfl h SER 55 Ca -0.48 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1wfl h SER 55 Cb 1.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wfl h SER 55 CO 0.49 1.15 0.00 0.47 -0.87 0.00 0.00 176.83 178.07 1wfl n ASP 56 N -3.67 2.67 -0.09 4.97 8.00 -1.26 -1.06 116.55 126.12 1wfl n ASP 56 Ca -0.05 -2.25 -0.18 0.00 0.71 0.00 0.00 54.79 53.01 1wfl n ASP 56 Cb 0.85 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 1wfl n ASP 56 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wfl n LYS 57 N 0.41 0.37 -0.56 -1.24 4.76 -1.17 -4.66 118.16 116.08 1wfl n LYS 57 Ca 0.13 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.81 1wfl n LYS 57 Cb 0.53 -1.13 0.30 0.00 -1.84 0.00 0.00 35.03 32.89 1wfl n LYS 57 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wfl n HIS 58 N -3.81 1.25 -3.65 2.13 1.44 -1.21 -4.95 115.22 106.42 1wfl n HIS 58 Ca -0.34 -0.79 -0.21 0.00 -2.01 0.00 0.00 57.72 54.37 1wfl n HIS 58 Cb 0.73 -0.34 0.05 0.00 0.12 0.00 0.00 29.99 30.55 1wfl n HIS 58 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wfl n ASN 59 N -0.01 -2.15 -4.68 4.39 3.02 -1.08 -4.81 115.26 109.95 1wfl n ASN 59 Ca 0.23 -0.75 -0.56 0.00 -0.03 0.00 0.00 54.58 53.47 1wfl n ASN 59 Cb 0.94 -4.37 -0.07 0.00 -0.61 0.00 0.00 39.78 35.67 1wfl n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfl h PRO 61 N 7.92 0.34 -6.25 0.00 0.13 -1.90 -3.46 132.00 128.78 1wfl h PRO 61 Ca -0.44 -0.18 -0.48 0.00 -0.87 0.00 0.00 66.00 64.03 1wfl h PRO 61 Cb 1.32 0.01 0.25 0.00 0.13 0.00 0.00 31.00 32.70 1wfl h PRO 61 CO 0.97 0.73 -2.06 0.98 -0.23 0.00 0.00 178.00 178.39 1wfl n TYR 62 N -4.00 -1.64 -0.71 1.56 9.36 -1.26 -4.95 117.16 115.53 1wfl n TYR 62 Ca -0.02 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1wfl n TYR 62 Cb 0.52 -1.46 0.00 0.00 -0.63 0.00 0.00 39.34 37.77 1wfl n TYR 62 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1wfl n ASP 63 N 1.63 0.49 -0.34 2.98 2.03 -1.26 -4.85 116.55 117.22 1wfl n ASP 63 Ca -0.01 -1.21 0.28 0.00 0.52 0.00 0.00 54.79 54.37 1wfl n ASP 63 Cb 0.69 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.55 1wfl n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfl n TYR 64 N -0.10 0.36 0.08 -0.67 4.11 -1.26 0.14 117.16 119.81 1wfl n TYR 64 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 57.90 58.14 1wfl n TYR 64 Cb 0.36 -0.74 -0.05 0.00 -0.00 0.00 0.00 39.34 38.91 1wfl n TYR 64 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.86 178.43 1wfl h LYS 65 N 0.00 -0.40 -0.22 -3.48 2.10 -2.01 -2.83 116.57 109.73 1wfl h LYS 65 Ca 0.58 0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 59.05 1wfl h LYS 65 Cb 1.97 0.09 0.01 0.00 -0.90 0.00 0.00 32.23 33.40 1wfl h LYS 65 CO -0.24 -0.27 -0.67 0.00 -2.00 0.00 0.00 179.45 176.28 1wfl h ALA 66 N 0.38 0.37 -0.16 0.07 0.00 0.87 -3.42 119.26 117.36 1wfl h ALA 66 Ca 0.05 -0.56 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 1wfl h ALA 66 Cb 0.49 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1wfl h ALA 66 CO -0.20 0.67 1.56 -1.91 0.00 0.00 0.00 179.25 179.37 1wfl n GLU 67 N -3.98 0.17 -4.19 0.00 0.00 -0.74 -4.82 120.64 107.09 1wfl n GLU 67 Ca -0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 57.16 56.81 1wfl n GLU 67 Cb 0.69 -1.78 -0.10 0.00 0.00 0.00 0.00 31.44 30.25 1wfl n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wfl s ALA 68 N 5.26 1.07 -0.36 4.31 0.00 -1.26 -4.93 121.76 125.85 1wfl s ALA 68 Ca 1.23 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1wfl s ALA 68 Cb -0.74 1.13 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1wfl s ALA 68 CO 0.44 -0.53 0.19 0.45 0.00 0.00 0.00 175.76 176.31 1wfl s SER 69 N -3.12 5.69 0.00 0.00 0.15 -1.26 -4.66 113.70 110.50 1wfl s SER 69 Ca 0.32 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1wfl s SER 69 Cb 0.07 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1wfl s SER 69 CO 0.08 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wfl n GLY 70 N 4.99 2.22 3.59 9.45 0.00 -1.26 -5.05 105.19 119.12 1wfl n GLY 70 Ca -0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1wfl n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfl s PRO 71 N 0.00 3.27 0.16 1.61 0.04 -1.26 -4.96 135.00 133.87 1wfl s PRO 71 Ca 0.00 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 61.92 1wfl s PRO 71 Cb 0.00 -4.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.24 1wfl s PRO 71 CO 0.00 -1.94 1.62 0.45 0.04 0.00 0.00 177.00 177.17 1wfl s SER 72 N 5.97 6.54 -0.20 6.66 0.15 -1.26 -4.78 113.70 126.77 1wfl s SER 72 Ca 0.74 2.66 -0.10 0.00 0.70 0.00 0.00 55.95 59.95 1wfl s SER 72 Cb -0.19 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.60 1wfl s SER 72 CO 0.31 -0.87 0.48 -0.44 1.20 0.00 0.00 173.24 173.92 1wfl s SER 73 N 1.31 -0.57 0.00 5.45 0.01 -1.26 -5.17 113.70 113.47 1wfl s SER 73 Ca 0.72 1.07 0.07 0.00 1.31 0.00 0.00 55.95 59.11 1wfl s SER 73 Cb -0.45 1.10 0.40 0.00 0.21 0.00 0.00 66.02 67.28 1wfl s SER 73 CO 0.32 -0.21 0.86 0.61 0.41 0.00 0.00 173.24 175.22