#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk s SER 2 N 0.00 -0.17 -0.03 1.61 0.15 -1.26 -5.18 113.70 108.81 1wfk s SER 2 Ca 0.00 0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.65 1wfk s SER 2 Cb 0.00 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1wfk s SER 2 CO 0.00 -0.16 0.41 -0.55 1.20 0.00 0.00 173.24 174.14 1wfk s SER 3 N -1.04 -0.33 0.00 5.45 0.15 -1.26 -5.14 113.70 111.54 1wfk s SER 3 Ca 0.04 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wfk s SER 3 Cb -0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wfk s SER 3 CO -0.04 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1wfk n GLY 4 N 1.28 3.34 3.57 9.45 0.00 -1.26 -5.19 105.19 116.38 1wfk n GLY 4 Ca -0.20 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1wfk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfk s SER 5 N 0.00 0.25 0.32 1.61 1.04 -1.26 -5.17 113.70 110.49 1wfk s SER 5 Ca 0.00 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 1wfk s SER 5 Cb 0.00 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.68 1wfk s SER 5 CO 0.00 -1.24 0.67 -0.44 0.98 0.00 0.00 173.24 173.21 1wfk s SER 6 N -3.10 6.59 -0.41 7.02 0.01 -1.26 -4.96 113.70 117.59 1wfk s SER 6 Ca 0.25 1.03 -0.44 0.00 1.31 0.00 0.00 55.95 58.10 1wfk s SER 6 Cb -0.01 -2.28 -0.18 0.00 0.21 0.00 0.00 66.02 63.77 1wfk s SER 6 CO 0.13 -0.24 1.68 0.61 0.41 0.00 0.00 173.24 175.83 1wfk n GLY 7 N -0.74 0.47 1.71 3.44 0.00 -1.26 -4.78 105.19 104.04 1wfk n GLY 7 Ca 0.01 0.98 -0.07 0.00 0.00 0.00 0.00 46.02 46.94 1wfk n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wfk n MET 8 N 4.70 1.40 -0.15 1.61 -0.00 -1.26 -4.92 117.12 118.50 1wfk n MET 8 Ca 0.30 -0.66 -0.17 0.00 -0.00 0.00 0.00 57.70 57.16 1wfk n MET 8 Cb 0.02 -1.34 0.16 0.00 -0.00 0.00 0.00 33.22 32.07 1wfk n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1wfk n GLU 9 N 1.25 -3.57 -1.65 3.17 1.02 -1.26 -4.78 120.64 114.82 1wfk n GLU 9 Ca 0.15 -0.83 -0.42 0.00 -0.02 0.00 0.00 57.16 56.05 1wfk n GLU 9 Cb 0.57 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wfk s SER 10 N -2.64 5.34 0.26 1.62 1.04 -1.26 -4.94 113.70 113.12 1wfk s SER 10 Ca 0.38 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.49 1wfk s SER 10 Cb -0.06 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1wfk s SER 10 CO 0.31 -2.08 0.05 0.54 0.98 0.00 0.00 173.24 173.04 1wfk n ARG 11 N 8.78 1.31 -3.54 4.02 1.74 -1.26 -2.58 116.66 125.12 1wfk n ARG 11 Ca 0.30 -1.84 -0.35 0.00 -0.77 0.00 0.00 57.85 55.19 1wfk n ARG 11 Cb 0.47 0.43 -0.05 0.00 -1.02 0.00 0.00 32.46 32.28 1wfk n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n TYR 13 N 0.90 1.68 0.00 0.00 4.19 0.93 -2.11 117.16 122.75 1wfk n TYR 13 Ca -0.08 -1.13 0.00 0.00 3.31 0.00 0.00 57.90 60.00 1wfk n TYR 13 Cb 0.52 -0.60 0.00 0.00 0.49 0.00 0.00 39.34 39.75 1wfk n TYR 13 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wfk n GLY 14 N -0.31 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.67 1wfk n GLY 14 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1wfk n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfk n ALA 16 N -0.79 -0.16 -2.60 0.00 0.00 -0.90 -4.96 120.51 111.11 1wfk n ALA 16 Ca 0.00 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1wfk n ALA 16 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1wfk n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wfk s VAL 17 N -2.30 4.83 0.05 0.00 0.11 -1.26 -4.50 120.40 117.34 1wfk s VAL 17 Ca 0.00 1.85 -0.31 0.00 -2.93 0.00 0.00 61.98 60.60 1wfk s VAL 17 Cb 0.00 -4.22 -0.07 0.00 -1.53 0.00 0.00 36.38 30.55 1wfk s VAL 17 CO 0.00 0.24 1.51 -0.75 -3.33 0.00 0.00 175.10 172.76 1wfk s LYS 18 N 0.64 4.25 -0.21 1.54 2.20 -1.26 -1.56 119.74 125.35 1wfk s LYS 18 Ca 0.46 2.15 -0.29 0.00 -0.36 0.00 0.00 55.97 57.93 1wfk s LYS 18 Cb -0.21 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1wfk s LYS 18 CO 0.25 -0.62 1.62 -0.06 -0.36 0.00 0.00 175.35 176.19 1wfk s PHE 19 N 2.21 2.09 0.26 4.03 0.08 -1.07 -4.77 117.98 120.82 1wfk s PHE 19 Ca 0.68 0.52 0.02 0.00 0.12 0.00 0.00 56.93 58.27 1wfk s PHE 19 Cb -0.36 -3.97 -0.04 0.00 -0.57 0.00 0.00 43.02 38.07 1wfk s PHE 19 CO 0.30 -3.01 0.14 0.95 -0.10 0.00 0.00 175.22 173.50 1wfk s THR 20 N 5.15 0.26 0.16 0.64 -4.23 0.20 -4.95 115.64 112.89 1wfk s THR 20 Ca 0.72 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1wfk s THR 20 Cb -0.26 -2.54 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1wfk s THR 20 CO 0.29 0.00 1.07 0.18 -0.54 0.00 0.00 174.62 175.62 1wfk n LEU 21 N -0.46 -0.42 0.01 4.79 4.32 -1.26 0.40 117.00 124.38 1wfk n LEU 21 Ca 0.02 1.20 -0.13 0.00 -0.02 0.00 0.00 56.01 57.08 1wfk n LEU 21 Cb 0.65 -0.29 -0.09 0.00 -1.62 0.00 0.00 43.42 42.07 1wfk n LEU 21 CO 0.35 -1.09 0.64 -0.26 -1.22 0.00 0.00 177.39 175.81 1wfk h PHE 22 N 0.00 -0.05 -3.22 -1.77 -1.00 -1.97 -3.36 116.94 105.57 1wfk h PHE 22 Ca 0.25 -0.00 -0.77 0.00 2.81 0.00 0.00 57.97 60.26 1wfk h PHE 22 Cb 0.42 0.02 -0.24 0.00 3.61 0.00 0.00 35.95 39.76 1wfk h PHE 22 CO -0.60 0.37 0.57 0.21 -1.61 0.00 0.00 178.31 177.26 1wfk s LYS 23 N -4.46 3.94 1.29 1.51 2.47 0.16 -5.04 119.74 119.61 1wfk s LYS 23 Ca -0.15 -2.69 -0.18 0.00 -1.56 0.00 0.00 55.97 51.38 1wfk s LYS 23 Cb 0.02 -4.67 0.31 0.00 -1.46 0.00 0.00 37.83 32.03 1wfk s LYS 23 CO 0.65 -1.43 0.80 1.63 0.16 0.00 0.00 175.35 177.17 1wfk n LYS 24 N 4.13 -3.43 -4.61 4.03 5.02 -1.02 0.63 118.16 122.90 1wfk n LYS 24 Ca 0.23 -1.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.19 1wfk n LYS 24 Cb 0.43 -1.96 -0.13 0.00 -0.02 0.00 0.00 35.03 33.35 1wfk n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfk s GLU 25 N -4.48 3.49 0.31 1.97 2.12 -1.26 -4.03 118.70 116.82 1wfk s GLU 25 Ca 0.64 -0.61 0.11 0.00 0.36 0.00 0.00 54.97 55.47 1wfk s GLU 25 Cb -0.18 -2.75 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1wfk s GLU 25 CO 0.60 0.24 -0.14 0.71 -0.54 0.00 0.00 175.26 176.13 1wfk s TYR 26 N 0.31 2.35 0.05 5.30 1.51 0.22 -4.95 117.35 122.14 1wfk s TYR 26 Ca -0.07 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1wfk s TYR 26 Cb -0.15 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1wfk s TYR 26 CO 0.04 0.64 -0.16 0.20 -1.11 0.00 0.00 175.55 175.17 1wfk s GLY 27 N -3.56 0.90 0.47 0.71 0.00 -1.26 -0.49 107.32 104.09 1wfk s GLY 27 Ca 0.31 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1wfk s GLY 27 CO 0.16 -0.89 0.69 0.00 0.00 0.00 0.00 173.10 173.06 1wfk n LYS 29 N -2.12 0.48 0.00 0.00 4.76 -1.26 -4.00 118.16 116.02 1wfk n LYS 29 Ca 0.03 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wfk n LYS 29 Cb 0.58 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 1wfk n LYS 29 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wfk n ASN 30 N -2.87 0.00 0.01 4.39 5.15 -1.26 -4.17 115.26 116.50 1wfk n ASN 30 Ca -0.24 0.56 -0.08 0.00 -0.60 0.00 0.00 54.58 54.22 1wfk n ASN 30 Cb 0.77 -0.29 0.10 0.00 -0.53 0.00 0.00 39.78 39.83 1wfk n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfk n GLY 32 N 0.07 0.69 3.62 0.00 0.00 -1.26 -5.06 105.19 103.25 1wfk n GLY 32 Ca -0.02 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1wfk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfk s ARG 33 N -4.63 1.99 -0.10 1.61 0.52 -1.26 -4.84 118.95 112.24 1wfk s ARG 33 Ca 0.01 -1.95 -0.22 0.00 -0.52 0.00 0.00 55.73 53.05 1wfk s ARG 33 Cb -0.01 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 1wfk s ARG 33 CO 0.03 0.02 0.64 0.00 0.02 0.00 0.00 175.30 176.01 1wfk s ALA 34 N -2.63 3.41 0.09 2.13 0.00 -1.26 -1.31 121.76 122.19 1wfk s ALA 34 Ca 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1wfk s ALA 34 Cb 0.05 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1wfk s ALA 34 CO 0.19 -0.17 -0.07 -0.06 0.00 0.00 0.00 175.76 175.64 1wfk s PHE 35 N 0.99 0.87 0.17 0.00 0.08 0.36 -0.05 117.98 120.39 1wfk s PHE 35 Ca 0.33 -0.82 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1wfk s PHE 35 Cb -0.17 -0.50 -0.07 0.00 -0.57 0.00 0.00 43.02 41.71 1wfk s PHE 35 CO 0.15 -0.12 0.49 0.00 -0.10 0.00 0.00 175.22 175.63 1wfk n ASN 37 N 0.32 0.22 -0.12 0.00 0.23 -1.26 0.21 115.26 114.86 1wfk n ASN 37 Ca -0.03 1.38 -0.05 0.00 -0.53 0.00 0.00 54.58 55.35 1wfk n ASN 37 Cb 0.52 -0.68 0.14 0.00 -2.08 0.00 0.00 39.78 37.68 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wfk h GLY 38 N 0.00 0.90 0.18 4.83 0.00 -1.92 -3.29 103.07 103.76 1wfk h GLY 38 Ca 0.85 -0.61 -0.26 0.00 0.00 0.00 0.00 47.33 47.31 1wfk h GLY 38 CO -0.50 0.56 -1.40 0.00 0.00 0.00 0.00 176.54 175.21 1wfk n LEU 40 N -4.19 8.35 -1.30 0.00 7.94 0.18 -3.13 117.00 124.86 1wfk n LEU 40 Ca -0.31 -4.21 -0.09 0.00 -1.11 0.00 0.00 56.01 50.29 1wfk n LEU 40 Cb 0.77 -1.53 0.12 0.00 0.53 0.00 0.00 43.42 43.32 1wfk n LEU 40 CO 0.26 1.98 0.32 -1.54 -1.11 0.00 0.00 177.39 177.30 1wfk n SER 41 N 3.53 3.30 -4.20 1.96 3.41 -1.24 -4.75 113.62 115.64 1wfk n SER 41 Ca 0.75 -3.83 -0.12 0.00 -0.26 0.00 0.00 58.87 55.41 1wfk n SER 41 Cb 0.27 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 1wfk n SER 41 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wfk s PHE 42 N -3.41 1.04 -0.01 7.33 0.40 -1.15 -5.03 117.98 117.14 1wfk s PHE 42 Ca 0.45 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1wfk s PHE 42 Cb 0.39 -0.58 0.01 0.00 0.51 0.00 0.00 43.02 43.35 1wfk s PHE 42 CO -0.02 -0.09 -0.02 -1.12 0.70 0.00 0.00 175.22 174.67 1wfk s SER 43 N -3.10 0.36 -0.05 1.36 0.01 -1.26 0.52 113.70 111.54 1wfk s SER 43 Ca 0.15 -0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 1wfk s SER 43 Cb 0.05 -0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.25 1wfk s SER 43 CO -0.02 -0.00 0.64 0.00 0.41 0.00 0.00 173.24 174.27 1wfk s ALA 44 N 0.23 -1.67 -0.05 1.44 0.00 -0.76 -4.89 121.76 116.07 1wfk s ALA 44 Ca -0.02 1.23 -0.34 0.00 0.00 0.00 0.00 51.96 52.82 1wfk s ALA 44 Cb -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.94 1wfk s ALA 44 CO -0.01 -0.36 1.81 1.28 0.00 0.00 0.00 175.76 178.49 1wfk n LEU 45 N 0.98 3.31 -4.41 0.00 4.77 -1.26 -2.53 117.00 117.86 1wfk n LEU 45 Ca -0.19 1.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.44 1wfk n LEU 45 Cb 0.57 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.16 1wfk n LEU 45 CO 0.23 -0.13 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.14 1wfk s VAL 46 N 3.38 3.87 0.13 4.08 1.01 -0.69 -4.78 120.40 127.41 1wfk s VAL 46 Ca 0.90 -0.33 0.34 0.00 0.00 0.00 0.00 61.98 62.89 1wfk s VAL 46 Cb -0.71 -2.77 0.39 0.00 0.00 0.00 0.00 36.38 33.29 1wfk s VAL 46 CO 0.49 0.40 2.00 1.55 0.00 0.00 0.00 175.10 179.55 1wfk h PRO 47 N 7.86 0.00 -0.12 2.72 0.13 -1.92 0.68 132.00 141.36 1wfk h PRO 47 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.55 1wfk h PRO 47 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wfk h PRO 47 CO 0.60 0.01 -0.75 0.00 -0.23 0.00 0.00 178.00 177.63 1wfk h ARG 48 N 0.00 0.59 0.02 0.86 3.08 -1.92 -3.27 114.38 113.75 1wfk h ARG 48 Ca -0.00 -0.48 -0.27 0.00 0.07 0.00 0.00 59.98 59.30 1wfk h ARG 48 Cb 0.50 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1wfk h ARG 48 CO 0.00 1.11 -1.45 0.00 -1.07 0.00 0.00 179.97 178.56 1wfk h ALA 49 N 0.76 0.54 0.00 0.04 0.00 -1.81 -3.48 119.26 115.31 1wfk h ALA 49 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1wfk h ALA 49 Cb 1.35 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wfk h ALA 49 CO 0.14 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.20 1wfk n GLY 50 N 1.51 0.40 3.70 0.00 0.00 -0.65 -4.85 105.19 105.30 1wfk n GLY 50 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1wfk n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wfk n ASN 51 N 0.00 -2.05 -4.29 1.61 3.02 0.23 -4.95 115.26 108.82 1wfk n ASN 51 Ca 0.00 -0.78 -0.32 0.00 -0.03 0.00 0.00 54.58 53.45 1wfk n ASN 51 Cb 0.00 -4.20 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wfk s THR 52 N -3.56 2.24 -0.92 3.41 -4.23 -1.19 -4.70 115.64 106.70 1wfk s THR 52 Ca 0.13 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.39 1wfk s THR 52 Cb -0.06 -1.83 -0.12 0.00 1.34 0.00 0.00 72.50 71.82 1wfk s THR 52 CO 0.80 0.57 2.18 -1.58 -0.54 0.00 0.00 174.62 176.05 1wfk s GLN 53 N -0.14 1.87 0.22 3.99 0.74 -1.26 -1.70 119.66 123.37 1wfk s GLN 53 Ca -0.04 -0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.36 1wfk s GLN 53 Cb -0.14 -4.94 -0.04 0.00 1.10 0.00 0.00 33.01 28.99 1wfk s GLN 53 CO 0.04 -4.32 0.22 -0.65 -0.55 0.00 0.00 175.29 170.04 1wfk s GLN 54 N 8.05 3.07 -0.35 1.67 -1.52 -1.05 -4.70 119.66 124.84 1wfk s GLN 54 Ca 0.82 -0.91 -0.28 0.00 -1.95 0.00 0.00 55.36 53.04 1wfk s GLN 54 Cb -0.08 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 1wfk s GLN 54 CO 0.08 0.44 1.97 0.15 -0.25 0.00 0.00 175.29 177.67 1wfk s LYS 55 N -3.64 3.10 0.32 2.91 -0.14 -1.26 -1.82 119.74 119.20 1wfk s LYS 55 Ca 0.33 1.49 0.09 0.00 -1.36 0.00 0.00 55.97 56.53 1wfk s LYS 55 Cb -0.09 -4.30 -0.05 0.00 -1.68 0.00 0.00 37.83 31.71 1wfk s LYS 55 CO 0.26 -2.14 -0.01 0.14 -0.76 0.00 0.00 175.35 172.84 1wfk s VAL 56 N 7.97 2.76 0.56 3.17 -7.23 0.18 -4.12 120.40 123.68 1wfk s VAL 56 Ca 0.85 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 1wfk s VAL 56 Cb -0.24 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 1wfk s VAL 56 CO 0.32 -0.25 1.03 0.00 -0.31 0.00 0.00 175.10 175.90 1wfk n LYS 58 N -1.80 -0.13 0.00 0.00 3.00 -1.18 -0.50 118.16 117.54 1wfk n LYS 58 Ca 0.08 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1wfk n LYS 58 Cb 0.53 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1wfk n LYS 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1wfk n GLN 59 N -3.64 0.00 -0.33 1.64 7.27 -1.26 -1.00 117.38 120.05 1wfk n GLN 59 Ca 0.01 0.78 -0.04 0.00 0.07 0.00 0.00 57.00 57.82 1wfk n GLN 59 Cb 0.08 -1.27 0.01 0.00 2.41 0.00 0.00 30.24 31.47 1wfk n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfk h HIS 61 N -0.06 0.34 0.08 0.00 -0.00 0.50 0.46 115.15 116.47 1wfk h HIS 61 Ca 0.29 0.01 -0.32 0.00 -0.00 0.00 0.00 60.37 60.35 1wfk h HIS 61 Cb 0.57 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 1wfk h HIS 61 CO -0.83 -0.01 -1.73 1.15 -0.00 0.00 0.00 177.93 176.51 1wfk h THR 62 N 0.16 0.89 -0.55 6.26 2.02 0.29 -3.24 112.91 118.75 1wfk h THR 62 Ca 0.64 -2.63 -0.10 0.00 0.77 0.00 0.00 66.41 65.09 1wfk h THR 62 Cb 2.12 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 71.07 1wfk h THR 62 CO -0.19 0.73 -0.06 0.40 0.37 0.00 0.00 175.52 176.78 1wfk h ILE 63 N 0.04 1.26 0.00 3.11 2.04 0.34 0.82 117.51 125.13 1wfk h ILE 63 Ca -0.31 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1wfk h ILE 63 Cb 2.02 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1wfk h ILE 63 CO 0.11 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.86 1wfk n LEU 64 N -4.16 0.49 -0.03 1.44 4.77 0.12 -2.92 117.00 116.72 1wfk n LEU 64 Ca 0.02 0.57 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1wfk n LEU 64 Cb 0.37 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1wfk n LEU 64 CO 0.44 -0.24 -0.77 0.35 -1.33 0.00 0.00 177.39 175.84 1wfk n THR 65 N -1.99 0.29 0.02 -5.08 -2.24 -0.90 -4.26 114.28 100.12 1wfk n THR 65 Ca 0.05 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1wfk n THR 65 Cb 0.33 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 1wfk n THR 65 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfk h ARG 66 N 0.00 0.60 0.00 -0.78 0.11 0.70 -3.44 114.38 111.57 1wfk h ARG 66 Ca -0.12 -0.52 0.00 0.00 0.10 0.00 0.00 59.98 59.44 1wfk h ARG 66 Cb 1.07 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1wfk h ARG 66 CO 0.01 1.15 0.00 0.41 0.10 0.00 0.00 179.97 181.63 1wfk n GLY 67 N 0.73 0.00 3.91 0.08 0.00 -1.15 -5.09 105.19 103.68 1wfk n GLY 67 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1wfk n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfk s SER 68 N -0.91 -0.01 1.06 1.61 1.04 -1.26 -5.08 113.70 110.16 1wfk s SER 68 Ca 0.00 -0.28 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1wfk s SER 68 Cb 0.00 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1wfk s SER 68 CO 0.00 -0.42 -0.51 -0.24 0.98 0.00 0.00 173.24 173.05 1wfk n SER 69 N -0.99 -2.75 -4.09 7.02 2.88 -1.26 -4.86 113.62 109.56 1wfk n SER 69 Ca 0.00 -0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.15 1wfk n SER 69 Cb 0.59 -0.82 0.07 0.00 -0.75 0.00 0.00 64.21 63.30 1wfk n SER 69 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wfk n ASP 70 N 0.27 -3.93 -4.13 -3.46 2.03 -1.26 -4.79 116.55 101.28 1wfk n ASP 70 Ca 0.00 0.09 -0.37 0.00 0.52 0.00 0.00 54.79 55.03 1wfk n ASP 70 Cb 0.66 -0.75 0.03 0.00 -0.72 0.00 0.00 41.12 40.33 1wfk n ASP 70 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1wfk n ASN 71 N 2.13 -4.78 -3.26 1.67 6.94 -1.26 -4.57 115.26 112.13 1wfk n ASN 71 Ca -0.00 0.41 -0.44 0.00 -0.02 0.00 0.00 54.58 54.52 1wfk n ASN 71 Cb 0.64 -0.82 -0.06 0.00 -2.36 0.00 0.00 39.78 37.17 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wfk n ALA 72 N -2.06 -2.14 -0.31 -2.53 0.00 -1.26 -4.87 120.51 107.34 1wfk n ALA 72 Ca 0.03 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.61 1wfk n ALA 72 Cb 0.52 -1.29 0.25 0.00 0.00 0.00 0.00 19.45 18.93 1wfk n ALA 72 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wfk n SER 73 N 1.67 -3.85 -3.76 0.00 7.64 -1.26 -4.94 113.62 109.12 1wfk n SER 73 Ca 0.17 -0.74 -0.20 0.00 1.01 0.00 0.00 58.87 59.11 1wfk n SER 73 Cb 0.02 -0.94 0.12 0.00 -1.01 0.00 0.00 64.21 62.41 1wfk n SER 73 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wfk n LYS 74 N -4.68 -1.71 -0.98 1.43 4.81 -1.26 -4.65 118.16 111.11 1wfk n LYS 74 Ca 0.12 -0.50 -0.38 0.00 -0.87 0.00 0.00 58.31 56.68 1wfk n LYS 74 Cb 0.52 -1.41 -0.05 0.00 0.02 0.00 0.00 35.03 34.11 1wfk n LYS 74 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1wfk n TRP 75 N -4.17 0.30 -4.14 5.64 -0.00 -1.26 -4.93 117.44 108.88 1wfk n TRP 75 Ca 0.04 0.69 -0.24 0.00 -0.00 0.00 0.00 57.50 57.98 1wfk n TRP 75 Cb 0.39 -1.36 -0.06 0.00 -0.00 0.00 0.00 31.31 30.28 1wfk n TRP 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wfk s SER 76 N -0.11 5.28 1.03 5.87 1.04 -1.26 -5.12 113.70 120.42 1wfk s SER 76 Ca 0.57 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 1wfk s SER 76 Cb -0.80 -1.29 0.20 0.00 0.10 0.00 0.00 66.02 64.23 1wfk s SER 76 CO 0.37 0.03 1.09 -2.16 0.98 0.00 0.00 173.24 173.56 1wfk s PRO 77 N -3.39 0.21 0.00 4.02 0.04 -1.26 -5.06 135.00 129.56 1wfk s PRO 77 Ca 0.31 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1wfk s PRO 77 Cb -0.09 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wfk s PRO 77 CO 0.23 -2.86 0.00 -0.35 0.04 0.00 0.00 177.00 174.05 1wfk n PRO 78 N -4.26 -0.50 -0.90 0.56 -0.04 -1.26 -4.72 135.00 123.88 1wfk n PRO 78 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1wfk n PRO 78 Cb 0.58 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1wfk n PRO 78 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wfk n GLN 79 N -1.12 0.00 -3.15 0.54 -0.06 -1.26 -2.96 117.38 109.37 1wfk n GLN 79 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 1wfk n GLN 79 Cb 0.00 -0.79 0.05 0.00 -4.06 0.00 0.00 30.24 25.44 1wfk n GLN 79 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1wfk n ASN 80 N 2.29 -4.85 -4.97 1.69 3.02 -1.26 -5.03 115.26 106.14 1wfk n ASN 80 Ca 0.03 -0.33 -0.21 0.00 -0.03 0.00 0.00 54.58 54.04 1wfk n ASN 80 Cb 0.40 -3.48 0.02 0.00 -0.61 0.00 0.00 39.78 36.11 1wfk n ASN 80 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wfk s TYR 81 N -3.17 1.84 -0.61 3.10 -0.85 -1.15 -5.09 117.35 111.41 1wfk s TYR 81 Ca 0.36 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1wfk s TYR 81 Cb -0.16 -2.14 0.16 0.00 0.38 0.00 0.00 41.96 40.19 1wfk s TYR 81 CO 0.44 -0.72 0.40 0.15 -1.52 0.00 0.00 175.55 174.30 1wfk s LYS 82 N -4.44 2.40 -0.19 -3.49 1.02 -1.26 -5.03 119.74 108.75 1wfk s LYS 82 Ca 0.51 -2.68 -0.06 0.00 0.02 0.00 0.00 55.97 53.76 1wfk s LYS 82 Cb -0.05 -3.58 0.09 0.00 -0.52 0.00 0.00 37.83 33.77 1wfk s LYS 82 CO 0.32 -1.17 0.40 0.45 -0.92 0.00 0.00 175.35 174.43 1wfk s SER 83 N 0.11 -0.16 0.23 2.83 0.15 -1.26 -5.06 113.70 110.53 1wfk s SER 83 Ca 0.18 0.90 -0.31 0.00 0.70 0.00 0.00 55.95 57.42 1wfk s SER 83 Cb -0.20 1.27 -0.14 0.00 -1.71 0.00 0.00 66.02 65.24 1wfk s SER 83 CO -0.04 -0.24 1.36 0.61 1.20 0.00 0.00 173.24 176.14 1wfk n GLY 84 N 5.39 0.63 3.62 9.45 0.00 -1.26 -4.87 105.19 118.14 1wfk n GLY 84 Ca -0.08 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1wfk n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfk s PRO 85 N -0.42 3.70 0.21 1.61 0.04 -1.26 -4.99 135.00 133.88 1wfk s PRO 85 Ca 0.69 1.56 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1wfk s PRO 85 Cb -0.69 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 29.74 1wfk s PRO 85 CO 0.50 -1.42 -0.07 -1.54 0.04 0.00 0.00 177.00 174.52 1wfk s SER 86 N 4.53 2.13 0.01 6.66 1.04 -1.26 -5.07 113.70 121.74 1wfk s SER 86 Ca 0.72 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 1wfk s SER 86 Cb -0.23 -0.06 -0.22 0.00 0.10 0.00 0.00 66.02 65.61 1wfk s SER 86 CO 0.30 -0.36 1.13 0.77 0.98 0.00 0.00 173.24 176.06 1wfk h SER 87 N 2.54 0.49 0.00 7.02 4.64 -2.05 -3.54 113.55 122.65 1wfk h SER 87 Ca -0.38 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 1wfk h SER 87 Cb 1.22 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wfk h SER 87 CO 0.64 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 178.35