#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 6.43 -1.09 1.61 0.15 -1.26 -5.00 113.70 114.54 1wfk s SER 2 Ca 0.00 0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 1wfk s SER 2 Cb 0.00 -2.31 0.21 0.00 -1.71 0.00 0.00 66.02 62.22 1wfk s SER 2 CO 0.00 -0.47 1.19 -0.94 1.20 0.00 0.00 173.24 174.22 1wfk s SER 3 N 1.69 7.07 -0.84 5.45 1.04 -1.26 -4.72 113.70 122.13 1wfk s SER 3 Ca 0.23 -3.07 -0.01 0.00 0.48 0.00 0.00 55.95 53.58 1wfk s SER 3 Cb -0.15 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1wfk s SER 3 CO 0.12 -0.59 0.61 0.61 0.98 0.00 0.00 173.24 174.97 1wfk n GLY 4 N 3.73 -1.30 3.63 7.32 0.00 -1.26 -4.87 105.19 112.45 1wfk n GLY 4 Ca 0.27 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 1wfk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfk s SER 5 N -3.01 6.78 -0.05 1.61 0.01 -1.26 -5.04 113.70 112.73 1wfk s SER 5 Ca 0.02 0.93 -0.02 0.00 1.31 0.00 0.00 55.95 58.19 1wfk s SER 5 Cb -0.01 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1wfk s SER 5 CO 0.89 -0.55 0.05 -0.44 0.41 0.00 0.00 173.24 173.60 1wfk s SER 6 N 1.43 5.51 0.00 2.44 0.01 -1.26 -4.76 113.70 117.07 1wfk s SER 6 Ca 0.34 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wfk s SER 6 Cb -0.15 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1wfk s SER 6 CO 0.09 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1wfk n GLY 7 N 1.72 -0.02 2.89 3.44 0.00 -1.26 -5.06 105.19 106.91 1wfk n GLY 7 Ca -0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1wfk n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wfk s MET 8 N -2.83 1.79 0.30 1.61 0.00 -1.26 -5.09 119.30 113.81 1wfk s MET 8 Ca 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 55.69 53.27 1wfk s MET 8 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 34.83 31.79 1wfk s MET 8 CO 0.00 -1.12 0.22 0.39 0.00 0.00 0.00 175.02 174.52 1wfk n GLU 9 N 3.26 1.05 -1.55 3.16 1.02 -1.26 -5.03 120.64 121.28 1wfk n GLU 9 Ca 0.06 -1.88 -0.45 0.00 -0.02 0.00 0.00 57.16 54.87 1wfk n GLU 9 Cb 0.33 0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wfk n SER 10 N -1.91 2.90 -3.64 1.62 3.41 -1.26 -4.94 113.62 109.79 1wfk n SER 10 Ca -0.01 0.24 -0.16 0.00 -0.26 0.00 0.00 58.87 58.67 1wfk n SER 10 Cb 0.34 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 62.81 1wfk n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wfk n ARG 11 N 8.62 1.08 -3.45 4.33 1.74 -1.26 -2.50 116.66 125.22 1wfk n ARG 11 Ca 0.34 -2.06 -0.35 0.00 -0.77 0.00 0.00 57.85 55.01 1wfk n ARG 11 Cb 0.39 0.31 -0.06 0.00 -1.02 0.00 0.00 32.46 32.08 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 0.71 1.70 0.00 0.00 4.19 0.91 -2.10 117.16 122.57 1wfk n TYR 13 Ca -0.05 -1.08 0.00 0.00 3.31 0.00 0.00 57.90 60.07 1wfk n TYR 13 Cb 0.52 -0.59 0.00 0.00 0.49 0.00 0.00 39.34 39.76 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 -0.26 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.73 1wfk n GLY 14 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.83 -0.19 -1.86 0.00 0.00 -0.89 -4.96 120.51 111.78 1wfk n ALA 16 Ca 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1wfk n ALA 16 Cb 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.35 4.38 -0.24 0.00 0.11 -1.26 -4.53 120.40 116.51 1wfk s VAL 17 Ca 0.00 1.52 -0.23 0.00 -2.93 0.00 0.00 61.98 60.34 1wfk s VAL 17 Cb 0.00 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1wfk s VAL 17 CO 0.00 -0.15 0.73 -0.75 -3.33 0.00 0.00 175.10 171.61 1wfk s LYS 18 N -2.78 4.16 -0.19 1.54 2.20 -1.26 0.08 119.74 123.48 1wfk s LYS 18 Ca 0.57 0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 56.65 1wfk s LYS 18 Cb -0.12 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1wfk s LYS 18 CO 0.17 -0.45 1.90 -0.06 -0.36 0.00 0.00 175.35 176.55 1wfk s PHE 19 N 2.63 1.60 0.29 4.03 0.08 -1.04 -4.75 117.98 120.82 1wfk s PHE 19 Ca 0.31 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.75 1wfk s PHE 19 Cb -0.15 -4.04 -0.04 0.00 -0.57 0.00 0.00 43.02 38.21 1wfk s PHE 19 CO 0.08 -3.79 0.13 0.95 -0.10 0.00 0.00 175.22 172.49 1wfk s THR 20 N 6.34 0.44 0.28 0.64 -4.23 0.33 -4.93 115.64 114.52 1wfk s THR 20 Ca 0.85 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1wfk s THR 20 Cb -0.30 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.32 1wfk s THR 20 CO 0.34 0.00 1.35 0.18 -0.54 0.00 0.00 174.62 175.95 1wfk n LEU 21 N -0.55 0.02 0.06 4.79 7.99 -1.26 0.17 117.00 128.22 1wfk n LEU 21 Ca 0.00 1.45 -0.19 0.00 -0.01 0.00 0.00 56.01 57.26 1wfk n LEU 21 Cb 0.65 -0.58 -0.10 0.00 -0.11 0.00 0.00 43.42 43.29 1wfk n LEU 21 CO 0.36 -1.51 0.06 -0.26 -1.51 0.00 0.00 177.39 174.53 1wfk h PHE 22 N 0.00 0.91 -3.39 -1.77 -1.00 -1.96 -3.40 116.94 106.33 1wfk h PHE 22 Ca 0.58 -0.52 -0.73 0.00 2.81 0.00 0.00 57.97 60.12 1wfk h PHE 22 Cb 1.33 -0.09 -0.30 0.00 3.61 0.00 0.00 35.95 40.49 1wfk h PHE 22 CO -0.31 1.36 -0.35 0.21 -1.61 0.00 0.00 178.31 177.61 1wfk s LYS 23 N -3.20 2.57 0.90 1.51 2.47 0.45 -5.08 119.74 119.36 1wfk s LYS 23 Ca -0.08 -1.94 -0.11 0.00 -1.56 0.00 0.00 55.97 52.27 1wfk s LYS 23 Cb 0.07 -3.93 0.13 0.00 -1.46 0.00 0.00 37.83 32.64 1wfk s LYS 23 CO 0.91 -1.20 1.09 0.15 0.16 0.00 0.00 175.35 176.47 1wfk s LYS 24 N 1.04 1.19 -0.14 4.03 -0.14 -1.19 0.12 119.74 124.65 1wfk s LYS 24 Ca 0.09 0.91 -0.05 0.00 -1.36 0.00 0.00 55.97 55.56 1wfk s LYS 24 Cb -0.24 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1wfk s LYS 24 CO -0.02 -2.32 0.02 -2.00 -0.76 0.00 0.00 175.35 170.28 1wfk s GLU 25 N -4.88 3.57 0.27 1.68 2.12 -1.26 -3.92 118.70 116.29 1wfk s GLU 25 Ca 0.64 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.67 1wfk s GLU 25 Cb -0.19 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 1wfk s GLU 25 CO 0.57 0.43 -0.13 0.71 -0.54 0.00 0.00 175.26 176.30 1wfk s TYR 26 N -0.10 2.08 0.05 5.30 1.51 0.23 -4.94 117.35 121.48 1wfk s TYR 26 Ca 0.05 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1wfk s TYR 26 Cb -0.12 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1wfk s TYR 26 CO 0.02 0.49 -0.17 0.20 -1.11 0.00 0.00 175.55 174.98 1wfk s GLY 27 N -3.47 0.96 0.47 0.71 0.00 -1.26 -0.40 107.32 104.34 1wfk s GLY 27 Ca 0.29 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1wfk s GLY 27 CO 0.12 -0.95 0.68 0.00 0.00 0.00 0.00 173.10 172.96 1wfk n LYS 29 N -2.11 0.35 0.00 0.00 4.76 -1.26 -4.00 118.16 115.90 1wfk n LYS 29 Ca 0.04 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.58 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 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 -3.02 0.00 0.01 4.39 5.15 -1.26 -4.12 115.26 116.41 1wfk n ASN 30 Ca -0.26 0.59 -0.07 0.00 -0.60 0.00 0.00 54.58 54.24 1wfk n ASN 30 Cb 0.76 -0.28 0.11 0.00 -0.53 0.00 0.00 39.78 39.84 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 0.02 0.61 3.58 0.00 0.00 -1.26 -5.06 105.19 103.08 1wfk n GLY 32 Ca -0.02 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.71 1.92 0.00 1.61 0.52 -1.26 -4.83 118.95 112.20 1wfk s ARG 33 Ca 0.03 -1.89 -0.25 0.00 -0.52 0.00 0.00 55.73 53.10 1wfk s ARG 33 Cb -0.02 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 1wfk s ARG 33 CO 0.07 0.12 0.78 0.00 0.02 0.00 0.00 175.30 176.30 1wfk s ALA 34 N -2.59 3.32 0.05 2.13 0.00 -1.26 -1.38 121.76 122.03 1wfk s ALA 34 Ca 0.34 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1wfk s ALA 34 Cb 0.02 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1wfk s ALA 34 CO 0.18 -0.04 -0.03 -0.06 0.00 0.00 0.00 175.76 175.81 1wfk s PHE 35 N 0.38 0.55 0.12 0.00 0.08 0.47 -0.06 117.98 119.52 1wfk s PHE 35 Ca 0.40 -1.02 -0.08 0.00 0.12 0.00 0.00 56.93 56.35 1wfk s PHE 35 Cb -0.20 -0.39 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 1wfk s PHE 35 CO 0.22 -0.34 0.40 0.00 -0.10 0.00 0.00 175.22 175.40 1wfk n ASN 37 N 0.50 0.21 -0.15 0.00 6.94 -1.25 0.22 115.26 121.74 1wfk n ASN 37 Ca -0.05 1.33 -0.06 0.00 -0.02 0.00 0.00 54.58 55.78 1wfk n ASN 37 Cb 0.52 -0.65 0.12 0.00 -2.36 0.00 0.00 39.78 37.41 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1wfk h GLY 38 N 0.00 0.96 0.22 4.83 0.00 -1.92 -3.28 103.07 103.87 1wfk h GLY 38 Ca 0.82 -0.65 -0.27 0.00 0.00 0.00 0.00 47.33 47.23 1wfk h GLY 38 CO -0.47 0.60 -1.45 0.00 0.00 0.00 0.00 176.54 175.22 1wfk n LEU 40 N -4.14 8.65 -1.40 0.00 7.94 0.18 -3.06 117.00 125.18 1wfk n LEU 40 Ca -0.31 -4.34 -0.10 0.00 -1.11 0.00 0.00 56.01 50.16 1wfk n LEU 40 Cb 0.80 -1.55 0.10 0.00 0.53 0.00 0.00 43.42 43.30 1wfk n LEU 40 CO 0.28 2.07 0.25 -1.54 -1.11 0.00 0.00 177.39 177.34 1wfk n SER 41 N 3.51 3.37 -4.17 1.96 3.41 -1.24 -4.74 113.62 115.73 1wfk n SER 41 Ca 0.77 -3.76 -0.11 0.00 -0.26 0.00 0.00 58.87 55.51 1wfk n SER 41 Cb 0.25 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.38 0.93 -0.01 7.33 0.40 -1.14 -5.03 117.98 117.07 1wfk s PHE 42 Ca 0.44 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 1wfk s PHE 42 Cb 0.39 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.39 1wfk s PHE 42 CO -0.01 -0.11 -0.06 -1.12 0.70 0.00 0.00 175.22 174.62 1wfk s SER 43 N -2.94 0.72 -0.08 1.36 0.01 -1.26 0.93 113.70 112.44 1wfk s SER 43 Ca 0.11 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 1wfk s SER 43 Cb 0.04 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 66.20 1wfk s SER 43 CO -0.04 0.05 0.67 0.00 0.41 0.00 0.00 173.24 174.33 1wfk s ALA 44 N 0.04 -1.72 -0.07 1.44 0.00 -0.76 -4.89 121.76 115.80 1wfk s ALA 44 Ca -0.00 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 53.00 1wfk s ALA 44 Cb -0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 23.12 22.77 1wfk s ALA 44 CO -0.00 -0.36 1.85 1.28 0.00 0.00 0.00 175.76 178.53 1wfk n LEU 45 N 1.22 3.39 -4.45 0.00 4.77 -1.26 -2.61 117.00 118.07 1wfk n LEU 45 Ca -0.18 0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 56.43 1wfk n LEU 45 Cb 0.57 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.16 1wfk n LEU 45 CO 0.21 -0.09 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.19 1wfk s VAL 46 N 3.74 4.17 -0.22 4.08 1.01 -0.74 -4.77 120.40 127.68 1wfk s VAL 46 Ca 0.91 -0.23 0.28 0.00 0.00 0.00 0.00 61.98 62.95 1wfk s VAL 46 Cb -0.70 -2.93 0.31 0.00 0.00 0.00 0.00 36.38 33.06 1wfk s VAL 46 CO 0.51 0.38 1.84 1.55 0.00 0.00 0.00 175.10 179.37 1wfk h PRO 47 N 7.92 0.00 0.01 2.72 0.13 -1.92 0.75 132.00 141.60 1wfk h PRO 47 Ca -0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1wfk h PRO 47 Cb 1.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wfk h PRO 47 CO 0.60 0.00 -0.96 0.00 -0.23 0.00 0.00 178.00 177.41 1wfk h ARG 48 N 0.00 0.64 0.02 0.86 3.08 -1.92 -3.30 114.38 113.75 1wfk h ARG 48 Ca 0.00 -0.70 -0.23 0.00 0.07 0.00 0.00 59.98 59.12 1wfk h ARG 48 Cb 0.41 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1wfk h ARG 48 CO 0.00 1.29 -1.16 0.00 -1.07 0.00 0.00 179.97 179.03 1wfk h ALA 49 N 0.37 0.37 0.00 0.04 0.00 -1.83 -3.47 119.26 114.74 1wfk h ALA 49 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1wfk h ALA 49 Cb 1.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wfk h ALA 49 CO 0.19 1.26 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1wfk n GLY 50 N 1.42 0.40 3.46 0.00 0.00 -0.77 -4.87 105.19 104.84 1wfk n GLY 50 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.48 -4.22 1.61 5.03 0.25 -4.96 115.26 110.49 1wfk n ASN 51 Ca 0.00 -0.68 -0.30 0.00 0.87 0.00 0.00 54.58 54.47 1wfk n ASN 51 Cb 0.00 -4.91 -0.16 0.00 -1.02 0.00 0.00 39.78 33.69 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1wfk s THR 52 N -3.42 1.89 -1.08 3.41 -4.23 -1.19 -4.71 115.64 106.31 1wfk s THR 52 Ca 0.06 -0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 59.36 1wfk s THR 52 Cb -0.01 -1.61 -0.18 0.00 1.34 0.00 0.00 72.50 72.04 1wfk s THR 52 CO 0.75 0.53 2.09 -1.58 -0.54 0.00 0.00 174.62 175.86 1wfk s GLN 53 N 0.00 1.61 0.22 3.99 0.74 -1.26 -1.80 119.66 123.17 1wfk s GLN 53 Ca -0.07 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.82 1wfk s GLN 53 Cb -0.14 -5.04 -0.04 0.00 1.10 0.00 0.00 33.01 28.90 1wfk s GLN 53 CO 0.04 -4.94 0.38 -0.65 -0.55 0.00 0.00 175.29 169.58 1wfk s GLN 54 N 7.91 3.47 -0.32 1.67 -1.52 -1.07 -4.64 119.66 125.16 1wfk s GLN 54 Ca 0.79 -0.52 -0.28 0.00 -1.95 0.00 0.00 55.36 53.39 1wfk s GLN 54 Cb -0.05 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 29.85 1wfk s GLN 54 CO 0.15 0.40 1.97 0.15 -0.25 0.00 0.00 175.29 177.71 1wfk s LYS 55 N -3.64 3.16 0.35 2.91 -0.14 -1.26 -1.83 119.74 119.29 1wfk s LYS 55 Ca 0.36 1.57 0.09 0.00 -1.36 0.00 0.00 55.97 56.63 1wfk s LYS 55 Cb -0.10 -4.29 -0.06 0.00 -1.68 0.00 0.00 37.83 31.71 1wfk s LYS 55 CO 0.30 -2.06 0.03 0.14 -0.76 0.00 0.00 175.35 173.00 1wfk s VAL 56 N 7.76 2.54 0.57 3.17 -7.23 0.26 -4.15 120.40 123.32 1wfk s VAL 56 Ca 0.87 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.94 1wfk s VAL 56 Cb -0.25 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 1wfk s VAL 56 CO 0.33 -0.16 1.02 0.00 -0.31 0.00 0.00 175.10 175.98 1wfk n LYS 58 N -1.95 -0.15 0.00 0.00 3.00 -1.17 -0.44 118.16 117.44 1wfk n LYS 58 Ca 0.07 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 1wfk n LYS 58 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.10 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 -3.73 0.00 -0.33 1.64 7.27 -1.26 -1.12 117.38 119.85 1wfk n GLN 59 Ca 0.01 0.79 -0.01 0.00 0.07 0.00 0.00 57.00 57.86 1wfk n GLN 59 Cb 0.09 -1.28 0.05 0.00 2.41 0.00 0.00 30.24 31.50 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 -0.04 0.41 0.13 0.00 -0.00 0.68 0.34 115.15 116.66 1wfk h HIS 61 Ca 0.34 0.01 -0.30 0.00 -0.00 0.00 0.00 60.37 60.42 1wfk h HIS 61 Cb 0.60 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1wfk h HIS 61 CO -0.79 -0.00 -1.56 1.15 -0.00 0.00 0.00 177.93 176.73 1wfk h THR 62 N 0.21 0.95 -0.91 6.26 2.02 0.28 -3.23 112.91 118.50 1wfk h THR 62 Ca 0.63 -2.41 0.03 0.00 0.77 0.00 0.00 66.41 65.43 1wfk h THR 62 Cb 1.96 2.68 -0.05 0.00 -1.74 0.00 0.00 68.15 71.00 1wfk h THR 62 CO -0.22 0.75 0.59 0.40 0.37 0.00 0.00 175.52 177.41 1wfk h ILE 63 N -0.20 1.16 0.00 3.11 2.04 0.16 1.70 117.51 125.48 1wfk h ILE 63 Ca -0.33 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1wfk h ILE 63 Cb 1.85 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1wfk h ILE 63 CO 0.08 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 1wfk h LEU 64 N 1.15 0.00 0.00 1.44 3.38 -0.58 -1.91 115.31 118.79 1wfk h LEU 64 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1wfk h LEU 64 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wfk h LEU 64 CO -0.11 0.00 -1.32 0.35 0.09 0.00 0.00 178.44 177.45 1wfk n THR 65 N -2.62 0.00 0.00 0.22 -2.24 -0.20 -4.53 114.28 104.91 1wfk n THR 65 Ca 0.03 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 1wfk n THR 65 Cb 0.33 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.24 0.00 -0.78 0.11 0.26 -3.48 114.38 110.73 1wfk h ARG 66 Ca 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1wfk h ARG 66 Cb 0.58 0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1wfk h ARG 66 CO 0.00 1.20 0.00 0.41 0.10 0.00 0.00 179.97 181.68 1wfk n GLY 67 N 1.80 -0.28 3.56 0.08 0.00 -0.73 -5.07 105.19 104.55 1wfk n GLY 67 Ca -0.28 0.76 -0.19 0.00 0.00 0.00 0.00 46.02 46.31 1wfk n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfk s SER 68 N 0.00 4.06 0.92 1.61 0.15 -1.25 -4.82 113.70 114.37 1wfk s SER 68 Ca 0.00 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.78 1wfk s SER 68 Cb 0.00 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.91 1wfk s SER 68 CO 0.00 -3.61 1.12 -0.44 1.20 0.00 0.00 173.24 171.51 1wfk s SER 69 N 11.05 3.42 1.05 5.45 0.01 -1.26 -5.06 113.70 128.36 1wfk s SER 69 Ca 0.93 1.08 -0.17 0.00 1.31 0.00 0.00 55.95 59.09 1wfk s SER 69 Cb -0.14 -1.70 0.24 0.00 0.21 0.00 0.00 66.02 64.63 1wfk s SER 69 CO 0.12 -2.62 1.27 -0.62 0.41 0.00 0.00 173.24 171.80 1wfk s ASP 70 N -3.85 2.33 0.37 2.44 2.15 -1.26 -5.10 116.67 113.73 1wfk s ASP 70 Ca 0.64 0.32 -0.11 0.00 0.43 0.00 0.00 52.55 53.83 1wfk s ASP 70 Cb -0.16 -0.37 0.03 0.00 -0.30 0.00 0.00 42.92 42.13 1wfk s ASP 70 CO 0.55 -3.23 0.67 0.20 -0.17 0.00 0.00 175.17 173.19 1wfk s ASN 71 N -4.64 0.35 1.04 -0.34 0.01 -1.26 -5.16 114.94 104.94 1wfk s ASN 71 Ca 0.74 -1.27 -0.24 0.00 -0.71 0.00 0.00 52.86 51.38 1wfk s ASN 71 Cb -0.05 0.78 -0.09 0.00 0.41 0.00 0.00 41.25 42.30 1wfk s ASN 71 CO 0.54 -1.53 -0.98 0.00 -1.51 0.00 0.00 177.10 173.62 1wfk n ALA 72 N -0.54 -5.22 -1.24 0.60 0.00 -1.26 -4.55 120.51 108.30 1wfk n ALA 72 Ca -0.05 -1.32 -0.48 0.00 0.00 0.00 0.00 53.44 51.59 1wfk n ALA 72 Cb 0.60 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1wfk n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wfk n SER 73 N 1.71 0.75 -4.68 0.00 3.41 -1.26 -4.72 113.62 108.83 1wfk n SER 73 Ca -0.01 0.86 -0.44 0.00 -0.26 0.00 0.00 58.87 59.01 1wfk n SER 73 Cb 0.70 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1wfk n SER 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wfk n LYS 74 N 2.64 2.57 -1.63 4.33 0.00 -1.26 -4.87 118.16 119.94 1wfk n LYS 74 Ca 0.21 0.94 -0.48 0.00 0.00 0.00 0.00 58.31 58.98 1wfk n LYS 74 Cb -0.03 -2.81 -0.05 0.00 0.00 0.00 0.00 35.03 32.14 1wfk n LYS 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1wfk n TRP 75 N 5.92 1.90 -3.52 5.64 -0.00 -1.26 -4.97 117.44 121.16 1wfk n TRP 75 Ca 0.19 0.46 -0.29 0.00 -0.00 0.00 0.00 57.50 57.87 1wfk n TRP 75 Cb 0.35 -2.43 -0.03 0.00 -0.00 0.00 0.00 31.31 29.19 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 0.60 6.44 0.91 5.87 1.04 -1.26 -5.09 113.70 122.20 1wfk s SER 76 Ca 0.79 0.59 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 1wfk s SER 76 Cb -0.79 -2.09 0.13 0.00 0.10 0.00 0.00 66.02 63.38 1wfk s SER 76 CO 0.44 -0.10 1.09 -2.16 0.98 0.00 0.00 173.24 173.49 1wfk s PRO 77 N -3.33 1.17 0.85 4.02 0.04 -1.26 -5.05 135.00 131.44 1wfk s PRO 77 Ca 0.42 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 1wfk s PRO 77 Cb -0.11 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.84 1wfk s PRO 77 CO 0.29 -2.29 0.75 -0.35 0.04 0.00 0.00 177.00 175.43 1wfk n PRO 78 N -3.92 -2.50 -0.81 0.56 -0.04 -1.26 -4.89 135.00 122.16 1wfk n PRO 78 Ca 0.07 -1.21 -0.11 0.00 -0.04 0.00 0.00 63.50 62.21 1wfk n PRO 78 Cb 0.55 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1wfk n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wfk n GLN 79 N -3.81 1.58 -2.41 0.54 3.00 -1.26 -4.11 117.38 110.90 1wfk n GLN 79 Ca 0.10 -1.02 -0.13 0.00 -0.01 0.00 0.00 57.00 55.95 1wfk n GLN 79 Cb 0.41 -1.46 0.03 0.00 0.00 0.00 0.00 30.24 29.22 1wfk n GLN 79 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1wfk n ASN 80 N 0.97 3.34 -4.18 1.08 5.15 -1.26 -5.07 115.26 115.30 1wfk n ASN 80 Ca 0.22 -2.94 -0.11 0.00 -0.60 0.00 0.00 54.58 51.14 1wfk n ASN 80 Cb 0.57 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.31 1wfk n ASN 80 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1wfk s TYR 81 N -3.69 0.96 -0.44 1.20 6.14 -1.26 -5.08 117.35 115.19 1wfk s TYR 81 Ca 0.40 -1.04 -0.39 0.00 0.64 0.00 0.00 57.07 56.67 1wfk s TYR 81 Cb 0.37 -0.56 -0.17 0.00 0.42 0.00 0.00 41.96 42.02 1wfk s TYR 81 CO 0.00 -0.28 1.69 1.17 0.64 0.00 0.00 175.55 178.77 1wfk n LYS 82 N -0.11 0.00 -3.64 4.97 3.00 -1.26 -4.89 118.16 116.23 1wfk n LYS 82 Ca -0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.07 1wfk n LYS 82 Cb 0.62 -1.31 -0.07 0.00 0.00 0.00 0.00 35.03 34.28 1wfk n LYS 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1wfk s SER 83 N 4.24 -0.40 1.10 3.14 1.04 -1.26 -5.16 113.70 116.40 1wfk s SER 83 Ca 1.00 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 57.59 1wfk s SER 83 Cb -1.31 0.43 0.22 0.00 0.10 0.00 0.00 66.02 65.47 1wfk s SER 83 CO 0.63 -0.58 0.89 0.61 0.98 0.00 0.00 173.24 175.77 1wfk n GLY 84 N 0.89 -1.71 3.57 7.32 0.00 -1.26 -4.81 105.19 109.18 1wfk n GLY 84 Ca -0.20 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.30 2.53 0.77 1.61 0.04 -1.26 -4.95 135.00 129.45 1wfk s PRO 85 Ca 0.66 -0.59 -0.07 0.00 0.04 0.00 0.00 61.00 61.04 1wfk s PRO 85 Cb -0.23 -5.13 0.11 0.00 0.04 0.00 0.00 34.50 29.30 1wfk s PRO 85 CO 0.64 -3.59 1.08 0.45 0.04 0.00 0.00 177.00 175.62 1wfk s SER 86 N 7.50 4.27 0.18 6.66 0.15 -1.26 -5.04 113.70 126.16 1wfk s SER 86 Ca 0.70 0.18 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 1wfk s SER 86 Cb -0.05 -0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 63.58 1wfk s SER 86 CO 0.04 -1.95 1.04 -0.55 1.20 0.00 0.00 173.24 173.02 1wfk s SER 87 N -4.67 7.39 0.00 5.45 0.15 -1.26 -5.27 113.70 115.49 1wfk s SER 87 Ca 0.65 2.01 0.00 0.00 0.70 0.00 0.00 55.95 59.31 1wfk s SER 87 Cb -0.07 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wfk s SER 87 CO 0.47 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.40