#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 3.40 0.04 1.61 0.01 -1.26 -5.12 113.70 112.39 1wfk s SER 2 Ca 0.00 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1wfk s SER 2 Cb 0.00 -1.20 0.07 0.00 0.21 0.00 0.00 66.02 65.10 1wfk s SER 2 CO 0.00 0.21 0.62 -0.44 0.41 0.00 0.00 173.24 174.05 1wfk s SER 3 N 0.05 -0.59 0.00 2.44 0.01 -1.26 -5.16 113.70 109.19 1wfk s SER 3 Ca -0.08 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1wfk s SER 3 Cb -0.15 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1wfk s SER 3 CO 0.05 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1wfk n GLY 4 N 0.38 2.64 3.52 3.44 0.00 -1.26 -5.18 105.19 108.73 1wfk n GLY 4 Ca -0.18 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 3.47 0.33 1.61 1.04 -1.26 -5.16 113.70 113.73 1wfk s SER 5 Ca 0.00 -1.22 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 1wfk s SER 5 Cb 0.00 -0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.86 1wfk s SER 5 CO 0.00 -0.28 0.79 -0.44 0.98 0.00 0.00 173.24 174.29 1wfk s SER 6 N -3.58 -0.09 0.00 7.02 0.01 -1.26 -5.19 113.70 110.62 1wfk s SER 6 Ca 0.32 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wfk s SER 6 Cb 0.04 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1wfk s SER 6 CO 0.16 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 172.91 1wfk n GLY 7 N -0.52 2.00 2.97 3.44 0.00 -1.26 -5.14 105.19 106.68 1wfk n GLY 7 Ca -0.07 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 3.36 0.12 0.23 1.61 0.00 -1.26 -5.16 119.30 118.20 1wfk s MET 8 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 55.69 55.87 1wfk s MET 8 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 34.83 34.83 1wfk s MET 8 CO 0.00 -0.07 0.39 0.39 0.00 0.00 0.00 175.02 175.73 1wfk n GLU 9 N 3.42 0.56 -1.54 3.16 1.02 -1.26 -5.10 120.64 120.91 1wfk n GLU 9 Ca -0.17 -1.51 -0.46 0.00 -0.02 0.00 0.00 57.16 55.01 1wfk n GLU 9 Cb 0.57 1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 33.59 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfk n SER 10 N -1.56 2.80 -4.88 1.62 7.64 -1.26 -4.94 113.62 113.04 1wfk n SER 10 Ca -0.03 0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.84 1wfk n SER 10 Cb 0.36 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.09 1wfk n SER 10 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wfk s ARG 11 N 6.38 2.26 0.28 1.43 0.52 -1.26 -2.13 118.95 126.43 1wfk s ARG 11 Ca 1.04 -2.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.08 1wfk s ARG 11 Cb -0.53 -2.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.81 1wfk s ARG 11 CO 0.40 -0.56 0.69 0.00 0.02 0.00 0.00 175.30 175.85 1wfk n TYR 13 N -0.14 1.66 0.00 0.00 4.19 0.70 -2.30 117.16 121.27 1wfk n TYR 13 Ca 0.02 -0.95 0.00 0.00 3.31 0.00 0.00 57.90 60.28 1wfk n TYR 13 Cb 0.53 -0.54 0.00 0.00 0.49 0.00 0.00 39.34 39.81 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 -0.12 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.87 1wfk n GLY 14 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.08 -0.15 -1.76 0.00 0.00 -0.97 -4.95 120.51 111.59 1wfk n ALA 16 Ca 0.00 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 1wfk n ALA 16 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.27 4.13 0.04 0.00 0.11 -1.26 -4.46 120.40 116.68 1wfk s VAL 17 Ca 0.00 1.96 -0.30 0.00 -2.93 0.00 0.00 61.98 60.71 1wfk s VAL 17 Cb 0.00 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1wfk s VAL 17 CO 0.00 0.33 1.03 -0.75 -3.33 0.00 0.00 175.10 172.38 1wfk s LYS 18 N -1.59 4.56 -0.16 1.54 2.20 -1.26 -0.55 119.74 124.47 1wfk s LYS 18 Ca 0.45 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1wfk s LYS 18 Cb -0.23 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1wfk s LYS 18 CO 0.28 -0.05 1.08 -0.06 -0.36 0.00 0.00 175.35 176.24 1wfk s PHE 19 N 0.82 3.30 0.25 4.03 0.08 -0.91 -4.81 117.98 120.74 1wfk s PHE 19 Ca 0.53 1.41 0.05 0.00 0.12 0.00 0.00 56.93 59.03 1wfk s PHE 19 Cb -0.23 -3.30 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 1wfk s PHE 19 CO 0.29 -0.68 0.23 0.25 -0.10 0.00 0.00 175.22 175.20 1wfk n THR 20 N 5.02 0.00 -0.28 0.64 -2.24 0.41 -4.94 114.28 112.89 1wfk n THR 20 Ca 0.11 -1.80 -0.07 0.00 -2.27 0.00 0.00 64.05 60.02 1wfk n THR 20 Cb 0.47 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1wfk n THR 20 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wfk n LEU 21 N 0.00 -0.71 -0.07 3.22 4.77 -1.26 -0.82 117.00 122.13 1wfk n LEU 21 Ca 0.05 1.44 -0.11 0.00 -0.03 0.00 0.00 56.01 57.36 1wfk n LEU 21 Cb 0.46 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1wfk n LEU 21 CO 0.24 -1.09 0.81 -0.26 -1.33 0.00 0.00 177.39 175.75 1wfk h PHE 22 N 0.00 0.38 -2.75 -1.77 -1.00 -1.98 -3.37 116.94 106.45 1wfk h PHE 22 Ca 0.11 -0.05 -0.69 0.00 2.81 0.00 0.00 57.97 60.15 1wfk h PHE 22 Cb 0.28 -0.11 -0.19 0.00 3.61 0.00 0.00 35.95 39.54 1wfk h PHE 22 CO -0.92 0.47 0.51 0.21 -1.61 0.00 0.00 178.31 176.97 1wfk s LYS 23 N -5.27 3.37 0.90 1.51 2.47 0.00 -5.04 119.74 117.70 1wfk s LYS 23 Ca -0.14 -1.57 -0.12 0.00 -1.56 0.00 0.00 55.97 52.59 1wfk s LYS 23 Cb 0.07 -4.57 0.13 0.00 -1.46 0.00 0.00 37.83 32.01 1wfk s LYS 23 CO 0.72 -1.66 1.11 0.15 0.16 0.00 0.00 175.35 175.83 1wfk s LYS 24 N 2.63 1.20 -0.19 4.03 -0.14 -1.17 0.16 119.74 126.26 1wfk s LYS 24 Ca 0.24 0.55 -0.08 0.00 -1.36 0.00 0.00 55.97 55.32 1wfk s LYS 24 Cb -0.12 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1wfk s LYS 24 CO -0.02 -2.21 0.07 -2.00 -0.76 0.00 0.00 175.35 170.43 1wfk s GLU 25 N -5.09 3.97 0.27 1.68 2.12 -1.26 -4.12 118.70 116.28 1wfk s GLU 25 Ca 0.63 -0.34 0.11 0.00 0.36 0.00 0.00 54.97 55.73 1wfk s GLU 25 Cb -0.16 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1wfk s GLU 25 CO 0.55 0.25 -0.09 0.71 -0.54 0.00 0.00 175.26 176.14 1wfk s TYR 26 N 0.45 2.52 0.06 5.30 1.51 0.14 -4.96 117.35 122.37 1wfk s TYR 26 Ca 0.04 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1wfk s TYR 26 Cb -0.12 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1wfk s TYR 26 CO 0.00 0.66 -0.17 0.20 -1.11 0.00 0.00 175.55 175.13 1wfk s GLY 27 N -3.59 0.98 0.45 0.71 0.00 -1.26 -0.63 107.32 103.97 1wfk s GLY 27 Ca 0.31 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1wfk s GLY 27 CO 0.18 -0.97 0.65 0.00 0.00 0.00 0.00 173.10 172.96 1wfk n LYS 29 N -2.04 0.40 0.00 0.00 4.76 -1.26 -3.90 118.16 116.13 1wfk n LYS 29 Ca 0.03 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.58 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 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 -3.06 0.00 0.05 4.39 5.15 -1.26 -4.15 115.26 116.38 1wfk n ASN 30 Ca -0.29 0.64 -0.08 0.00 -0.60 0.00 0.00 54.58 54.25 1wfk n ASN 30 Cb 0.80 -0.34 0.07 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.37 0.46 3.66 0.00 0.00 -1.25 -5.05 105.19 103.37 1wfk n GLY 32 Ca -0.03 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 2.07 -0.12 1.61 0.52 -1.26 -4.81 118.95 112.24 1wfk s ARG 33 Ca 0.05 -1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 53.11 1wfk s ARG 33 Cb -0.02 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1wfk s ARG 33 CO 0.14 -0.02 0.66 0.00 0.02 0.00 0.00 175.30 176.10 1wfk s ALA 34 N -2.63 3.44 0.13 2.13 0.00 -1.26 -1.54 121.76 122.03 1wfk s ALA 34 Ca 0.37 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1wfk s ALA 34 Cb 0.05 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1wfk s ALA 34 CO 0.20 -0.28 -0.03 -0.06 0.00 0.00 0.00 175.76 175.58 1wfk s PHE 35 N 1.24 1.04 -0.04 0.00 0.08 0.19 -0.22 117.98 120.29 1wfk s PHE 35 Ca 0.33 -0.96 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 1wfk s PHE 35 Cb -0.17 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 1wfk s PHE 35 CO 0.14 -0.18 0.31 0.00 -0.10 0.00 0.00 175.22 175.39 1wfk n ASN 37 N 1.79 0.13 -0.03 0.00 2.85 -1.26 0.24 115.26 118.98 1wfk n ASN 37 Ca -0.16 0.81 -0.12 0.00 -0.11 0.00 0.00 54.58 55.01 1wfk n ASN 37 Cb 0.53 -0.40 -0.06 0.00 1.24 0.00 0.00 39.78 41.09 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1wfk h GLY 38 N 0.00 0.22 1.40 8.20 0.00 -1.93 -3.19 103.07 107.76 1wfk h GLY 38 Ca 0.50 -0.15 -0.30 0.00 0.00 0.00 0.00 47.33 47.38 1wfk h GLY 38 CO -0.28 0.14 -1.32 0.00 0.00 0.00 0.00 176.54 175.07 1wfk n LEU 40 N -3.67 7.62 -1.12 0.00 7.94 0.94 -2.33 117.00 126.38 1wfk n LEU 40 Ca -0.13 -4.61 -0.05 0.00 -1.11 0.00 0.00 56.01 50.11 1wfk n LEU 40 Cb 1.04 -1.34 0.15 0.00 0.53 0.00 0.00 43.42 43.80 1wfk n LEU 40 CO 0.57 1.97 0.38 -1.54 -1.11 0.00 0.00 177.39 177.67 1wfk n SER 41 N 1.62 2.84 -4.25 1.96 3.41 -1.21 -4.72 113.62 113.27 1wfk n SER 41 Ca 0.59 -3.85 -0.14 0.00 -0.26 0.00 0.00 58.87 55.22 1wfk n SER 41 Cb 0.34 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.36 1.26 -0.00 7.33 0.40 -1.15 -5.04 117.98 117.43 1wfk s PHE 42 Ca 0.43 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1wfk s PHE 42 Cb 0.39 -0.66 -0.00 0.00 0.51 0.00 0.00 43.02 43.26 1wfk s PHE 42 CO -0.03 0.04 -0.04 -1.12 0.70 0.00 0.00 175.22 174.77 1wfk s SER 43 N -3.17 0.52 -0.02 1.36 0.01 -1.26 0.98 113.70 112.11 1wfk s SER 43 Ca 0.18 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.03 1wfk s SER 43 Cb 0.03 -0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.29 1wfk s SER 43 CO 0.01 0.03 0.73 0.00 0.41 0.00 0.00 173.24 174.42 1wfk s ALA 44 N -0.20 -1.77 0.07 1.44 0.00 -0.63 -4.88 121.76 115.80 1wfk s ALA 44 Ca 0.01 1.18 -0.32 0.00 0.00 0.00 0.00 51.96 52.83 1wfk s ALA 44 Cb -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 1wfk s ALA 44 CO -0.00 -0.46 1.84 1.28 0.00 0.00 0.00 175.76 178.41 1wfk n LEU 45 N 0.55 3.84 -4.38 0.00 4.77 -1.25 -2.20 117.00 118.32 1wfk n LEU 45 Ca -0.16 0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 56.45 1wfk n LEU 45 Cb 0.59 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.05 1wfk n LEU 45 CO 0.19 0.08 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.29 1wfk s VAL 46 N 3.02 3.71 -0.72 4.08 1.01 -0.43 -4.78 120.40 126.29 1wfk s VAL 46 Ca 0.85 -0.39 0.19 0.00 0.00 0.00 0.00 61.98 62.63 1wfk s VAL 46 Cb -0.54 -2.69 0.19 0.00 0.00 0.00 0.00 36.38 33.34 1wfk s VAL 46 CO 0.41 0.42 1.59 -0.81 0.00 0.00 0.00 175.10 176.70 1wfk n PRO 47 N 4.57 0.10 0.14 2.72 -0.04 -1.26 0.55 135.00 141.77 1wfk n PRO 47 Ca -0.17 0.35 -0.24 0.00 -0.04 0.00 0.00 63.50 63.39 1wfk n PRO 47 Cb 0.51 -1.70 -0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1wfk n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfk h ARG 48 N 0.00 0.52 0.06 0.54 3.08 -1.93 -3.35 114.38 113.30 1wfk h ARG 48 Ca 0.00 -0.89 -0.26 0.00 0.07 0.00 0.00 59.98 58.90 1wfk h ARG 48 Cb 0.30 0.33 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1wfk h ARG 48 CO 0.00 1.42 -1.31 0.00 -1.07 0.00 0.00 179.97 179.02 1wfk h ALA 49 N 0.16 0.35 0.00 0.04 0.00 -1.83 -3.47 119.26 114.51 1wfk h ALA 49 Ca -0.27 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1wfk h ALA 49 Cb 2.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1wfk h ALA 49 CO 0.26 1.22 0.00 0.41 0.00 0.00 0.00 179.25 181.14 1wfk n GLY 50 N 1.51 0.28 3.43 0.00 0.00 -0.78 -4.87 105.19 104.76 1wfk n GLY 50 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1wfk n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wfk n ASN 51 N 0.00 -2.88 -4.35 1.61 2.85 0.19 -4.97 115.26 107.72 1wfk n ASN 51 Ca 0.00 -0.60 -0.32 0.00 -0.11 0.00 0.00 54.58 53.56 1wfk n ASN 51 Cb 0.00 -5.05 -0.15 0.00 1.24 0.00 0.00 39.78 35.82 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfk s THR 52 N -3.35 2.38 -1.04 -0.44 -4.23 -1.21 -4.69 115.64 103.07 1wfk s THR 52 Ca 0.11 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.41 1wfk s THR 52 Cb -0.05 -1.87 -0.07 0.00 1.34 0.00 0.00 72.50 71.85 1wfk s THR 52 CO 0.72 0.58 1.95 -1.58 -0.54 0.00 0.00 174.62 175.75 1wfk s GLN 53 N -0.53 2.50 0.25 3.99 0.74 -1.26 -1.31 119.66 124.05 1wfk s GLN 53 Ca 0.07 -0.70 0.06 0.00 0.05 0.00 0.00 55.36 54.84 1wfk s GLN 53 Cb -0.11 -5.14 -0.03 0.00 1.10 0.00 0.00 33.01 28.83 1wfk s GLN 53 CO 0.01 -3.70 0.32 -0.65 -0.55 0.00 0.00 175.29 170.72 1wfk s GLN 54 N 6.79 3.25 -0.29 1.67 -1.52 -0.93 -4.63 119.66 124.00 1wfk s GLN 54 Ca 0.70 -0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 52.95 1wfk s GLN 54 Cb -0.04 -2.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.94 1wfk s GLN 54 CO 0.06 0.38 1.91 0.15 -0.25 0.00 0.00 175.29 177.54 1wfk s LYS 55 N -3.96 3.31 0.31 2.91 -0.14 -1.26 -1.60 119.74 119.31 1wfk s LYS 55 Ca 0.35 1.63 0.10 0.00 -1.36 0.00 0.00 55.97 56.69 1wfk s LYS 55 Cb -0.09 -4.24 -0.06 0.00 -1.68 0.00 0.00 37.83 31.77 1wfk s LYS 55 CO 0.28 -1.88 -0.10 0.14 -0.76 0.00 0.00 175.35 173.03 1wfk s VAL 56 N 7.16 2.53 0.56 3.17 -7.23 0.27 -4.10 120.40 122.76 1wfk s VAL 56 Ca 0.85 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 1wfk s VAL 56 Cb -0.26 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1wfk s VAL 56 CO 0.34 -0.29 1.05 0.00 -0.31 0.00 0.00 175.10 175.89 1wfk n LYS 58 N -1.74 -0.14 0.00 0.00 3.00 -0.98 -0.54 118.16 117.76 1wfk n LYS 58 Ca 0.09 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1wfk n LYS 58 Cb 0.53 -1.35 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 -3.66 0.00 -0.34 1.64 7.27 -1.26 -0.91 117.38 120.12 1wfk n GLN 59 Ca 0.01 0.75 -0.04 0.00 0.07 0.00 0.00 57.00 57.78 1wfk n GLN 59 Cb 0.08 -1.23 0.00 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 -0.06 0.35 0.11 0.00 -0.00 0.44 0.46 115.15 116.46 1wfk h HIS 61 Ca 0.27 0.01 -0.33 0.00 -0.00 0.00 0.00 60.37 60.33 1wfk h HIS 61 Cb 0.55 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 1wfk h HIS 61 CO -0.85 -0.02 -1.76 1.15 -0.00 0.00 0.00 177.93 176.46 1wfk h THR 62 N 0.16 0.88 -0.55 6.26 2.02 0.31 -3.22 112.91 118.78 1wfk h THR 62 Ca 0.65 -2.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 1wfk h THR 62 Cb 2.16 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 71.16 1wfk h THR 62 CO -0.20 0.79 0.10 0.40 0.37 0.00 0.00 175.52 176.99 1wfk h ILE 63 N 0.06 1.25 0.00 3.11 2.04 0.32 0.89 117.51 125.19 1wfk h ILE 63 Ca -0.33 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1wfk h ILE 63 Cb 2.03 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1wfk h ILE 63 CO 0.12 0.34 0.00 -0.07 0.00 0.00 0.00 178.15 178.55 1wfk h LEU 64 N 0.79 0.00 0.00 1.44 3.38 -0.42 -2.77 115.31 117.73 1wfk h LEU 64 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1wfk h LEU 64 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1wfk h LEU 64 CO 0.01 0.00 -2.13 0.35 0.09 0.00 0.00 178.44 176.76 1wfk n THR 65 N -2.61 0.59 0.09 0.22 -2.24 -0.89 -4.35 114.28 105.10 1wfk n THR 65 Ca 0.02 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 1wfk n THR 65 Cb 0.32 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.14 0.00 -0.78 0.11 0.93 -3.46 114.38 111.31 1wfk h ARG 66 Ca -0.23 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1wfk h ARG 66 Cb 1.51 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.63 1wfk h ARG 66 CO 0.01 0.85 0.00 0.41 0.10 0.00 0.00 179.97 181.34 1wfk n GLY 67 N 0.67 2.36 3.59 0.08 0.00 -1.06 -5.08 105.19 105.75 1wfk n GLY 67 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1wfk n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfk s SER 68 N 1.00 -0.15 0.25 1.61 0.01 -1.26 -4.97 113.70 110.18 1wfk s SER 68 Ca 0.00 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 1wfk s SER 68 Cb 0.00 0.16 0.42 0.00 0.21 0.00 0.00 66.02 66.81 1wfk s SER 68 CO 0.00 -0.25 1.80 -1.28 0.41 0.00 0.00 173.24 173.92 1wfk h SER 69 N 2.02 0.62 -3.59 2.44 0.87 -1.97 -3.37 113.55 110.58 1wfk h SER 69 Ca -0.10 0.06 -0.65 0.00 -1.23 0.00 0.00 61.79 59.86 1wfk h SER 69 Cb 1.17 -0.06 -0.16 0.00 -0.44 0.00 0.00 62.40 62.92 1wfk h SER 69 CO 0.24 0.34 -0.02 -1.81 -0.53 0.00 0.00 176.83 175.05 1wfk s ASP 70 N -5.56 6.30 -0.04 6.23 1.01 -1.26 -5.05 116.67 118.30 1wfk s ASP 70 Ca -0.12 -0.21 0.05 0.00 0.71 0.00 0.00 52.55 52.98 1wfk s ASP 70 Cb 0.20 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 1wfk s ASP 70 CO 0.78 -0.58 -0.21 0.54 0.21 0.00 0.00 175.17 175.91 1wfk s ASN 71 N 1.84 2.54 -0.23 0.27 4.22 -1.26 -5.13 114.94 117.19 1wfk s ASN 71 Ca 0.19 -0.41 -0.15 0.00 -2.14 0.00 0.00 52.86 50.35 1wfk s ASN 71 Cb -0.15 -0.63 0.07 0.00 1.28 0.00 0.00 41.25 41.81 1wfk s ASN 71 CO 0.15 0.20 0.57 0.00 -2.04 0.00 0.00 177.10 175.99 1wfk s ALA 72 N -0.12 -1.51 -1.53 3.54 0.00 -1.26 -4.93 121.76 115.95 1wfk s ALA 72 Ca -0.02 1.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.76 1wfk s ALA 72 Cb -0.12 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.94 1wfk s ALA 72 CO 0.02 -0.32 0.89 0.45 0.00 0.00 0.00 175.76 176.80 1wfk n SER 73 N 3.90 -3.90 -4.56 0.00 2.88 -1.26 -4.86 113.62 105.82 1wfk n SER 73 Ca -0.19 -0.84 -0.43 0.00 -1.33 0.00 0.00 58.87 56.08 1wfk n SER 73 Cb 0.57 -3.66 0.00 0.00 -0.75 0.00 0.00 64.21 60.37 1wfk n SER 73 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1wfk n LYS 74 N -4.58 1.13 -3.12 -1.46 -0.00 -1.26 -4.93 118.16 103.94 1wfk n LYS 74 Ca -0.01 0.40 -0.39 0.00 -0.00 0.00 0.00 58.31 58.31 1wfk n LYS 74 Cb 0.54 -1.82 -0.05 0.00 -0.00 0.00 0.00 35.03 33.70 1wfk n LYS 74 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1wfk s TRP 75 N -1.23 3.52 0.02 5.58 -0.00 -1.26 -5.07 118.94 120.50 1wfk s TRP 75 Ca 0.62 1.10 0.04 0.00 -0.00 0.00 0.00 56.10 57.86 1wfk s TRP 75 Cb -0.63 -2.75 -0.02 0.00 -0.00 0.00 0.00 33.47 30.08 1wfk s TRP 75 CO 0.58 0.05 -0.13 0.45 -0.00 0.00 0.00 176.95 177.89 1wfk s SER 76 N 0.84 1.58 0.27 5.86 0.15 -1.26 -5.13 113.70 116.01 1wfk s SER 76 Ca 0.33 -0.36 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 1wfk s SER 76 Cb -0.17 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 63.92 1wfk s SER 76 CO 0.14 0.08 1.25 -2.16 1.20 0.00 0.00 173.24 173.76 1wfk s PRO 77 N -0.80 4.44 0.96 5.44 0.04 -1.26 -5.02 135.00 138.80 1wfk s PRO 77 Ca 0.03 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1wfk s PRO 77 Cb -0.07 -3.14 0.17 0.00 0.04 0.00 0.00 34.50 31.50 1wfk s PRO 77 CO 0.01 -0.10 1.09 -1.25 0.04 0.00 0.00 177.00 176.78 1wfk s PRO 78 N -1.14 0.71 0.34 0.56 0.04 -1.26 -4.88 135.00 129.38 1wfk s PRO 78 Ca 0.50 0.63 0.14 0.00 0.04 0.00 0.00 61.00 62.31 1wfk s PRO 78 Cb -0.37 -1.76 1.10 0.00 0.04 0.00 0.00 34.50 33.52 1wfk s PRO 78 CO 0.45 -2.57 1.52 1.04 0.04 0.00 0.00 177.00 177.48 1wfk n GLN 79 N -4.08 -0.06 -3.11 4.56 1.13 -1.26 -4.13 117.38 110.43 1wfk n GLN 79 Ca 0.06 1.37 -0.39 0.00 -1.94 0.00 0.00 57.00 56.10 1wfk n GLN 79 Cb 0.56 -2.36 -0.05 0.00 0.11 0.00 0.00 30.24 28.50 1wfk n GLN 79 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1wfk s ASN 80 N -4.70 6.97 -0.26 1.08 -0.87 -1.26 -5.05 114.94 110.84 1wfk s ASN 80 Ca -0.10 1.16 -0.11 0.00 -1.57 0.00 0.00 52.86 52.24 1wfk s ASN 80 Cb 0.31 -2.39 0.11 0.00 -0.02 0.00 0.00 41.25 39.26 1wfk s ASN 80 CO 0.75 -0.04 0.59 -0.47 -2.57 0.00 0.00 177.10 175.36 1wfk s TYR 81 N 0.49 -1.12 -1.48 2.20 6.14 -1.26 -4.93 117.35 117.39 1wfk s TYR 81 Ca 0.35 2.05 -0.11 0.00 0.64 0.00 0.00 57.07 60.00 1wfk s TYR 81 Cb -0.18 0.63 0.07 0.00 0.42 0.00 0.00 41.96 42.90 1wfk s TYR 81 CO 0.17 -0.58 0.94 1.17 0.64 0.00 0.00 175.55 177.90 1wfk n LYS 82 N 5.10 -5.55 -3.80 4.97 4.81 -1.26 -4.97 118.16 117.45 1wfk n LYS 82 Ca -0.14 0.61 -0.13 0.00 -0.87 0.00 0.00 58.31 57.79 1wfk n LYS 82 Cb 0.52 -5.45 -0.12 0.00 0.02 0.00 0.00 35.03 30.00 1wfk n LYS 82 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wfk s SER 83 N -3.51 -0.21 0.00 3.14 0.15 -1.26 -5.13 113.70 106.89 1wfk s SER 83 Ca 0.54 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1wfk s SER 83 Cb -0.27 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1wfk s SER 83 CO 0.82 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.80 1wfk n GLY 84 N 2.98 -3.64 0.24 9.45 0.00 -1.26 -4.57 105.19 108.39 1wfk n GLY 84 Ca -0.13 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 43.94 1wfk n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfk h PRO 85 N 0.00 0.00 -6.31 1.61 0.13 -2.06 -3.45 132.00 121.93 1wfk h PRO 85 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1wfk h PRO 85 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1wfk h PRO 85 CO 0.00 0.17 0.77 0.43 -0.23 0.00 0.00 178.00 179.14 1wfk n SER 86 N -3.39 2.56 -4.19 1.44 7.64 -1.26 -4.93 113.62 111.48 1wfk n SER 86 Ca -0.00 1.07 -0.40 0.00 1.01 0.00 0.00 58.87 60.55 1wfk n SER 86 Cb 0.37 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 62.19 1wfk n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfk s SER 87 N 1.94 5.59 0.00 6.43 0.15 -1.26 -4.83 113.70 121.73 1wfk s SER 87 Ca 0.87 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1wfk s SER 87 Cb -0.85 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wfk s SER 87 CO 0.49 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.89