#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk h SER 2 N 0.00 -0.03 -3.52 1.61 0.02 -2.12 -3.46 113.55 106.06 1wfk h SER 2 Ca 0.00 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.28 1wfk h SER 2 Cb 0.00 0.01 -0.25 0.00 0.14 0.00 0.00 62.40 62.30 1wfk h SER 2 CO 0.00 0.57 -0.20 -0.55 -1.14 0.00 0.00 176.83 175.50 1wfk s SER 3 N -5.76 -0.55 -0.01 3.07 0.15 -1.26 -5.17 113.70 104.17 1wfk s SER 3 Ca -0.16 0.98 -0.16 0.00 0.70 0.00 0.00 55.95 57.31 1wfk s SER 3 Cb 0.01 0.92 0.03 0.00 -1.71 0.00 0.00 66.02 65.26 1wfk s SER 3 CO 0.65 -0.18 0.33 -0.83 1.20 0.00 0.00 173.24 174.40 1wfk s GLY 4 N 0.89 -0.17 0.18 9.45 0.00 -1.26 -5.13 107.32 111.28 1wfk s GLY 4 Ca -0.05 0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.72 1wfk s GLY 4 CO -0.07 0.15 1.57 -0.56 0.00 0.00 0.00 173.10 174.18 1wfk s SER 5 N -1.33 6.57 0.15 1.64 0.01 -1.26 -4.91 113.70 114.57 1wfk s SER 5 Ca -0.13 2.66 -0.29 0.00 1.31 0.00 0.00 55.95 59.49 1wfk s SER 5 Cb -0.05 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1wfk s SER 5 CO 0.04 -0.83 1.51 0.28 0.41 0.00 0.00 173.24 174.66 1wfk h SER 6 N 6.50 -2.02 -1.05 2.44 0.02 -2.07 -3.47 113.55 113.90 1wfk h SER 6 Ca -0.43 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wfk h SER 6 Cb 1.21 0.89 0.00 0.00 0.14 0.00 0.00 62.40 64.64 1wfk h SER 6 CO 0.90 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1wfk n GLY 7 N -1.24 0.57 3.08 -3.77 0.00 -1.26 -5.00 105.19 97.57 1wfk n GLY 7 Ca 0.02 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.36 2.24 0.04 1.61 0.00 -1.26 -4.94 119.30 116.63 1wfk s MET 8 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 55.69 54.33 1wfk s MET 8 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 34.83 31.90 1wfk s MET 8 CO 0.00 -0.58 -0.02 0.39 0.00 0.00 0.00 175.02 174.81 1wfk n GLU 9 N 4.45 0.02 -3.73 3.16 1.02 -1.26 -4.98 120.64 119.32 1wfk n GLU 9 Ca -0.14 0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.64 1wfk n GLU 9 Cb 0.42 -0.54 -0.11 0.00 -0.02 0.00 0.00 31.44 31.19 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfk s SER 10 N -5.54 5.34 0.33 1.62 0.01 -1.26 -5.08 113.70 109.12 1wfk s SER 10 Ca -0.01 -1.65 0.01 0.00 1.31 0.00 0.00 55.95 55.60 1wfk s SER 10 Cb 0.00 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.37 1wfk s SER 10 CO 0.02 -0.48 0.05 0.54 0.41 0.00 0.00 173.24 173.77 1wfk n ARG 11 N 4.73 1.17 -3.45 12.44 1.74 -1.26 -2.51 116.66 129.53 1wfk n ARG 11 Ca -0.08 -2.34 -0.36 0.00 -0.77 0.00 0.00 57.85 54.30 1wfk n ARG 11 Cb 0.42 0.56 -0.06 0.00 -1.02 0.00 0.00 32.46 32.37 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 1.24 1.24 0.00 0.00 4.19 0.16 -1.77 117.16 122.23 1wfk n TYR 13 Ca -0.09 -0.77 0.00 0.00 3.31 0.00 0.00 57.90 60.34 1wfk n TYR 13 Cb 0.52 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.90 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 -0.02 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.99 1wfk n GLY 14 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.85 -0.21 -2.11 0.00 0.00 -0.73 -4.96 120.51 111.66 1wfk n ALA 16 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 1wfk n ALA 16 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.39 4.43 -0.11 0.00 0.11 -1.26 -4.53 120.40 116.65 1wfk s VAL 17 Ca 0.00 1.84 -0.30 0.00 -2.93 0.00 0.00 61.98 60.60 1wfk s VAL 17 Cb 0.00 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.61 1wfk s VAL 17 CO 0.00 0.43 1.26 -0.75 -3.33 0.00 0.00 175.10 172.72 1wfk s LYS 18 N -0.62 4.28 -0.50 1.54 2.20 -1.26 -1.02 119.74 124.35 1wfk s LYS 18 Ca 0.40 1.70 -0.27 0.00 -0.36 0.00 0.00 55.97 57.44 1wfk s LYS 18 Cb -0.23 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1wfk s LYS 18 CO 0.27 -0.61 2.10 -0.06 -0.36 0.00 0.00 175.35 176.69 1wfk s PHE 19 N 2.99 1.40 0.42 4.03 0.08 -1.04 -4.74 117.98 121.12 1wfk s PHE 19 Ca 0.56 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.71 1wfk s PHE 19 Cb -0.24 -3.88 -0.05 0.00 -0.57 0.00 0.00 43.02 38.29 1wfk s PHE 19 CO 0.18 -2.62 0.03 0.95 -0.10 0.00 0.00 175.22 173.66 1wfk s THR 20 N 9.99 1.39 0.21 0.64 -4.23 0.25 -4.92 115.64 118.97 1wfk s THR 20 Ca 0.84 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1wfk s THR 20 Cb -0.17 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.36 1wfk s THR 20 CO 0.26 0.00 1.21 0.18 -0.54 0.00 0.00 174.62 175.73 1wfk n LEU 21 N -0.99 -0.34 -0.06 4.79 4.32 -1.26 0.91 117.00 124.37 1wfk n LEU 21 Ca -0.09 1.34 -0.12 0.00 -0.02 0.00 0.00 56.01 57.12 1wfk n LEU 21 Cb 0.67 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 42.03 1wfk n LEU 21 CO 0.43 -1.26 0.68 -0.26 -1.22 0.00 0.00 177.39 175.75 1wfk h PHE 22 N 0.00 0.37 -3.34 -1.77 0.04 -1.95 -3.40 116.94 106.89 1wfk h PHE 22 Ca 0.34 -0.09 -0.74 0.00 2.80 0.00 0.00 57.97 60.29 1wfk h PHE 22 Cb 0.54 -0.09 -0.22 0.00 2.20 0.00 0.00 35.95 38.38 1wfk h PHE 22 CO -0.62 0.63 -0.35 0.21 -0.60 0.00 0.00 178.31 177.58 1wfk s LYS 23 N -4.63 2.96 0.84 1.51 2.47 0.26 -5.07 119.74 118.08 1wfk s LYS 23 Ca -0.14 -1.31 -0.12 0.00 -1.56 0.00 0.00 55.97 52.84 1wfk s LYS 23 Cb 0.06 -4.10 0.09 0.00 -1.46 0.00 0.00 37.83 32.42 1wfk s LYS 23 CO 0.74 -0.99 1.11 0.15 0.16 0.00 0.00 175.35 176.52 1wfk s LYS 24 N 1.64 1.74 -0.18 4.03 -0.14 -1.22 0.87 119.74 126.48 1wfk s LYS 24 Ca 0.04 0.49 -0.07 0.00 -1.36 0.00 0.00 55.97 55.07 1wfk s LYS 24 Cb -0.23 -1.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1wfk s LYS 24 CO 0.07 -1.82 0.04 -2.00 -0.76 0.00 0.00 175.35 170.88 1wfk s GLU 25 N -5.22 3.89 0.30 1.68 2.12 -1.26 -3.89 118.70 116.33 1wfk s GLU 25 Ca 0.62 -0.39 0.10 0.00 0.36 0.00 0.00 54.97 55.66 1wfk s GLU 25 Cb -0.14 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 1wfk s GLU 25 CO 0.54 0.24 -0.12 0.71 -0.54 0.00 0.00 175.26 176.08 1wfk s TYR 26 N 0.45 2.24 0.05 5.30 1.51 0.23 -4.94 117.35 122.20 1wfk s TYR 26 Ca 0.02 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.64 1wfk s TYR 26 Cb -0.13 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1wfk s TYR 26 CO 0.01 0.56 -0.15 0.20 -1.11 0.00 0.00 175.55 175.06 1wfk s GLY 27 N -3.53 0.83 0.27 0.71 0.00 -1.26 -0.51 107.32 103.83 1wfk s GLY 27 Ca 0.30 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.16 1wfk s GLY 27 CO 0.15 -0.87 0.44 0.00 0.00 0.00 0.00 173.10 172.81 1wfk n LYS 29 N -1.39 0.62 0.00 0.00 4.76 -1.26 -3.51 118.16 117.38 1wfk n LYS 29 Ca -0.06 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wfk n LYS 29 Cb 0.56 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 -3.58 0.00 -0.00 4.39 5.15 -1.26 -4.05 115.26 115.91 1wfk n ASN 30 Ca -0.48 0.63 -0.08 0.00 -0.60 0.00 0.00 54.58 54.05 1wfk n ASN 30 Cb 0.95 -0.25 0.08 0.00 -0.53 0.00 0.00 39.78 40.03 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 0.13 0.57 3.61 0.00 0.00 -1.23 -5.05 105.19 103.23 1wfk n GLY 32 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.66 2.01 -0.15 1.61 0.52 -1.26 -4.81 118.95 112.21 1wfk s ARG 33 Ca 0.03 -1.84 -0.23 0.00 -0.52 0.00 0.00 55.73 53.18 1wfk s ARG 33 Cb -0.02 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1wfk s ARG 33 CO 0.08 0.10 0.71 0.00 0.02 0.00 0.00 175.30 176.21 1wfk s ALA 34 N -2.57 3.47 0.17 2.13 0.00 -1.26 -1.32 121.76 122.38 1wfk s ALA 34 Ca 0.35 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1wfk s ALA 34 Cb 0.02 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1wfk s ALA 34 CO 0.19 -0.44 -0.05 -0.06 0.00 0.00 0.00 175.76 175.40 1wfk s PHE 35 N 1.62 1.28 -0.03 0.00 0.08 0.33 0.40 117.98 121.66 1wfk s PHE 35 Ca 0.34 -0.87 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1wfk s PHE 35 Cb -0.17 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 1wfk s PHE 35 CO 0.13 -0.04 0.29 0.00 -0.10 0.00 0.00 175.22 175.50 1wfk n ASN 37 N 1.68 0.12 -0.03 0.00 5.15 -1.25 0.23 115.26 121.15 1wfk n ASN 37 Ca -0.15 0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 54.53 1wfk n ASN 37 Cb 0.53 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 39.31 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1wfk h GLY 38 N 0.00 0.19 1.33 8.20 0.00 -1.92 -3.23 103.07 107.63 1wfk h GLY 38 Ca 0.54 -0.13 -0.32 0.00 0.00 0.00 0.00 47.33 47.41 1wfk h GLY 38 CO -0.26 0.12 -1.42 0.00 0.00 0.00 0.00 176.54 174.98 1wfk n LEU 40 N -3.69 7.99 -0.79 0.00 7.94 0.93 -2.93 117.00 126.44 1wfk n LEU 40 Ca -0.15 -4.68 0.02 0.00 -1.11 0.00 0.00 56.01 50.10 1wfk n LEU 40 Cb 1.08 -1.39 0.20 0.00 0.53 0.00 0.00 43.42 43.85 1wfk n LEU 40 CO 0.59 2.03 0.46 -1.54 -1.11 0.00 0.00 177.39 177.82 1wfk n SER 41 N 2.02 1.97 -4.30 1.96 3.41 -1.22 -4.71 113.62 112.75 1wfk n SER 41 Ca 0.64 -3.88 -0.16 0.00 -0.26 0.00 0.00 58.87 55.21 1wfk n SER 41 Cb 0.29 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.25 1.50 -0.00 7.33 0.40 -1.15 -5.04 117.98 117.76 1wfk s PHE 42 Ca 0.40 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1wfk s PHE 42 Cb 0.38 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 43.17 1wfk s PHE 42 CO -0.05 0.20 -0.02 -1.12 0.70 0.00 0.00 175.22 174.93 1wfk s SER 43 N -3.25 0.23 -0.05 1.36 0.01 -1.26 0.48 113.70 111.22 1wfk s SER 43 Ca 0.20 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 1wfk s SER 43 Cb 0.01 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1wfk s SER 43 CO 0.04 0.01 0.59 0.00 0.41 0.00 0.00 173.24 174.29 1wfk s ALA 44 N 0.08 -1.53 -0.09 1.44 0.00 -0.58 -4.89 121.76 116.20 1wfk s ALA 44 Ca -0.00 1.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 1wfk s ALA 44 Cb -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 1wfk s ALA 44 CO -0.00 -0.34 1.99 1.28 0.00 0.00 0.00 175.76 178.69 1wfk n LEU 45 N 1.04 3.57 -4.54 0.00 4.77 -1.26 -2.40 117.00 118.19 1wfk n LEU 45 Ca -0.19 0.78 -0.36 0.00 -0.03 0.00 0.00 56.01 56.20 1wfk n LEU 45 Cb 0.57 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.10 1wfk n LEU 45 CO 0.23 -0.12 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.25 1wfk s VAL 46 N 5.14 4.75 -0.08 4.08 1.01 -0.73 -4.77 120.40 129.81 1wfk s VAL 46 Ca 0.94 -0.03 0.31 0.00 0.00 0.00 0.00 61.98 63.20 1wfk s VAL 46 Cb -0.56 -3.22 0.34 0.00 0.00 0.00 0.00 36.38 32.94 1wfk s VAL 46 CO 0.46 0.34 1.90 1.55 0.00 0.00 0.00 175.10 179.35 1wfk h PRO 47 N 7.91 0.00 -0.01 2.72 0.13 -1.92 0.68 132.00 141.51 1wfk h PRO 47 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1wfk h PRO 47 Cb 1.18 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 -0.86 0.00 -0.23 0.00 0.00 178.00 177.51 1wfk h ARG 48 N 0.00 0.60 0.00 0.86 3.08 -1.93 -3.29 114.38 113.70 1wfk h ARG 48 Ca 0.00 -0.63 -0.19 0.00 0.07 0.00 0.00 59.98 59.23 1wfk h ARG 48 Cb 0.44 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1wfk h ARG 48 CO 0.00 1.24 -0.94 0.00 -1.07 0.00 0.00 179.97 179.20 1wfk h ALA 49 N 0.38 0.45 0.00 0.04 0.00 -1.86 -3.47 119.26 114.80 1wfk h ALA 49 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1wfk h ALA 49 Cb 1.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1wfk h ALA 49 CO 0.17 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.96 1wfk n GLY 50 N 1.33 0.56 3.71 0.00 0.00 -0.76 -4.84 105.19 105.20 1wfk n GLY 50 Ca -0.01 0.00 -0.22 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 -1.32 -4.26 1.61 4.13 0.23 -4.96 115.26 110.69 1wfk n ASN 51 Ca 0.00 -0.82 -0.32 0.00 1.68 0.00 0.00 54.58 55.12 1wfk n ASN 51 Cb 0.00 -4.04 -0.16 0.00 -1.54 0.00 0.00 39.78 34.04 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1wfk s THR 52 N -3.66 2.20 -0.87 3.41 -4.23 -1.18 -4.71 115.64 106.60 1wfk s THR 52 Ca 0.04 -0.99 -0.27 0.00 -1.18 0.00 0.00 61.69 59.29 1wfk s THR 52 Cb -0.02 -1.83 -0.24 0.00 1.34 0.00 0.00 72.50 71.75 1wfk s THR 52 CO 0.81 0.56 1.98 1.67 -0.54 0.00 0.00 174.62 179.10 1wfk n GLN 53 N 3.27 0.36 -3.13 3.99 7.27 -1.26 -1.77 117.38 126.10 1wfk n GLN 53 Ca -0.18 -1.68 -0.25 0.00 0.07 0.00 0.00 57.00 54.96 1wfk n GLN 53 Cb 0.53 -3.58 -0.01 0.00 2.41 0.00 0.00 30.24 29.59 1wfk n GLN 53 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1wfk s GLN 54 N 7.79 3.47 -0.26 3.69 -1.52 -1.01 -4.60 119.66 127.22 1wfk s GLN 54 Ca 0.76 -0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.70 1wfk s GLN 54 Cb 0.01 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.20 1wfk s GLN 54 CO 0.21 0.01 1.69 0.15 -0.25 0.00 0.00 175.29 177.11 1wfk s LYS 55 N -4.46 3.62 0.35 2.91 -0.14 -1.26 -1.52 119.74 119.23 1wfk s LYS 55 Ca 0.43 1.58 0.09 0.00 -1.36 0.00 0.00 55.97 56.71 1wfk s LYS 55 Cb -0.10 -4.10 -0.07 0.00 -1.68 0.00 0.00 37.83 31.88 1wfk s LYS 55 CO 0.39 -1.52 -0.08 0.14 -0.76 0.00 0.00 175.35 173.52 1wfk s VAL 56 N 5.86 2.22 0.57 3.17 -7.23 0.18 -4.07 120.40 121.09 1wfk s VAL 56 Ca 0.75 -2.17 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 1wfk s VAL 56 Cb -0.24 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 33.94 1wfk s VAL 56 CO 0.31 -0.18 1.01 0.00 -0.31 0.00 0.00 175.10 175.94 1wfk n LYS 58 N -2.09 -0.14 0.00 0.00 3.00 -1.15 -0.29 118.16 117.50 1wfk n LYS 58 Ca 0.07 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1wfk n LYS 58 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.12 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 -3.65 0.00 -0.33 1.64 7.27 -1.26 -1.22 117.38 119.83 1wfk n GLN 59 Ca 0.01 0.80 -0.02 0.00 0.07 0.00 0.00 57.00 57.85 1wfk n GLN 59 Cb 0.08 -1.30 0.03 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.05 0.42 0.11 0.00 -0.00 0.65 0.33 115.15 116.61 1wfk h HIS 61 Ca 0.31 0.02 -0.29 0.00 -0.00 0.00 0.00 60.37 60.41 1wfk h HIS 61 Cb 0.58 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1wfk h HIS 61 CO -0.80 -0.04 -1.52 1.15 -0.00 0.00 0.00 177.93 176.72 1wfk h THR 62 N 0.18 0.94 -0.87 6.26 2.02 0.25 -3.23 112.91 118.46 1wfk h THR 62 Ca 0.68 -2.37 0.06 0.00 0.77 0.00 0.00 66.41 65.55 1wfk h THR 62 Cb 2.17 2.63 -0.06 0.00 -1.74 0.00 0.00 68.15 71.15 1wfk h THR 62 CO -0.25 0.71 0.55 0.40 0.37 0.00 0.00 175.52 177.29 1wfk h ILE 63 N -0.29 1.06 0.00 3.11 2.04 0.17 1.65 117.51 125.25 1wfk h ILE 63 Ca -0.33 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1wfk h ILE 63 Cb 1.78 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1wfk h ILE 63 CO 0.04 0.18 -0.04 -0.07 0.00 0.00 0.00 178.15 178.27 1wfk h LEU 64 N 1.00 0.00 0.00 1.44 3.38 -0.61 -2.89 115.31 117.63 1wfk h LEU 64 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1wfk h LEU 64 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wfk h LEU 64 CO -0.17 0.04 -1.29 0.35 0.09 0.00 0.00 178.44 177.46 1wfk n THR 65 N -3.14 0.00 1.07 0.22 -2.24 -0.09 -4.18 114.28 105.92 1wfk n THR 65 Ca 0.01 -0.20 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1wfk n THR 65 Cb 0.37 0.64 0.34 0.00 -2.10 0.00 0.00 70.33 69.58 1wfk n THR 65 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfk n ARG 66 N -1.74 1.95 -0.86 -0.78 1.85 0.54 -4.95 116.66 112.67 1wfk n ARG 66 Ca 0.01 -1.41 -0.26 0.00 -1.00 0.00 0.00 57.85 55.19 1wfk n ARG 66 Cb 0.39 -1.44 -0.09 0.00 -1.05 0.00 0.00 32.46 30.27 1wfk n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wfk n GLY 67 N 1.24 -0.26 0.12 2.89 0.00 -1.15 -4.74 105.19 103.30 1wfk n GLY 67 Ca 0.17 0.68 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 1wfk n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wfk h SER 68 N 6.79 0.20 -1.80 1.61 4.64 -1.92 -3.42 113.55 119.64 1wfk h SER 68 Ca -0.03 -0.16 -0.49 0.00 -0.47 0.00 0.00 61.79 60.64 1wfk h SER 68 Cb 0.78 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1wfk h SER 68 CO 0.79 0.95 1.54 -0.44 -0.87 0.00 0.00 176.83 178.81 1wfk s SER 69 N -6.89 4.81 -0.01 4.97 0.01 -1.26 -4.67 113.70 110.66 1wfk s SER 69 Ca -0.02 1.06 -0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wfk s SER 69 Cb 0.10 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 1wfk s SER 69 CO 0.82 -2.60 -0.01 0.47 0.41 0.00 0.00 173.24 172.33 1wfk n ASP 70 N 14.43 1.79 -4.76 2.44 8.00 -1.26 -4.99 116.55 132.20 1wfk n ASP 70 Ca 0.32 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 1wfk n ASP 70 Cb 0.53 -0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.67 1wfk n ASP 70 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wfk s ASN 71 N -4.67 4.68 -1.49 -2.24 2.20 -1.26 -3.47 114.94 108.69 1wfk s ASN 71 Ca -0.02 2.01 -0.12 0.00 -0.94 0.00 0.00 52.86 53.79 1wfk s ASN 71 Cb 0.01 -2.55 0.07 0.00 -2.00 0.00 0.00 41.25 36.77 1wfk s ASN 71 CO 0.02 -1.92 0.97 0.00 -2.94 0.00 0.00 177.10 173.23 1wfk n ALA 72 N -2.89 -1.38 -0.04 3.54 0.00 -1.26 -4.88 120.51 113.60 1wfk n ALA 72 Ca 0.10 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1wfk n ALA 72 Cb 0.52 -4.27 -0.03 0.00 0.00 0.00 0.00 19.45 15.67 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 -2.88 1.13 -4.18 0.00 7.64 -1.23 -4.93 113.62 109.17 1wfk n SER 73 Ca -0.01 0.18 -0.39 0.00 1.01 0.00 0.00 58.87 59.67 1wfk n SER 73 Cb 0.55 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1wfk n SER 73 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wfk s LYS 74 N -2.30 2.30 -0.11 1.43 2.47 -1.26 -5.04 119.74 117.23 1wfk s LYS 74 Ca -0.15 -1.74 -0.30 0.00 -1.56 0.00 0.00 55.97 52.22 1wfk s LYS 74 Cb 0.04 -3.76 0.09 0.00 -1.46 0.00 0.00 37.83 32.74 1wfk s LYS 74 CO 0.20 -1.11 0.78 -0.46 0.16 0.00 0.00 175.35 174.92 1wfk s TRP 75 N 1.28 -0.59 0.01 4.03 -0.00 -1.26 -5.17 118.94 117.23 1wfk s TRP 75 Ca 0.06 1.08 0.03 0.00 -0.00 0.00 0.00 56.10 57.27 1wfk s TRP 75 Cb -0.24 0.41 -0.01 0.00 -0.00 0.00 0.00 33.47 33.62 1wfk s TRP 75 CO -0.02 -0.51 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.81 1wfk s SER 76 N -0.97 0.94 0.62 5.86 1.04 -1.26 -5.15 113.70 114.78 1wfk s SER 76 Ca -0.07 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 55.95 1wfk s SER 76 Cb -0.01 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1wfk s SER 76 CO 0.06 0.03 1.12 -2.16 0.98 0.00 0.00 173.24 173.27 1wfk s PRO 77 N -0.54 3.00 0.86 4.02 0.04 -1.26 -5.05 135.00 136.07 1wfk s PRO 77 Ca 0.00 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1wfk s PRO 77 Cb -0.05 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.74 1wfk s PRO 77 CO 0.00 -1.11 0.76 -0.35 0.04 0.00 0.00 177.00 176.34 1wfk n PRO 78 N -2.03 -2.52 0.04 0.56 -0.04 -1.26 -5.00 135.00 124.76 1wfk n PRO 78 Ca 0.11 -1.22 -0.12 0.00 -0.04 0.00 0.00 63.50 62.23 1wfk n PRO 78 Cb 0.52 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.75 1wfk n PRO 78 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wfk h GLN 79 N 0.00 -0.16 -4.31 0.54 5.75 -2.08 -3.39 115.11 111.46 1wfk h GLN 79 Ca -0.29 0.01 -0.75 0.00 -0.15 0.00 0.00 58.65 57.48 1wfk h GLN 79 Cb 0.88 0.04 -0.23 0.00 1.07 0.00 0.00 27.48 29.24 1wfk h GLN 79 CO 0.19 0.30 0.33 -0.80 -2.65 0.00 0.00 178.83 176.20 1wfk s ASN 80 N -5.52 6.65 -0.24 -0.69 -0.87 -1.26 -4.82 114.94 108.19 1wfk s ASN 80 Ca -0.14 -2.34 -0.16 0.00 -1.57 0.00 0.00 52.86 48.64 1wfk s ASN 80 Cb 0.01 -2.28 -0.16 0.00 -0.02 0.00 0.00 41.25 38.80 1wfk s ASN 80 CO 0.56 -0.79 -0.06 0.00 -2.57 0.00 0.00 177.10 174.24 1wfk n TYR 81 N 5.06 0.53 -0.04 2.20 4.19 -1.26 -4.68 117.16 123.15 1wfk n TYR 81 Ca 0.14 0.21 -0.01 0.00 3.31 0.00 0.00 57.90 61.55 1wfk n TYR 81 Cb 0.47 -1.05 -0.10 0.00 0.49 0.00 0.00 39.34 39.15 1wfk n TYR 81 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1wfk n LYS 82 N -4.23 1.34 -3.80 2.98 2.85 -1.26 -4.99 118.16 111.05 1wfk n LYS 82 Ca -0.43 -0.05 -0.31 0.00 -1.05 0.00 0.00 58.31 56.47 1wfk n LYS 82 Cb 0.81 -1.31 -0.06 0.00 -0.65 0.00 0.00 35.03 33.82 1wfk n LYS 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wfk n SER 83 N -2.25 -1.01 -3.50 -5.58 2.88 -1.26 -4.83 113.62 98.07 1wfk n SER 83 Ca -0.13 -0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 56.35 1wfk n SER 83 Cb 0.67 -1.20 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 1wfk n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfk s GLY 84 N -2.93 -0.50 -0.24 0.46 0.00 -1.26 -5.09 107.32 97.77 1wfk s GLY 84 Ca 0.52 1.12 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 1wfk s GLY 84 CO 0.77 0.56 1.62 2.56 0.00 0.00 0.00 173.10 178.61 1wfk s PRO 85 N -2.47 3.75 -1.32 2.90 0.04 -1.26 -3.67 135.00 132.98 1wfk s PRO 85 Ca -0.01 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 1wfk s PRO 85 Cb -0.01 -4.05 0.14 0.00 0.04 0.00 0.00 34.50 30.62 1wfk s PRO 85 CO -0.04 -1.34 0.34 0.45 0.04 0.00 0.00 177.00 176.45 1wfk n SER 86 N 8.59 -0.89 -4.35 6.66 2.88 -1.26 -4.87 113.62 120.37 1wfk n SER 86 Ca 0.19 -0.91 -0.32 0.00 -1.33 0.00 0.00 58.87 56.50 1wfk n SER 86 Cb 0.45 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 62.61 1wfk n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfk s SER 87 N -2.92 3.61 0.00 -3.46 0.01 -1.24 -5.25 113.70 104.46 1wfk s SER 87 Ca 0.48 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1wfk s SER 87 Cb -0.28 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1wfk s SER 87 CO 0.74 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.24