#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk n SER 2 N 0.00 5.74 -3.64 1.61 3.41 -1.26 -4.76 113.62 114.72 1wfk n SER 2 Ca 0.00 -2.74 -0.19 0.00 -0.26 0.00 0.00 58.87 55.68 1wfk n SER 2 Cb 0.00 -1.28 -0.16 0.00 -0.26 0.00 0.00 64.21 62.51 1wfk n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wfk s SER 3 N 1.33 1.18 0.00 4.04 0.01 -1.26 -5.04 113.70 113.97 1wfk s SER 3 Ca 0.49 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wfk s SER 3 Cb 0.27 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wfk s SER 3 CO -0.06 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1wfk n GLY 4 N 5.31 -0.53 0.42 3.44 0.00 -1.26 -4.98 105.19 107.58 1wfk n GLY 4 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1wfk n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wfk h SER 5 N 0.00 -1.72 -6.37 1.61 4.64 -1.98 -3.45 113.55 106.28 1wfk h SER 5 Ca 0.00 0.26 -0.49 0.00 -0.47 0.00 0.00 61.79 61.09 1wfk h SER 5 Cb 0.00 0.75 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 1wfk h SER 5 CO 0.00 -0.35 -0.78 -1.20 -0.87 0.00 0.00 176.83 173.63 1wfk n SER 6 N -5.38 -4.31 -4.32 4.97 7.64 -1.26 -4.93 113.62 106.03 1wfk n SER 6 Ca -0.00 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 1wfk n SER 6 Cb 0.34 -3.70 -0.10 0.00 -1.01 0.00 0.00 64.21 59.73 1wfk n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfk s GLY 7 N -3.38 1.95 -0.48 0.23 0.00 -1.26 -4.94 107.32 99.44 1wfk s GLY 7 Ca 0.63 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1wfk s GLY 7 CO 0.85 0.92 1.67 1.15 0.00 0.00 0.00 173.10 177.68 1wfk n MET 8 N 4.97 2.94 -0.24 2.90 -0.00 -1.26 -5.03 117.12 121.38 1wfk n MET 8 Ca -0.11 -3.60 -0.17 0.00 -0.00 0.00 0.00 57.70 53.82 1wfk n MET 8 Cb 0.44 -2.24 0.16 0.00 -0.00 0.00 0.00 33.22 31.59 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 -0.87 -2.69 -1.56 3.17 4.71 -1.26 -4.70 120.64 117.43 1wfk n GLU 9 Ca 0.53 -0.80 -0.40 0.00 -0.01 0.00 0.00 57.16 56.48 1wfk n GLU 9 Cb 0.86 -1.21 -0.04 0.00 -1.01 0.00 0.00 31.44 30.04 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1wfk n SER 10 N -3.39 2.59 -3.47 1.62 7.64 -1.26 -4.92 113.62 112.43 1wfk n SER 10 Ca 0.08 -0.16 -0.18 0.00 1.01 0.00 0.00 58.87 59.62 1wfk n SER 10 Cb 0.33 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 61.96 1wfk n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfk n ARG 11 N 8.85 1.29 -3.48 1.43 1.74 -1.26 -2.32 116.66 122.90 1wfk n ARG 11 Ca 0.36 -2.07 -0.35 0.00 -0.77 0.00 0.00 57.85 55.01 1wfk n ARG 11 Cb 0.47 0.58 -0.06 0.00 -1.02 0.00 0.00 32.46 32.43 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 0.96 1.58 0.00 0.00 4.19 0.21 -2.07 117.16 122.02 1wfk n TYR 13 Ca -0.08 -0.99 0.00 0.00 3.31 0.00 0.00 57.90 60.15 1wfk n TYR 13 Cb 0.52 -0.55 0.00 0.00 0.49 0.00 0.00 39.34 39.80 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 -0.18 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.82 1wfk n GLY 14 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.15 -2.65 0.00 0.00 -0.88 -4.96 120.51 111.04 1wfk n ALA 16 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1wfk n ALA 16 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.28 4.68 0.15 0.00 0.11 -1.26 -4.51 120.40 117.29 1wfk s VAL 17 Ca 0.00 2.01 -0.31 0.00 -2.93 0.00 0.00 61.98 60.74 1wfk s VAL 17 Cb 0.00 -4.29 -0.10 0.00 -1.53 0.00 0.00 36.38 30.46 1wfk s VAL 17 CO 0.00 -0.13 1.62 -0.75 -3.33 0.00 0.00 175.10 172.51 1wfk s LYS 18 N 2.93 4.19 0.25 1.54 2.20 -1.26 -2.19 119.74 127.39 1wfk s LYS 18 Ca 0.46 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 58.18 1wfk s LYS 18 Cb -0.16 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.82 1wfk s LYS 18 CO 0.09 -0.67 1.18 -0.06 -0.36 0.00 0.00 175.35 175.54 1wfk s PHE 19 N 1.52 3.41 0.22 4.03 0.08 -0.98 -4.86 117.98 121.41 1wfk s PHE 19 Ca 0.72 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 59.28 1wfk s PHE 19 Cb -0.44 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1wfk s PHE 19 CO 0.32 -1.10 0.30 0.25 -0.10 0.00 0.00 175.22 174.89 1wfk n THR 20 N 1.74 0.00 -0.30 0.64 -2.24 0.17 -4.94 114.28 109.35 1wfk n THR 20 Ca 0.02 -1.20 0.10 0.00 -2.27 0.00 0.00 64.05 60.69 1wfk n THR 20 Cb 0.44 0.71 0.26 0.00 -2.10 0.00 0.00 70.33 69.64 1wfk n THR 20 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wfk h LEU 21 N 0.00 0.45 0.04 3.22 -0.00 -2.00 -0.83 115.31 116.19 1wfk h LEU 21 Ca -0.17 0.12 -0.26 0.00 -0.00 0.00 0.00 57.88 57.56 1wfk h LEU 21 Cb 0.76 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 1wfk h LEU 21 CO 0.23 0.13 -1.37 2.19 -0.00 0.00 0.00 178.44 179.63 1wfk h PHE 22 N 0.53 0.16 -3.68 1.13 -0.00 -1.98 -3.40 116.94 109.70 1wfk h PHE 22 Ca 0.50 -0.12 -0.76 0.00 -0.00 0.00 0.00 57.97 57.59 1wfk h PHE 22 Cb 0.82 -0.01 -0.29 0.00 -0.00 0.00 0.00 35.95 36.47 1wfk h PHE 22 CO -0.11 1.13 0.05 0.21 -0.00 0.00 0.00 178.31 179.60 1wfk s LYS 23 N -2.65 3.48 0.88 6.09 2.47 -0.32 -5.06 119.74 124.62 1wfk s LYS 23 Ca -0.04 -2.70 -0.10 0.00 -1.56 0.00 0.00 55.97 51.56 1wfk s LYS 23 Cb 0.08 -4.27 0.12 0.00 -1.46 0.00 0.00 37.83 32.31 1wfk s LYS 23 CO 0.83 -1.26 1.12 0.15 0.16 0.00 0.00 175.35 176.35 1wfk s LYS 24 N -0.31 1.36 -0.13 4.03 -0.14 -1.20 0.41 119.74 123.77 1wfk s LYS 24 Ca 0.21 1.32 -0.06 0.00 -1.36 0.00 0.00 55.97 56.08 1wfk s LYS 24 Cb -0.12 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1wfk s LYS 24 CO -0.08 -2.32 0.07 -2.00 -0.76 0.00 0.00 175.35 170.27 1wfk s GLU 25 N -4.75 3.51 0.29 1.68 2.12 -1.26 -4.06 118.70 116.23 1wfk s GLU 25 Ca 0.65 -0.28 0.11 0.00 0.36 0.00 0.00 54.97 55.80 1wfk s GLU 25 Cb -0.21 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1wfk s GLU 25 CO 0.58 0.58 -0.17 0.71 -0.54 0.00 0.00 175.26 176.41 1wfk s TYR 26 N -0.48 2.30 0.05 5.30 1.51 0.23 -4.94 117.35 121.32 1wfk s TYR 26 Ca 0.10 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1wfk s TYR 26 Cb -0.12 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1wfk s TYR 26 CO 0.02 0.67 -0.17 0.20 -1.11 0.00 0.00 175.55 175.16 1wfk s GLY 27 N -3.53 0.96 0.30 0.71 0.00 -1.26 -0.43 107.32 104.07 1wfk s GLY 27 Ca 0.30 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1wfk s GLY 27 CO 0.15 -0.94 0.46 0.00 0.00 0.00 0.00 173.10 172.77 1wfk n LYS 29 N -1.57 0.60 0.00 0.00 4.76 -1.26 -3.53 118.16 117.16 1wfk n LYS 29 Ca -0.06 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1wfk n LYS 29 Cb 0.56 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 -3.50 0.00 0.03 4.39 5.15 -1.26 -4.06 115.26 116.00 1wfk n ASN 30 Ca -0.46 0.66 -0.09 0.00 -0.60 0.00 0.00 54.58 54.08 1wfk n ASN 30 Cb 0.94 -0.27 0.05 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.36 0.48 3.64 0.00 0.00 -1.23 -5.05 105.19 103.39 1wfk n GLY 32 Ca -0.04 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.56 2.03 -0.17 1.61 0.52 -1.26 -4.81 118.95 112.31 1wfk s ARG 33 Ca 0.03 -1.91 -0.23 0.00 -0.52 0.00 0.00 55.73 53.11 1wfk s ARG 33 Cb -0.01 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1wfk s ARG 33 CO 0.11 0.02 0.71 0.00 0.02 0.00 0.00 175.30 176.16 1wfk s ALA 34 N -2.61 3.51 0.15 2.13 0.00 -1.26 -1.52 121.76 122.16 1wfk s ALA 34 Ca 0.36 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1wfk s ALA 34 Cb 0.04 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1wfk s ALA 34 CO 0.19 -0.54 -0.08 -0.06 0.00 0.00 0.00 175.76 175.27 1wfk s PHE 35 N 1.88 1.22 -0.03 0.00 0.08 0.43 0.64 117.98 122.20 1wfk s PHE 35 Ca 0.33 -0.82 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 1wfk s PHE 35 Cb -0.16 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1wfk s PHE 35 CO 0.12 0.01 0.32 0.00 -0.10 0.00 0.00 175.22 175.57 1wfk n ASN 37 N 1.78 0.15 -0.01 0.00 2.85 -1.26 0.24 115.26 119.01 1wfk n ASN 37 Ca -0.15 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 -0.07 0.00 1.24 0.00 0.00 39.78 41.08 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 0.11 1.35 8.20 0.00 -1.93 -3.17 103.07 107.64 1wfk h GLY 38 Ca 0.47 -0.06 -0.31 0.00 0.00 0.00 0.00 47.33 47.43 1wfk h GLY 38 CO -0.32 0.06 -1.36 0.00 0.00 0.00 0.00 176.54 174.92 1wfk n LEU 40 N -3.69 7.84 -1.11 0.00 7.94 0.94 -2.51 117.00 126.39 1wfk n LEU 40 Ca -0.14 -4.67 -0.05 0.00 -1.11 0.00 0.00 56.01 50.04 1wfk n LEU 40 Cb 1.05 -1.36 0.14 0.00 0.53 0.00 0.00 43.42 43.78 1wfk n LEU 40 CO 0.58 2.01 0.32 -1.54 -1.11 0.00 0.00 177.39 177.65 1wfk n SER 41 N 1.82 2.87 -4.27 1.96 3.41 -1.20 -4.70 113.62 113.50 1wfk n SER 41 Ca 0.62 -3.85 -0.15 0.00 -0.26 0.00 0.00 58.87 55.23 1wfk n SER 41 Cb 0.31 -0.47 -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 -3.37 1.33 -0.00 7.33 0.40 -1.14 -5.04 117.98 117.49 1wfk s PHE 42 Ca 0.43 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1wfk s PHE 42 Cb 0.39 -0.73 -0.00 0.00 0.51 0.00 0.00 43.02 43.18 1wfk s PHE 42 CO -0.03 -0.02 -0.03 -1.12 0.70 0.00 0.00 175.22 174.71 1wfk s SER 43 N -3.21 0.39 -0.12 1.36 0.01 -1.26 0.69 113.70 111.57 1wfk s SER 43 Ca 0.21 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1wfk s SER 43 Cb 0.04 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.32 1wfk s SER 43 CO 0.03 0.03 0.78 0.00 0.41 0.00 0.00 173.24 174.50 1wfk s ALA 44 N -0.12 -1.82 -0.06 1.44 0.00 -0.64 -4.88 121.76 115.67 1wfk s ALA 44 Ca 0.01 1.51 -0.35 0.00 0.00 0.00 0.00 51.96 53.13 1wfk s ALA 44 Cb -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 23.12 22.56 1wfk s ALA 44 CO -0.00 -0.34 1.76 1.28 0.00 0.00 0.00 175.76 178.46 1wfk n LEU 45 N 1.17 3.08 -4.35 0.00 4.77 -1.26 -2.68 117.00 117.74 1wfk n LEU 45 Ca -0.16 1.02 -0.35 0.00 -0.03 0.00 0.00 56.01 56.49 1wfk n LEU 45 Cb 0.57 -1.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.19 1wfk n LEU 45 CO 0.18 -0.23 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.95 1wfk s VAL 46 N 3.14 3.56 -0.31 4.08 1.01 -0.75 -4.79 120.40 126.35 1wfk s VAL 46 Ca 0.91 -0.44 0.26 0.00 0.00 0.00 0.00 61.98 62.71 1wfk s VAL 46 Cb -0.77 -2.61 0.29 0.00 0.00 0.00 0.00 36.38 33.28 1wfk s VAL 46 CO 0.51 0.42 1.79 1.55 0.00 0.00 0.00 175.10 179.37 1wfk h PRO 47 N 7.90 0.00 0.13 2.72 0.13 -1.92 0.75 132.00 141.71 1wfk h PRO 47 Ca -0.39 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 1wfk h PRO 47 Cb 1.17 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.33 1wfk h PRO 47 CO 0.60 0.00 -1.27 0.00 -0.23 0.00 0.00 178.00 177.10 1wfk h ARG 48 N 0.00 0.63 0.00 0.86 3.08 -1.91 -3.32 114.38 113.72 1wfk h ARG 48 Ca 0.00 -0.85 -0.21 0.00 0.07 0.00 0.00 59.98 58.99 1wfk h ARG 48 Cb 0.39 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1wfk h ARG 48 CO 0.00 1.39 -1.11 0.00 -1.07 0.00 0.00 179.97 179.18 1wfk h ALA 49 N 0.28 0.50 0.00 0.04 0.00 -1.81 -3.47 119.26 114.79 1wfk h ALA 49 Ca -0.20 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1wfk h ALA 49 Cb 1.94 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1wfk h ALA 49 CO 0.24 1.22 0.00 0.41 0.00 0.00 0.00 179.25 181.12 1wfk n GLY 50 N 1.38 0.48 3.66 0.00 0.00 -0.72 -4.85 105.19 105.13 1wfk n GLY 50 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.54 -4.25 1.61 4.13 0.25 -4.96 115.26 110.51 1wfk n ASN 51 Ca 0.00 -0.78 -0.31 0.00 1.68 0.00 0.00 54.58 55.17 1wfk n ASN 51 Cb 0.00 -4.25 -0.17 0.00 -1.54 0.00 0.00 39.78 33.82 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 -3.60 2.03 -0.86 3.41 -4.23 -1.19 -4.70 115.64 106.51 1wfk s THR 52 Ca 0.04 -1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 59.24 1wfk s THR 52 Cb -0.02 -1.73 -0.22 0.00 1.34 0.00 0.00 72.50 71.87 1wfk s THR 52 CO 0.80 0.56 1.95 1.67 -0.54 0.00 0.00 174.62 179.05 1wfk n GLN 53 N 3.09 0.59 -3.28 3.99 7.27 -1.26 -1.81 117.38 125.98 1wfk n GLN 53 Ca -0.18 -1.77 -0.24 0.00 0.07 0.00 0.00 57.00 54.88 1wfk n GLN 53 Cb 0.52 -3.50 -0.01 0.00 2.41 0.00 0.00 30.24 29.67 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 7.36 3.43 -0.21 3.69 -1.52 -1.09 -4.57 119.66 126.75 1wfk s GLN 54 Ca 0.73 -0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 53.53 1wfk s GLN 54 Cb 0.02 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.14 1wfk s GLN 54 CO 0.20 0.07 1.82 0.15 -0.25 0.00 0.00 175.29 177.28 1wfk s LYS 55 N -4.37 3.62 0.33 2.91 -0.14 -1.26 -1.62 119.74 119.20 1wfk s LYS 55 Ca 0.41 1.81 0.09 0.00 -1.36 0.00 0.00 55.97 56.93 1wfk s LYS 55 Cb -0.10 -4.15 -0.06 0.00 -1.68 0.00 0.00 37.83 31.84 1wfk s LYS 55 CO 0.37 -1.52 -0.11 0.14 -0.76 0.00 0.00 175.35 173.47 1wfk s VAL 56 N 6.06 2.20 0.60 3.17 -7.23 0.22 -4.10 120.40 121.32 1wfk s VAL 56 Ca 0.81 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 1wfk s VAL 56 Cb -0.28 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1wfk s VAL 56 CO 0.33 -0.24 1.04 0.00 -0.31 0.00 0.00 175.10 175.92 1wfk n LYS 58 N -2.26 -0.13 0.00 0.00 3.00 -1.04 -0.41 118.16 117.32 1wfk n LYS 58 Ca 0.08 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 1wfk n LYS 58 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -3.59 0.00 -0.38 1.64 7.27 -1.26 -1.26 117.38 119.81 1wfk n GLN 59 Ca 0.01 0.75 -0.03 0.00 0.07 0.00 0.00 57.00 57.80 1wfk n GLN 59 Cb 0.07 -1.25 0.01 0.00 2.41 0.00 0.00 30.24 31.48 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 -0.01 0.61 0.13 0.00 -0.00 0.46 0.37 115.15 116.70 1wfk h HIS 61 Ca 0.31 0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 60.45 1wfk h HIS 61 Cb 0.56 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 1wfk h HIS 61 CO -0.89 -0.10 -1.26 1.15 -0.00 0.00 0.00 177.93 176.84 1wfk h THR 62 N 0.23 1.16 -0.70 6.26 2.02 0.26 -3.24 112.91 118.90 1wfk h THR 62 Ca 0.72 -2.44 0.05 0.00 0.77 0.00 0.00 66.41 65.51 1wfk h THR 62 Cb 2.06 2.84 -0.05 0.00 -1.74 0.00 0.00 68.15 71.26 1wfk h THR 62 CO -0.39 0.71 0.41 0.40 0.37 0.00 0.00 175.52 177.02 1wfk h ILE 63 N -0.31 1.00 0.00 3.11 2.04 0.19 1.60 117.51 125.14 1wfk h ILE 63 Ca -0.26 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1wfk h ILE 63 Cb 1.74 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1wfk h ILE 63 CO 0.09 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1wfk n LEU 64 N -4.74 0.00 -0.02 1.44 4.77 0.10 -2.45 117.00 116.09 1wfk n LEU 64 Ca 0.09 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1wfk n LEU 64 Cb 0.16 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1wfk n LEU 64 CO 0.30 -0.13 0.18 0.35 -1.33 0.00 0.00 177.39 176.76 1wfk n THR 65 N -1.39 0.00 -0.09 -5.08 -2.24 0.33 -4.14 114.28 101.67 1wfk n THR 65 Ca 0.07 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1wfk n THR 65 Cb 0.19 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.28 0.66 -2.70 -0.78 1.85 0.52 -4.82 116.66 111.11 1wfk n ARG 66 Ca 0.00 0.22 -0.08 0.00 -1.00 0.00 0.00 57.85 57.00 1wfk n ARG 66 Cb 0.02 -1.58 0.10 0.00 -1.05 0.00 0.00 32.46 29.95 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 2.00 1.33 3.98 2.89 0.00 -1.03 -5.07 105.19 109.29 1wfk n GLY 67 Ca -0.43 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.48 5.36 0.21 1.61 0.15 -1.24 -4.97 113.70 113.35 1wfk s SER 68 Ca 0.23 -0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.61 1wfk s SER 68 Cb 0.40 -0.90 0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1wfk s SER 68 CO -0.07 -1.06 0.73 -0.94 1.20 0.00 0.00 173.24 173.09 1wfk s SER 69 N -4.40 -0.34 -0.54 5.45 1.04 -1.26 -5.03 113.70 108.62 1wfk s SER 69 Ca 0.56 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 1wfk s SER 69 Cb -0.10 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1wfk s SER 69 CO 0.38 -1.15 1.35 -1.81 0.98 0.00 0.00 173.24 172.99 1wfk s ASP 70 N -2.85 6.25 -0.63 7.02 1.01 -1.26 -4.97 116.67 121.25 1wfk s ASP 70 Ca 0.08 0.35 -0.23 0.00 0.71 0.00 0.00 52.55 53.46 1wfk s ASP 70 Cb -0.04 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.41 1wfk s ASP 70 CO -0.00 -1.59 0.95 0.20 0.21 0.00 0.00 175.17 174.94 1wfk s ASN 71 N 3.94 6.21 0.02 0.27 0.01 -1.26 -4.69 114.94 119.44 1wfk s ASN 71 Ca 0.52 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1wfk s ASN 71 Cb -0.10 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1wfk s ASN 71 CO 0.27 -1.38 0.00 0.00 -1.51 0.00 0.00 177.10 174.47 1wfk n ALA 72 N 7.63 3.00 -3.40 0.60 0.00 -1.26 -5.11 120.51 121.98 1wfk n ALA 72 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1wfk n ALA 72 Cb 0.46 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1wfk n ALA 72 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wfk s SER 73 N -5.03 -0.67 -0.36 0.00 1.04 -1.26 -5.12 113.70 102.30 1wfk s SER 73 Ca 0.00 0.85 -0.33 0.00 0.48 0.00 0.00 55.95 56.95 1wfk s SER 73 Cb 0.00 1.73 -0.14 0.00 0.10 0.00 0.00 66.02 67.71 1wfk s SER 73 CO 0.00 -0.13 1.19 1.17 0.98 0.00 0.00 173.24 176.45 1wfk n LYS 74 N 5.09 0.00 -4.16 4.02 3.00 -1.26 -4.89 118.16 119.95 1wfk n LYS 74 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.88 1wfk n LYS 74 Cb 0.52 -1.07 -0.12 0.00 0.00 0.00 0.00 35.03 34.36 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 2.41 3.08 -0.11 5.64 -0.00 -1.26 -5.10 118.94 123.60 1wfk s TRP 75 Ca 0.76 -0.27 0.02 0.00 -0.00 0.00 0.00 56.10 56.61 1wfk s TRP 75 Cb -1.07 -2.04 -0.01 0.00 -0.00 0.00 0.00 33.47 30.34 1wfk s TRP 75 CO 0.57 -0.08 -0.17 -1.54 -0.00 0.00 0.00 176.95 175.74 1wfk s SER 76 N 0.65 3.73 1.00 5.86 1.04 -1.26 -5.13 113.70 119.59 1wfk s SER 76 Ca -0.00 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1wfk s SER 76 Cb -0.14 -1.44 0.19 0.00 0.10 0.00 0.00 66.02 64.73 1wfk s SER 76 CO 0.02 0.19 1.09 -2.16 0.98 0.00 0.00 173.24 173.36 1wfk s PRO 77 N 0.21 0.45 0.70 4.02 0.04 -1.26 -5.02 135.00 134.13 1wfk s PRO 77 Ca -0.10 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 61.33 1wfk s PRO 77 Cb -0.16 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1wfk s PRO 77 CO 0.06 -2.72 1.10 -1.25 0.04 0.00 0.00 177.00 174.23 1wfk s PRO 78 N -4.96 2.61 0.51 0.56 0.04 -1.26 -5.00 135.00 127.50 1wfk s PRO 78 Ca 0.65 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1wfk s PRO 78 Cb -0.19 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1wfk s PRO 78 CO 0.58 -1.39 1.18 -0.65 0.04 0.00 0.00 177.00 176.75 1wfk s GLN 79 N -4.39 3.45 -1.24 4.56 -0.21 -1.26 -3.54 119.66 117.03 1wfk s GLN 79 Ca 0.65 1.77 -0.01 0.00 0.02 0.00 0.00 55.36 57.78 1wfk s GLN 79 Cb -0.19 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 1wfk s GLN 79 CO 0.47 -0.80 0.84 0.09 -2.12 0.00 0.00 175.29 173.76 1wfk n ASN 80 N -0.97 -2.03 -0.12 5.90 3.02 -1.26 -4.91 115.26 114.90 1wfk n ASN 80 Ca 0.10 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.80 1wfk n ASN 80 Cb 0.49 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 1wfk n ASN 80 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wfk h TYR 81 N -1.83 0.73 -2.08 3.10 5.03 -1.97 -3.45 116.97 116.52 1wfk h TYR 81 Ca -0.60 -0.16 -0.46 0.00 2.58 0.00 0.00 58.73 60.08 1wfk h TYR 81 Cb 1.35 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 1wfk h TYR 81 CO 0.44 0.82 -0.42 -1.59 -1.32 0.00 0.00 178.16 176.09 1wfk s LYS 82 N -4.77 3.26 -0.59 1.82 0.00 -1.26 -5.07 119.74 113.13 1wfk s LYS 82 Ca -0.13 -0.89 -0.19 0.00 0.00 0.00 0.00 55.97 54.76 1wfk s LYS 82 Cb 0.09 -2.81 0.10 0.00 0.00 0.00 0.00 37.83 35.21 1wfk s LYS 82 CO 0.80 0.32 0.72 0.45 0.00 0.00 0.00 175.35 177.64 1wfk s SER 83 N -4.01 6.18 -0.01 0.03 0.15 -1.26 -5.00 113.70 109.78 1wfk s SER 83 Ca 0.37 -1.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.35 1wfk s SER 83 Cb -0.09 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 1wfk s SER 83 CO 0.29 -1.13 0.63 -0.83 1.20 0.00 0.00 173.24 173.40 1wfk s GLY 84 N 3.61 -0.54 0.27 9.45 0.00 -1.26 -5.05 107.32 113.79 1wfk s GLY 84 Ca 0.12 1.07 0.04 0.00 0.00 0.00 0.00 44.72 45.96 1wfk s GLY 84 CO 0.07 0.73 1.64 -0.56 0.00 0.00 0.00 173.10 174.98 1wfk h PRO 85 N 2.89 0.31 -3.28 2.90 0.13 -2.07 -3.46 132.00 129.42 1wfk h PRO 85 Ca -0.29 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1wfk h PRO 85 Cb 1.17 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1wfk h PRO 85 CO 0.39 0.71 -0.14 -1.54 -0.23 0.00 0.00 178.00 177.19 1wfk s SER 86 N -6.88 -0.20 0.38 1.44 1.04 -1.26 -5.18 113.70 103.05 1wfk s SER 86 Ca -0.05 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1wfk s SER 86 Cb 0.13 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1wfk s SER 86 CO 0.79 -0.73 0.55 -0.94 0.98 0.00 0.00 173.24 173.89 1wfk s SER 87 N -2.39 5.91 0.00 7.02 1.04 -1.26 -5.16 113.70 118.86 1wfk s SER 87 Ca -0.01 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1wfk s SER 87 Cb 0.01 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1wfk s SER 87 CO -0.07 -0.54 0.39 0.61 0.98 0.00 0.00 173.24 174.61