#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 5.69 0.92 1.61 0.01 -1.26 -5.01 113.70 115.66 1wfk s SER 2 Ca 0.00 1.02 -0.17 0.00 1.31 0.00 0.00 55.95 58.11 1wfk s SER 2 Cb 0.00 -1.96 -0.14 0.00 0.21 0.00 0.00 66.02 64.12 1wfk s SER 2 CO 0.00 -1.11 -0.66 -1.54 0.41 0.00 0.00 173.24 170.34 1wfk n SER 3 N -2.76 -5.53 0.00 2.44 3.41 -1.26 -4.98 113.62 104.94 1wfk n SER 3 Ca 0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1wfk n SER 3 Cb 0.57 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1wfk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfk n GLY 4 N 3.27 4.31 3.69 5.00 0.00 -1.26 -5.11 105.19 115.09 1wfk n GLY 4 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 1.21 7.23 0.01 1.61 0.01 -1.26 -5.04 113.70 117.47 1wfk s SER 5 Ca 0.00 1.51 0.04 0.00 1.31 0.00 0.00 55.95 58.81 1wfk s SER 5 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1wfk s SER 5 CO 0.00 -0.44 -0.12 -0.55 0.41 0.00 0.00 173.24 172.54 1wfk s SER 6 N 1.09 1.37 0.00 2.44 0.15 -1.26 -5.06 113.70 112.43 1wfk s SER 6 Ca 0.48 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1wfk s SER 6 Cb -0.18 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1wfk s SER 6 CO 0.18 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1wfk n GLY 7 N 2.44 -2.96 3.39 9.45 0.00 -1.26 -4.88 105.19 111.37 1wfk n GLY 7 Ca -0.16 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 1wfk n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wfk s MET 8 N -3.67 3.96 0.45 1.61 1.00 -1.26 -4.99 119.30 116.41 1wfk s MET 8 Ca 0.00 -2.65 0.03 0.00 0.00 0.00 0.00 55.69 53.06 1wfk s MET 8 Cb 0.00 -4.75 -0.03 0.00 0.00 0.00 0.00 34.83 30.06 1wfk s MET 8 CO 0.00 -1.50 0.05 -1.21 0.00 0.00 0.00 175.02 172.36 1wfk s GLU 9 N 0.50 2.04 -0.46 2.03 0.41 -1.26 -5.05 118.70 116.91 1wfk s GLU 9 Ca 0.32 -2.26 -0.43 0.00 -0.41 0.00 0.00 54.97 52.19 1wfk s GLU 9 Cb -0.07 -1.21 -0.18 0.00 -1.78 0.00 0.00 34.13 30.90 1wfk s GLU 9 CO -0.06 -0.35 2.00 0.43 -0.49 0.00 0.00 175.26 176.80 1wfk n SER 10 N -1.20 1.21 -3.86 -0.19 7.64 -1.26 -4.87 113.62 111.09 1wfk n SER 10 Ca -0.12 0.78 -0.19 0.00 1.01 0.00 0.00 58.87 60.35 1wfk n SER 10 Cb 0.66 -0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 62.88 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 6.71 1.01 -3.52 1.43 1.74 -1.26 -2.57 116.66 120.19 1wfk n ARG 11 Ca 0.45 -2.34 -0.37 0.00 -0.77 0.00 0.00 57.85 54.82 1wfk n ARG 11 Cb 0.01 0.35 -0.06 0.00 -1.02 0.00 0.00 32.46 31.74 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 1.62 1.11 0.00 0.00 4.19 0.16 -1.67 117.16 122.56 1wfk n TYR 13 Ca -0.13 -0.89 0.00 0.00 3.31 0.00 0.00 57.90 60.20 1wfk n TYR 13 Cb 0.52 -0.47 0.00 0.00 0.49 0.00 0.00 39.34 39.88 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 -0.06 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.93 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 -0.62 -0.33 -2.68 0.00 0.00 -0.67 -4.95 120.51 111.26 1wfk n ALA 16 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1wfk n ALA 16 Cb 0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.59 4.86 0.21 0.00 0.11 -1.26 -4.53 120.40 117.20 1wfk s VAL 17 Ca 0.00 1.76 -0.31 0.00 -2.93 0.00 0.00 61.98 60.49 1wfk s VAL 17 Cb 0.00 -4.19 -0.11 0.00 -1.53 0.00 0.00 36.38 30.55 1wfk s VAL 17 CO 0.00 0.03 1.64 -0.75 -3.33 0.00 0.00 175.10 172.69 1wfk s LYS 18 N 2.03 4.16 -0.38 1.54 2.20 -1.26 -2.37 119.74 125.66 1wfk s LYS 18 Ca 0.41 2.50 -0.29 0.00 -0.36 0.00 0.00 55.97 58.24 1wfk s LYS 18 Cb -0.17 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1wfk s LYS 18 CO 0.14 -0.67 1.34 -0.06 -0.36 0.00 0.00 175.35 175.75 1wfk s PHE 19 N 0.93 2.55 0.28 4.03 0.08 -1.06 -4.79 117.98 120.00 1wfk s PHE 19 Ca 0.71 0.75 0.03 0.00 0.12 0.00 0.00 56.93 58.54 1wfk s PHE 19 Cb -0.47 -4.18 -0.06 0.00 -0.57 0.00 0.00 43.02 37.75 1wfk s PHE 19 CO 0.35 -1.81 0.05 0.95 -0.10 0.00 0.00 175.22 174.66 1wfk s THR 20 N 4.94 0.95 0.17 0.64 -4.23 0.23 -4.94 115.64 113.40 1wfk s THR 20 Ca 0.58 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1wfk s THR 20 Cb -0.14 -2.63 0.25 0.00 1.34 0.00 0.00 72.50 71.32 1wfk s THR 20 CO 0.29 -0.09 0.98 0.18 -0.54 0.00 0.00 174.62 175.44 1wfk n LEU 21 N -0.55 -0.28 -0.08 4.79 4.32 -1.26 0.19 117.00 124.13 1wfk n LEU 21 Ca -0.02 1.08 -0.12 0.00 -0.02 0.00 0.00 56.01 56.93 1wfk n LEU 21 Cb 0.66 -0.30 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 1wfk n LEU 21 CO 0.39 -1.02 0.67 -0.26 -1.22 0.00 0.00 177.39 175.96 1wfk h PHE 22 N 0.00 0.57 -3.19 -1.77 -1.00 -1.97 -3.39 116.94 106.20 1wfk h PHE 22 Ca 0.28 -0.14 -0.75 0.00 2.81 0.00 0.00 57.97 60.17 1wfk h PHE 22 Cb 0.43 -0.13 -0.25 0.00 3.61 0.00 0.00 35.95 39.60 1wfk h PHE 22 CO -0.50 0.76 -0.29 0.21 -1.61 0.00 0.00 178.31 176.87 1wfk s LYS 23 N -4.62 2.83 0.93 1.51 2.47 0.51 -5.07 119.74 118.30 1wfk s LYS 23 Ca -0.13 -1.67 -0.12 0.00 -1.56 0.00 0.00 55.97 52.49 1wfk s LYS 23 Cb 0.07 -4.15 0.15 0.00 -1.46 0.00 0.00 37.83 32.44 1wfk s LYS 23 CO 0.77 -1.24 1.10 0.15 0.16 0.00 0.00 175.35 176.29 1wfk s LYS 24 N 1.53 0.98 -0.17 4.03 -0.14 -1.20 0.78 119.74 125.54 1wfk s LYS 24 Ca 0.04 0.63 -0.05 0.00 -1.36 0.00 0.00 55.97 55.22 1wfk s LYS 24 Cb -0.28 -1.79 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1wfk s LYS 24 CO 0.02 -2.38 0.00 -2.00 -0.76 0.00 0.00 175.35 170.24 1wfk s GLU 25 N -5.00 3.76 0.30 1.68 2.12 -1.26 -4.02 118.70 116.28 1wfk s GLU 25 Ca 0.64 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 55.61 1wfk s GLU 25 Cb -0.18 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1wfk s GLU 25 CO 0.57 0.20 -0.08 0.71 -0.54 0.00 0.00 175.26 176.11 1wfk s TYR 26 N 0.52 2.47 0.04 5.30 1.51 0.22 -4.94 117.35 122.47 1wfk s TYR 26 Ca -0.01 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1wfk s TYR 26 Cb -0.14 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1wfk s TYR 26 CO 0.02 0.62 -0.15 0.20 -1.11 0.00 0.00 175.55 175.12 1wfk s GLY 27 N -3.62 0.85 0.43 0.71 0.00 -1.26 -0.44 107.32 104.00 1wfk s GLY 27 Ca 0.32 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1wfk s GLY 27 CO 0.17 -0.86 0.64 0.00 0.00 0.00 0.00 173.10 173.06 1wfk n LYS 29 N -2.01 0.41 0.00 0.00 4.76 -1.26 -3.90 118.16 116.16 1wfk n LYS 29 Ca 0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1wfk n LYS 29 Cb 0.58 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 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 -3.04 0.00 0.00 4.39 5.15 -1.26 -4.13 115.26 116.37 1wfk n ASN 30 Ca -0.30 0.61 -0.08 0.00 -0.60 0.00 0.00 54.58 54.22 1wfk n ASN 30 Cb 0.81 -0.30 0.08 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 0.15 0.71 3.60 0.00 0.00 -1.25 -5.06 105.19 103.33 1wfk n GLY 32 Ca -0.03 -0.57 -0.25 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 -4.66 1.99 -0.10 1.61 0.52 -1.26 -4.83 118.95 112.22 1wfk s ARG 33 Ca 0.01 -1.83 -0.24 0.00 -0.52 0.00 0.00 55.73 53.16 1wfk s ARG 33 Cb -0.01 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1wfk s ARG 33 CO 0.03 0.13 0.72 0.00 0.02 0.00 0.00 175.30 176.20 1wfk s ALA 34 N -2.56 3.38 0.11 2.13 0.00 -1.26 -1.33 121.76 122.23 1wfk s ALA 34 Ca 0.34 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1wfk s ALA 34 Cb 0.01 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1wfk s ALA 34 CO 0.18 -0.25 -0.06 -0.06 0.00 0.00 0.00 175.76 175.57 1wfk s PHE 35 N 1.16 0.94 -0.02 0.00 0.08 0.42 0.37 117.98 120.92 1wfk s PHE 35 Ca 0.37 -0.91 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 1wfk s PHE 35 Cb -0.17 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1wfk s PHE 35 CO 0.16 -0.14 0.35 0.00 -0.10 0.00 0.00 175.22 175.49 1wfk n ASN 37 N 1.75 0.14 -0.01 0.00 5.15 -1.26 0.23 115.26 121.27 1wfk n ASN 37 Ca -0.15 0.83 -0.12 0.00 -0.60 0.00 0.00 54.58 54.54 1wfk n ASN 37 Cb 0.53 -0.41 -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 0.14 1.36 8.20 0.00 -1.92 -3.16 103.07 107.69 1wfk h GLY 38 Ca 0.49 -0.08 -0.32 0.00 0.00 0.00 0.00 47.33 47.43 1wfk h GLY 38 CO -0.31 0.07 -1.38 0.00 0.00 0.00 0.00 176.54 174.92 1wfk n LEU 40 N -3.68 7.36 -0.94 0.00 7.94 0.95 -2.59 117.00 126.03 1wfk n LEU 40 Ca -0.14 -4.41 -0.00 0.00 -1.11 0.00 0.00 56.01 50.35 1wfk n LEU 40 Cb 1.07 -1.35 0.20 0.00 0.53 0.00 0.00 43.42 43.87 1wfk n LEU 40 CO 0.59 1.92 0.57 -1.54 -1.11 0.00 0.00 177.39 177.82 1wfk n SER 41 N 1.71 2.21 -4.37 1.96 3.41 -1.19 -4.72 113.62 112.63 1wfk n SER 41 Ca 0.58 -3.81 -0.19 0.00 -0.26 0.00 0.00 58.87 55.19 1wfk n SER 41 Cb 0.41 -0.59 -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 -3.24 1.75 0.03 7.33 0.40 -1.16 -5.04 117.98 118.06 1wfk s PHE 42 Ca 0.42 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1wfk s PHE 42 Cb 0.39 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.94 1wfk s PHE 42 CO -0.03 0.20 -0.06 -1.12 0.70 0.00 0.00 175.22 174.91 1wfk s SER 43 N -3.36 0.69 -0.23 1.36 0.01 -1.26 0.09 113.70 111.00 1wfk s SER 43 Ca 0.27 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 1wfk s SER 43 Cb 0.03 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.45 1wfk s SER 43 CO 0.09 -0.21 1.14 0.00 0.41 0.00 0.00 173.24 174.67 1wfk s ALA 44 N -1.30 -2.02 0.04 1.44 0.00 -0.75 -4.86 121.76 114.31 1wfk s ALA 44 Ca -0.10 1.73 -0.33 0.00 0.00 0.00 0.00 51.96 53.25 1wfk s ALA 44 Cb -0.09 -1.18 -0.12 0.00 0.00 0.00 0.00 23.12 21.73 1wfk s ALA 44 CO 0.00 -0.25 1.82 1.28 0.00 0.00 0.00 175.76 178.61 1wfk n LEU 45 N 1.12 3.64 -4.53 0.00 4.77 -1.26 -2.62 117.00 118.13 1wfk n LEU 45 Ca -0.09 0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 56.53 1wfk n LEU 45 Cb 0.58 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.10 1wfk n LEU 45 CO 0.09 -0.00 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.19 1wfk s VAL 46 N 3.05 4.51 -2.00 4.08 1.01 -0.66 -4.78 120.40 125.61 1wfk s VAL 46 Ca 0.86 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.84 1wfk s VAL 46 Cb -0.59 -3.07 0.32 0.00 0.00 0.00 0.00 36.38 33.04 1wfk s VAL 46 CO 0.43 0.39 1.11 -0.81 0.00 0.00 0.00 175.10 176.22 1wfk n PRO 47 N 4.27 0.49 -0.08 2.72 -0.04 -1.26 0.55 135.00 141.65 1wfk n PRO 47 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1wfk n PRO 47 Cb 0.52 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1wfk n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfk n ARG 48 N -0.86 1.51 -1.20 0.54 1.74 -1.26 -4.46 116.66 112.66 1wfk n ARG 48 Ca 0.08 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1wfk n ARG 48 Cb 0.04 -1.39 0.17 0.00 -1.02 0.00 0.00 32.46 30.26 1wfk n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n ALA 49 N -2.57 5.53 -2.69 7.54 0.00 -0.97 -4.87 120.51 122.48 1wfk n ALA 49 Ca -0.25 -3.02 -0.06 0.00 0.00 0.00 0.00 53.44 50.10 1wfk n ALA 49 Cb 0.99 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 19.09 1wfk n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfk n GLY 50 N -1.11 0.42 3.97 0.00 0.00 -1.21 -3.74 105.19 103.52 1wfk n GLY 50 Ca 0.57 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 -1.37 -4.53 1.61 4.13 0.19 -4.95 115.26 109.95 1wfk n ASN 51 Ca -0.03 -1.08 -0.33 0.00 1.68 0.00 0.00 54.58 54.82 1wfk n ASN 51 Cb 0.53 -2.75 -0.12 0.00 -1.54 0.00 0.00 39.78 35.89 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 -3.90 3.43 -1.11 3.41 -4.23 -1.19 -4.62 115.64 107.43 1wfk s THR 52 Ca 0.13 -0.58 -0.24 0.00 -1.18 0.00 0.00 61.69 59.82 1wfk s THR 52 Cb -0.06 -2.39 -0.14 0.00 1.34 0.00 0.00 72.50 71.26 1wfk s THR 52 CO 0.91 0.59 2.02 -1.58 -0.54 0.00 0.00 174.62 176.02 1wfk s GLN 53 N -0.67 1.96 0.28 3.99 0.74 -1.26 -1.65 119.66 123.05 1wfk s GLN 53 Ca 0.10 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.79 1wfk s GLN 53 Cb -0.11 -5.11 -0.03 0.00 1.10 0.00 0.00 33.01 28.86 1wfk s GLN 53 CO 0.01 -4.55 0.41 -0.65 -0.55 0.00 0.00 175.29 169.97 1wfk s GLN 54 N 7.35 3.37 -0.20 1.67 -1.52 -1.08 -4.65 119.66 124.60 1wfk s GLN 54 Ca 0.74 -0.75 -0.29 0.00 -1.95 0.00 0.00 55.36 53.12 1wfk s GLN 54 Cb -0.03 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 1wfk s GLN 54 CO 0.14 0.30 1.80 0.15 -0.25 0.00 0.00 175.29 177.43 1wfk s LYS 55 N -4.08 3.64 0.27 2.91 -0.14 -1.26 -1.82 119.74 119.27 1wfk s LYS 55 Ca 0.37 1.81 0.12 0.00 -1.36 0.00 0.00 55.97 56.91 1wfk s LYS 55 Cb -0.09 -4.14 -0.05 0.00 -1.68 0.00 0.00 37.83 31.87 1wfk s LYS 55 CO 0.31 -1.49 -0.20 0.14 -0.76 0.00 0.00 175.35 173.35 1wfk s VAL 56 N 5.94 2.41 0.61 3.17 -7.23 0.11 -4.07 120.40 121.35 1wfk s VAL 56 Ca 0.80 -2.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1wfk s VAL 56 Cb -0.28 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1wfk s VAL 56 CO 0.33 -0.41 1.08 0.00 -0.31 0.00 0.00 175.10 175.79 1wfk n LYS 58 N -2.14 -0.15 0.00 0.00 3.00 -1.07 -0.62 118.16 117.18 1wfk n LYS 58 Ca 0.09 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 1wfk n LYS 58 Cb 0.52 -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 -0.39 1.64 7.27 -1.26 -1.36 117.38 119.55 1wfk n GLN 59 Ca 0.01 0.73 -0.04 0.00 0.07 0.00 0.00 57.00 57.76 1wfk n GLN 59 Cb 0.09 -1.21 -0.00 0.00 2.41 0.00 0.00 30.24 31.52 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 0.37 0.12 0.00 -0.00 0.34 0.42 115.15 116.39 1wfk h HIS 61 Ca 0.29 0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.33 1wfk h HIS 61 Cb 0.54 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1wfk h HIS 61 CO -0.91 -0.08 -1.83 1.15 -0.00 0.00 0.00 177.93 176.26 1wfk h THR 62 N 0.12 0.80 -0.09 6.26 2.02 0.27 -3.19 112.91 119.11 1wfk h THR 62 Ca 0.74 -2.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1wfk h THR 62 Cb 2.48 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 71.48 1wfk h THR 62 CO -0.25 0.83 0.05 0.40 0.37 0.00 0.00 175.52 176.92 1wfk h ILE 63 N 0.07 1.06 -0.32 3.11 2.04 0.32 0.78 117.51 124.58 1wfk h ILE 63 Ca -0.36 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1wfk h ILE 63 Cb 2.05 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1wfk h ILE 63 CO 0.12 0.05 0.13 -0.07 0.00 0.00 0.00 178.15 178.38 1wfk h LEU 64 N 0.08 0.43 -0.93 1.44 3.38 -0.78 -1.51 115.31 117.42 1wfk h LEU 64 Ca 0.03 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1wfk h LEU 64 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wfk h LEU 64 CO -0.01 0.48 -0.44 0.71 0.09 0.00 0.00 178.44 179.27 1wfk h THR 65 N 0.36 1.32 0.43 0.22 1.35 -1.51 -3.30 112.91 111.78 1wfk h THR 65 Ca 0.11 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 1wfk h THR 65 Cb 0.18 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1wfk h THR 65 CO -0.01 0.47 -0.20 0.03 -0.25 0.00 0.00 175.52 175.56 1wfk h ARG 66 N 0.16 -0.55 0.00 4.72 3.08 0.88 -3.48 114.38 119.19 1wfk h ARG 66 Ca 0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1wfk h ARG 66 Cb 0.85 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1wfk h ARG 66 CO 0.07 -0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.01 1wfk n GLY 67 N -0.44 3.05 3.43 0.04 0.00 -0.59 -5.08 105.19 105.60 1wfk n GLY 67 Ca -0.07 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 0.65 -0.55 0.65 1.61 0.15 -1.26 -4.77 113.70 110.18 1wfk s SER 68 Ca 0.00 1.02 -0.11 0.00 0.70 0.00 0.00 55.95 57.55 1wfk s SER 68 Cb 0.00 1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 65.32 1wfk s SER 68 CO 0.00 -0.22 1.04 -0.94 1.20 0.00 0.00 173.24 174.32 1wfk s SER 69 N 0.13 5.85 0.20 5.45 1.04 -1.26 -5.08 113.70 120.04 1wfk s SER 69 Ca -0.01 1.53 0.08 0.00 0.48 0.00 0.00 55.95 58.02 1wfk s SER 69 Cb -0.04 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1wfk s SER 69 CO 0.01 -1.12 0.02 -1.81 0.98 0.00 0.00 173.24 171.32 1wfk s ASP 70 N -3.90 4.80 0.38 7.02 1.11 -1.26 -5.13 116.67 119.69 1wfk s ASP 70 Ca 0.57 -0.43 -0.08 0.00 0.18 0.00 0.00 52.55 52.79 1wfk s ASP 70 Cb -0.12 -1.02 -0.06 0.00 1.07 0.00 0.00 42.92 42.79 1wfk s ASP 70 CO 0.53 0.06 0.72 0.20 1.18 0.00 0.00 175.17 177.85 1wfk s ASN 71 N -3.16 6.47 0.04 0.27 -0.87 -1.26 -5.08 114.94 111.35 1wfk s ASN 71 Ca 0.29 1.00 -0.27 0.00 -1.57 0.00 0.00 52.86 52.30 1wfk s ASN 71 Cb -0.09 -2.27 0.10 0.00 -0.02 0.00 0.00 41.25 38.97 1wfk s ASN 71 CO 0.19 -0.37 1.20 0.00 -2.57 0.00 0.00 177.10 175.56 1wfk s ALA 72 N -2.34 -2.13 -0.37 0.60 0.00 -1.26 -5.10 121.76 111.15 1wfk s ALA 72 Ca 0.49 0.15 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 1wfk s ALA 72 Cb -0.10 0.68 -0.14 0.00 0.00 0.00 0.00 23.12 23.56 1wfk s ALA 72 CO 0.33 -1.09 1.41 0.45 0.00 0.00 0.00 175.76 176.86 1wfk n SER 73 N -0.88 0.70 -4.81 0.00 2.88 -1.26 -4.91 113.62 105.34 1wfk n SER 73 Ca -0.02 0.66 -0.27 0.00 -1.33 0.00 0.00 58.87 57.90 1wfk n SER 73 Cb 0.60 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 1wfk n SER 73 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wfk s LYS 74 N 3.50 2.23 -0.03 -1.46 -0.14 -1.26 -5.15 119.74 117.44 1wfk s LYS 74 Ca 0.84 -2.03 -0.01 0.00 -1.36 0.00 0.00 55.97 53.41 1wfk s LYS 74 Cb -1.11 -1.93 0.03 0.00 -1.68 0.00 0.00 37.83 33.15 1wfk s LYS 74 CO 0.54 -0.36 0.04 1.67 -0.76 0.00 0.00 175.35 176.47 1wfk s TRP 75 N -2.73 0.07 0.25 3.18 1.48 -1.26 -5.14 118.94 114.78 1wfk s TRP 75 Ca 0.30 0.17 -0.27 0.00 -1.06 0.00 0.00 56.10 55.24 1wfk s TRP 75 Cb 0.01 -0.35 -0.09 0.00 -1.16 0.00 0.00 33.47 31.88 1wfk s TRP 75 CO 0.18 -0.13 0.89 0.45 -4.06 0.00 0.00 176.95 174.27 1wfk s SER 76 N 1.50 7.45 0.73 -2.66 0.15 -1.26 -5.05 113.70 114.57 1wfk s SER 76 Ca -0.04 1.81 -0.12 0.00 0.70 0.00 0.00 55.95 58.30 1wfk s SER 76 Cb -0.13 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1wfk s SER 76 CO -0.03 0.09 1.10 -2.16 1.20 0.00 0.00 173.24 173.44 1wfk s PRO 77 N -1.50 2.47 0.89 5.44 0.04 -1.26 -5.03 135.00 136.05 1wfk s PRO 77 Ca 0.43 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1wfk s PRO 77 Cb -0.22 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1wfk s PRO 77 CO 0.27 -1.49 1.09 -1.25 0.04 0.00 0.00 177.00 175.67 1wfk s PRO 78 N -4.58 1.27 0.26 0.56 0.04 -1.26 -4.85 135.00 126.44 1wfk s PRO 78 Ca 0.63 0.82 0.14 0.00 0.04 0.00 0.00 61.00 62.63 1wfk s PRO 78 Cb -0.19 -1.81 0.92 0.00 0.04 0.00 0.00 34.50 33.47 1wfk s PRO 78 CO 0.50 -2.23 1.11 1.04 0.04 0.00 0.00 177.00 177.46 1wfk n GLN 79 N -3.88 -0.04 -3.15 4.56 1.13 -1.26 -3.99 117.38 110.75 1wfk n GLN 79 Ca 0.07 0.98 -0.39 0.00 -1.94 0.00 0.00 57.00 55.72 1wfk n GLN 79 Cb 0.55 -1.74 -0.05 0.00 0.11 0.00 0.00 30.24 29.11 1wfk n GLN 79 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1wfk s ASN 80 N -4.69 6.90 0.03 1.08 3.84 -1.26 -5.03 114.94 115.81 1wfk s ASN 80 Ca -0.07 1.08 -0.29 0.00 0.21 0.00 0.00 52.86 53.79 1wfk s ASN 80 Cb 0.24 -2.37 0.10 0.00 -0.55 0.00 0.00 41.25 38.67 1wfk s ASN 80 CO 0.55 -0.04 1.14 -0.72 -2.79 0.00 0.00 177.10 175.23 1wfk s TYR 81 N 0.58 -0.10 -0.66 0.43 -0.85 -1.26 -4.99 117.35 110.50 1wfk s TYR 81 Ca 0.33 -0.07 -0.10 0.00 -0.52 0.00 0.00 57.07 56.71 1wfk s TYR 81 Cb -0.17 0.58 0.17 0.00 0.38 0.00 0.00 41.96 42.92 1wfk s TYR 81 CO 0.16 -0.48 0.55 0.21 -1.52 0.00 0.00 175.55 174.47 1wfk s LYS 82 N -2.77 2.99 0.14 -3.49 2.47 -1.26 -4.94 119.74 112.88 1wfk s LYS 82 Ca 0.12 -2.25 -0.22 0.00 -1.56 0.00 0.00 55.97 52.07 1wfk s LYS 82 Cb 0.02 -4.10 0.02 0.00 -1.46 0.00 0.00 37.83 32.30 1wfk s LYS 82 CO -0.02 -1.24 1.65 1.03 0.16 0.00 0.00 175.35 176.93 1wfk h SER 83 N 7.83 -0.59 -3.58 1.43 0.87 -2.01 -3.48 113.55 114.02 1wfk h SER 83 Ca -0.04 0.11 0.27 0.00 -1.23 0.00 0.00 61.79 60.90 1wfk h SER 83 Cb 1.03 0.29 -0.09 0.00 -0.44 0.00 0.00 62.40 63.19 1wfk h SER 83 CO 0.79 -0.23 -0.56 0.61 -0.53 0.00 0.00 176.83 176.92 1wfk n GLY 84 N -1.34 -2.22 3.75 5.77 0.00 -1.26 -4.89 105.19 105.00 1wfk n GLY 84 Ca -0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.58 1.94 0.06 1.61 0.04 -1.26 -5.07 135.00 129.74 1wfk s PRO 85 Ca 0.00 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.19 1wfk s PRO 85 Cb 0.00 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wfk s PRO 85 CO 0.00 -1.83 -0.24 0.45 0.04 0.00 0.00 177.00 175.42 1wfk s SER 86 N -3.40 2.86 0.12 6.66 0.15 -1.26 -5.06 113.70 113.77 1wfk s SER 86 Ca 0.62 -0.60 -0.33 0.00 0.70 0.00 0.00 55.95 56.34 1wfk s SER 86 Cb -0.17 -0.23 -0.13 0.00 -1.71 0.00 0.00 66.02 63.78 1wfk s SER 86 CO 0.56 0.19 1.54 -1.28 1.20 0.00 0.00 173.24 175.45 1wfk h SER 87 N 4.60 -1.70 0.00 5.45 0.87 -1.94 -3.54 113.55 117.30 1wfk h SER 87 Ca -0.46 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1wfk h SER 87 Cb 1.16 0.67 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1wfk h SER 87 CO 0.43 -0.47 0.00 0.61 -0.53 0.00 0.00 176.83 176.87