#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 2.39 0.00 1.61 0.15 -1.26 -5.00 113.70 111.59 1wfk s SER 2 Ca 0.00 -0.41 0.22 0.00 0.70 0.00 0.00 55.95 56.46 1wfk s SER 2 Cb 0.00 -0.96 -0.14 0.00 -1.71 0.00 0.00 66.02 63.22 1wfk s SER 2 CO 0.00 0.12 0.89 -1.54 1.20 0.00 0.00 173.24 173.91 1wfk n SER 3 N 3.49 0.70 -1.19 5.45 3.41 -1.26 -5.05 113.62 119.16 1wfk n SER 3 Ca -0.20 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1wfk n SER 3 Cb 0.52 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 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 1.43 -2.29 3.81 5.00 0.00 -1.26 -5.09 105.19 106.78 1wfk n GLY 4 Ca 0.02 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 5.50 -0.44 1.61 0.01 -1.26 -5.06 113.70 114.06 1wfk s SER 5 Ca 0.00 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1wfk s SER 5 Cb 0.00 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.84 1wfk s SER 5 CO 0.00 -0.01 1.42 -0.55 0.41 0.00 0.00 173.24 174.51 1wfk s SER 6 N -3.63 6.29 0.00 2.44 0.15 -1.26 -3.95 113.70 113.73 1wfk s SER 6 Ca 0.32 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1wfk s SER 6 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wfk s SER 6 CO 0.24 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1wfk n GLY 7 N 5.12 0.68 2.44 9.45 0.00 -1.26 -5.07 105.19 116.55 1wfk n GLY 7 Ca 0.16 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1wfk n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfk n MET 8 N 0.00 2.66 -3.31 1.61 0.00 -1.25 -5.08 117.12 111.74 1wfk n MET 8 Ca 0.00 -3.85 -0.19 0.00 0.00 0.00 0.00 57.70 53.66 1wfk n MET 8 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 33.22 31.28 1wfk n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wfk s GLU 9 N -3.68 2.64 -0.47 0.03 2.02 -1.26 -4.99 118.70 112.99 1wfk s GLU 9 Ca 0.39 -1.43 -0.42 0.00 0.02 0.00 0.00 54.97 53.53 1wfk s GLU 9 Cb 0.37 -2.55 -0.18 0.00 0.10 0.00 0.00 34.13 31.87 1wfk s GLU 9 CO -0.00 -0.27 1.87 -1.13 0.02 0.00 0.00 175.26 175.75 1wfk n SER 10 N -1.71 0.84 -3.59 -0.19 3.41 -1.26 -4.86 113.62 106.27 1wfk n SER 10 Ca 0.06 0.79 -0.16 0.00 -0.26 0.00 0.00 58.87 59.30 1wfk n SER 10 Cb 0.61 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 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 6.08 1.12 -3.46 4.33 1.74 -1.26 -2.56 116.66 122.65 1wfk n ARG 11 Ca 0.45 -2.01 -0.36 0.00 -0.77 0.00 0.00 57.85 55.16 1wfk n ARG 11 Cb -0.04 0.33 -0.06 0.00 -1.02 0.00 0.00 32.46 31.67 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 1.05 1.47 0.00 0.00 4.19 0.11 -2.04 117.16 121.93 1wfk n TYR 13 Ca -0.08 -1.00 0.00 0.00 3.31 0.00 0.00 57.90 60.13 1wfk n TYR 13 Cb 0.52 -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 -0.19 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.81 1wfk n GLY 14 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.92 -0.24 -2.23 0.00 0.00 -0.87 -4.96 120.51 111.30 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 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.42 4.58 -0.02 0.00 0.11 -1.26 -4.54 120.40 116.85 1wfk s VAL 17 Ca 0.00 1.65 -0.30 0.00 -2.93 0.00 0.00 61.98 60.40 1wfk s VAL 17 Cb 0.00 -4.12 -0.05 0.00 -1.53 0.00 0.00 36.38 30.68 1wfk s VAL 17 CO 0.00 0.43 1.37 -0.75 -3.33 0.00 0.00 175.10 172.82 1wfk s LYS 18 N -0.53 4.29 -0.39 1.54 2.20 -1.26 -1.07 119.74 124.52 1wfk s LYS 18 Ca 0.37 1.90 -0.28 0.00 -0.36 0.00 0.00 55.97 57.61 1wfk s LYS 18 Cb -0.22 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 1wfk s LYS 18 CO 0.24 -0.57 1.91 -0.06 -0.36 0.00 0.00 175.35 176.51 1wfk s PHE 19 N 2.50 1.64 0.37 4.03 0.08 -1.06 -4.78 117.98 120.76 1wfk s PHE 19 Ca 0.62 0.73 0.04 0.00 0.12 0.00 0.00 56.93 58.44 1wfk s PHE 19 Cb -0.30 -4.05 -0.06 0.00 -0.57 0.00 0.00 43.02 38.05 1wfk s PHE 19 CO 0.25 -2.92 0.06 0.95 -0.10 0.00 0.00 175.22 173.46 1wfk s THR 20 N 7.96 1.23 0.14 0.64 -4.23 0.17 -4.92 115.64 116.63 1wfk s THR 20 Ca 0.81 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1wfk s THR 20 Cb -0.21 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 70.97 1wfk s THR 20 CO 0.31 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.69 1wfk n LEU 21 N -0.81 -0.63 -0.16 4.79 4.32 -1.26 0.11 117.00 123.36 1wfk n LEU 21 Ca -0.04 1.29 -0.10 0.00 -0.02 0.00 0.00 56.01 57.14 1wfk n LEU 21 Cb 0.66 -0.23 -0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1wfk n LEU 21 CO 0.42 -1.10 0.82 -0.26 -1.22 0.00 0.00 177.39 176.05 1wfk h PHE 22 N 0.00 0.84 -3.55 -1.77 -1.00 -1.97 -3.34 116.94 106.16 1wfk h PHE 22 Ca 0.18 -0.13 -0.78 0.00 2.81 0.00 0.00 57.97 60.05 1wfk h PHE 22 Cb 0.36 -0.22 -0.29 0.00 3.61 0.00 0.00 35.95 39.41 1wfk h PHE 22 CO -0.70 0.81 0.30 0.21 -1.61 0.00 0.00 178.31 177.31 1wfk s LYS 23 N -5.08 3.94 1.27 1.51 2.47 0.30 -5.05 119.74 119.11 1wfk s LYS 23 Ca -0.13 -3.14 -0.18 0.00 -1.56 0.00 0.00 55.97 50.97 1wfk s LYS 23 Cb 0.11 -4.42 0.30 0.00 -1.46 0.00 0.00 37.83 32.36 1wfk s LYS 23 CO 0.80 -1.25 0.77 1.63 0.16 0.00 0.00 175.35 177.46 1wfk n LYS 24 N 2.79 -3.25 -4.38 4.03 5.02 -0.94 0.43 118.16 121.85 1wfk n LYS 24 Ca 0.22 -0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 55.23 1wfk n LYS 24 Cb 0.40 -1.96 -0.12 0.00 -0.02 0.00 0.00 35.03 33.33 1wfk n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfk s GLU 25 N -4.40 3.62 0.31 1.97 2.12 -1.26 -4.06 118.70 116.99 1wfk s GLU 25 Ca 0.64 -0.50 0.11 0.00 0.36 0.00 0.00 54.97 55.58 1wfk s GLU 25 Cb -0.18 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 1wfk s GLU 25 CO 0.60 0.29 -0.15 0.71 -0.54 0.00 0.00 175.26 176.18 1wfk s TYR 26 N 0.23 2.34 0.02 5.30 1.51 0.23 -4.94 117.35 122.05 1wfk s TYR 26 Ca -0.02 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1wfk s TYR 26 Cb -0.14 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1wfk s TYR 26 CO 0.03 0.65 -0.15 0.20 -1.11 0.00 0.00 175.55 175.16 1wfk s GLY 27 N -3.56 0.79 0.51 0.71 0.00 -1.26 -0.72 107.32 103.79 1wfk s GLY 27 Ca 0.31 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 1wfk s GLY 27 CO 0.16 -0.72 0.76 0.00 0.00 0.00 0.00 173.10 173.30 1wfk n LYS 29 N -2.28 0.40 0.00 0.00 4.76 -1.26 -3.93 118.16 115.86 1wfk n LYS 29 Ca 0.03 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1wfk n LYS 29 Cb 0.58 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 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 -3.18 0.00 0.03 4.39 5.15 -1.26 -4.10 115.26 116.29 1wfk n ASN 30 Ca -0.31 0.60 -0.06 0.00 -0.60 0.00 0.00 54.58 54.21 1wfk n ASN 30 Cb 0.79 -0.28 0.13 0.00 -0.53 0.00 0.00 39.78 39.90 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 0.48 3.67 0.00 0.00 -1.25 -5.05 105.19 103.05 1wfk n GLY 32 Ca -0.02 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.76 2.09 -0.10 1.61 0.52 -1.26 -4.82 118.95 112.23 1wfk s ARG 33 Ca 0.06 -1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 53.12 1wfk s ARG 33 Cb -0.03 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1wfk s ARG 33 CO 0.14 -0.04 0.64 0.00 0.02 0.00 0.00 175.30 176.06 1wfk s ALA 34 N -2.63 3.40 0.09 2.13 0.00 -1.26 -1.39 121.76 122.10 1wfk s ALA 34 Ca 0.37 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1wfk s ALA 34 Cb 0.05 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1wfk s ALA 34 CO 0.20 -0.15 -0.04 -0.06 0.00 0.00 0.00 175.76 175.71 1wfk s PHE 35 N 0.93 0.77 -0.01 0.00 0.08 0.10 0.04 117.98 119.90 1wfk s PHE 35 Ca 0.34 -0.99 -0.11 0.00 0.12 0.00 0.00 56.93 56.28 1wfk s PHE 35 Cb -0.17 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1wfk s PHE 35 CO 0.15 -0.25 0.33 0.00 -0.10 0.00 0.00 175.22 175.34 1wfk n ASN 37 N 1.60 0.13 -0.03 0.00 2.85 -1.26 0.23 115.26 118.79 1wfk n ASN 37 Ca -0.14 0.84 -0.12 0.00 -0.11 0.00 0.00 54.58 55.06 1wfk n ASN 37 Cb 0.53 -0.41 -0.07 0.00 1.24 0.00 0.00 39.78 41.07 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 0.19 1.26 8.20 0.00 -1.93 -3.16 103.07 107.62 1wfk h GLY 38 Ca 0.52 -0.13 -0.32 0.00 0.00 0.00 0.00 47.33 47.41 1wfk h GLY 38 CO -0.30 0.12 -1.39 0.00 0.00 0.00 0.00 176.54 174.97 1wfk n LEU 40 N -3.75 6.85 -1.09 0.00 7.94 0.95 -2.72 117.00 125.19 1wfk n LEU 40 Ca -0.16 -4.11 -0.03 0.00 -1.11 0.00 0.00 56.01 50.60 1wfk n LEU 40 Cb 1.06 -1.34 0.20 0.00 0.53 0.00 0.00 43.42 43.87 1wfk n LEU 40 CO 0.60 1.85 0.63 -1.54 -1.11 0.00 0.00 177.39 177.81 1wfk n SER 41 N 1.74 2.36 -4.34 1.96 3.41 -1.20 -4.74 113.62 112.81 1wfk n SER 41 Ca 0.54 -3.82 -0.18 0.00 -0.26 0.00 0.00 58.87 55.15 1wfk n SER 41 Cb 0.52 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -3.26 1.62 0.02 7.33 0.40 -1.16 -5.04 117.98 117.89 1wfk s PHE 42 Ca 0.44 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1wfk s PHE 42 Cb 0.40 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 43.04 1wfk s PHE 42 CO -0.02 0.16 -0.04 -1.12 0.70 0.00 0.00 175.22 174.90 1wfk s SER 43 N -3.31 0.40 -0.13 1.36 0.01 -1.26 0.29 113.70 111.06 1wfk s SER 43 Ca 0.25 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1wfk s SER 43 Cb 0.03 0.05 0.12 0.00 0.21 0.00 0.00 66.02 66.44 1wfk s SER 43 CO 0.07 -0.19 1.00 0.00 0.41 0.00 0.00 173.24 174.53 1wfk s ALA 44 N -1.08 -1.92 0.05 1.44 0.00 -0.81 -4.87 121.76 114.57 1wfk s ALA 44 Ca -0.10 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 1wfk s ALA 44 Cb -0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1wfk s ALA 44 CO -0.00 -0.42 1.96 1.28 0.00 0.00 0.00 175.76 178.58 1wfk n LEU 45 N 0.43 4.17 -4.61 0.00 4.77 -1.26 -2.43 117.00 118.08 1wfk n LEU 45 Ca -0.09 0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 56.44 1wfk n LEU 45 Cb 0.59 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 1wfk n LEU 45 CO 0.14 0.21 -0.21 -0.69 -1.33 0.00 0.00 177.39 175.50 1wfk s VAL 46 N 4.23 5.01 -2.00 4.08 1.01 -0.87 -4.79 120.40 127.07 1wfk s VAL 46 Ca 0.88 0.06 0.10 0.00 0.00 0.00 0.00 61.98 63.02 1wfk s VAL 46 Cb -0.44 -3.32 0.29 0.00 0.00 0.00 0.00 36.38 32.91 1wfk s VAL 46 CO 0.41 0.36 1.05 -0.81 0.00 0.00 0.00 175.10 176.11 1wfk n PRO 47 N 4.29 0.49 -0.09 2.72 -0.04 -1.26 0.61 135.00 141.72 1wfk n PRO 47 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1wfk n PRO 47 Cb 0.52 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.83 1.03 -1.21 0.54 1.74 -1.26 -4.46 116.66 112.21 1wfk n ARG 48 Ca 0.08 0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.93 1wfk n ARG 48 Cb 0.04 -1.42 0.14 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.79 5.73 -2.83 7.54 0.00 -1.01 -4.85 120.51 122.30 1wfk n ALA 49 Ca -0.31 -2.95 -0.11 0.00 0.00 0.00 0.00 53.44 50.08 1wfk n ALA 49 Cb 0.99 -1.54 0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.97 0.21 3.56 0.00 0.00 -1.23 -3.56 105.19 103.20 1wfk n GLY 50 Ca 0.58 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.42 -3.42 -4.47 1.61 4.13 0.20 -4.97 115.26 107.92 1wfk n ASN 51 Ca -0.02 -0.81 -0.33 0.00 1.68 0.00 0.00 54.58 55.09 1wfk n ASN 51 Cb 0.54 -4.31 -0.13 0.00 -1.54 0.00 0.00 39.78 34.34 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 -3.53 3.36 -1.09 3.41 -4.23 -1.18 -4.62 115.64 107.75 1wfk s THR 52 Ca 0.21 -0.58 -0.26 0.00 -1.18 0.00 0.00 61.69 59.88 1wfk s THR 52 Cb -0.05 -2.39 -0.19 0.00 1.34 0.00 0.00 72.50 71.21 1wfk s THR 52 CO 0.80 0.55 2.04 1.67 -0.54 0.00 0.00 174.62 179.14 1wfk n GLN 53 N 2.93 0.61 -3.61 3.99 7.27 -1.26 -2.04 117.38 125.25 1wfk n GLN 53 Ca -0.18 -1.95 -0.21 0.00 0.07 0.00 0.00 57.00 54.73 1wfk n GLN 53 Cb 0.53 -3.84 -0.01 0.00 2.41 0.00 0.00 30.24 29.33 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 7.80 3.31 -0.19 3.69 -1.52 -1.02 -4.64 119.66 127.09 1wfk s GLN 54 Ca 0.77 -0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 53.15 1wfk s GLN 54 Cb -0.03 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 1wfk s GLN 54 CO 0.18 0.20 1.79 0.15 -0.25 0.00 0.00 175.29 177.35 1wfk s LYS 55 N -4.16 3.69 0.29 2.91 -0.14 -1.26 -1.91 119.74 119.15 1wfk s LYS 55 Ca 0.40 1.84 0.10 0.00 -1.36 0.00 0.00 55.97 56.94 1wfk s LYS 55 Cb -0.09 -4.13 -0.05 0.00 -1.68 0.00 0.00 37.83 31.87 1wfk s LYS 55 CO 0.32 -1.44 -0.14 0.14 -0.76 0.00 0.00 175.35 173.47 1wfk s VAL 56 N 5.79 2.17 0.56 3.17 -7.23 0.14 -3.99 120.40 121.01 1wfk s VAL 56 Ca 0.80 -2.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 1wfk s VAL 56 Cb -0.29 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1wfk s VAL 56 CO 0.32 -0.36 1.04 0.00 -0.31 0.00 0.00 175.10 175.79 1wfk n LYS 58 N -1.77 -0.13 0.00 0.00 3.00 -1.10 -0.39 118.16 117.77 1wfk n LYS 58 Ca 0.08 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 1wfk n LYS 58 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.26 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 -3.61 0.00 -0.31 1.64 7.27 -1.26 -0.94 117.38 120.18 1wfk n GLN 59 Ca 0.01 0.79 -0.02 0.00 0.07 0.00 0.00 57.00 57.84 1wfk n GLN 59 Cb 0.08 -1.28 0.04 0.00 2.41 0.00 0.00 30.24 31.49 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 0.30 0.08 0.00 -0.00 0.70 0.41 115.15 116.59 1wfk h HIS 61 Ca 0.32 0.01 -0.33 0.00 -0.00 0.00 0.00 60.37 60.37 1wfk h HIS 61 Cb 0.59 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 1wfk h HIS 61 CO -0.77 0.01 -1.79 1.15 -0.00 0.00 0.00 177.93 176.54 1wfk h THR 62 N 0.17 0.83 -0.46 6.26 2.02 0.30 -3.24 112.91 118.78 1wfk h THR 62 Ca 0.60 -2.57 -0.08 0.00 0.77 0.00 0.00 66.41 65.12 1wfk h THR 62 Cb 1.98 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 70.92 1wfk h THR 62 CO -0.15 0.74 -0.05 0.40 0.37 0.00 0.00 175.52 176.83 1wfk h ILE 63 N 0.05 1.25 0.00 3.11 2.04 0.27 0.80 117.51 125.03 1wfk h ILE 63 Ca -0.33 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1wfk h ILE 63 Cb 2.02 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1wfk h ILE 63 CO 0.10 0.38 0.00 -0.07 0.00 0.00 0.00 178.15 178.56 1wfk h LEU 64 N 0.74 0.00 0.00 1.44 3.38 -0.49 -3.04 115.31 117.34 1wfk h LEU 64 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1wfk h LEU 64 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1wfk h LEU 64 CO 0.03 0.00 -1.90 0.35 0.09 0.00 0.00 178.44 177.01 1wfk n THR 65 N -2.37 0.23 0.09 0.22 -2.24 -0.86 -4.33 114.28 105.01 1wfk n THR 65 Ca 0.05 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 1wfk n THR 65 Cb 0.39 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.06 0.00 -0.78 0.11 0.63 -3.46 114.38 110.94 1wfk h ARG 66 Ca -0.09 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1wfk h ARG 66 Cb 1.07 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1wfk h ARG 66 CO 0.00 0.86 0.00 0.41 0.10 0.00 0.00 179.97 181.35 1wfk n GLY 67 N 0.86 1.41 3.53 0.08 0.00 -1.15 -5.08 105.19 104.83 1wfk n GLY 67 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1wfk n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfk s SER 68 N 0.90 -0.46 -0.03 1.61 1.04 -1.26 -5.03 113.70 110.48 1wfk s SER 68 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1wfk s SER 68 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1wfk s SER 68 CO 0.00 -0.53 0.01 -0.44 0.98 0.00 0.00 173.24 173.26 1wfk s SER 69 N -1.63 5.23 0.55 7.02 0.01 -1.26 -5.01 113.70 118.62 1wfk s SER 69 Ca -0.02 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.12 1wfk s SER 69 Cb -0.01 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.71 1wfk s SER 69 CO -0.00 0.31 0.50 0.47 0.41 0.00 0.00 173.24 174.93 1wfk n ASP 70 N 1.61 -1.12 -4.10 2.44 8.00 -1.26 -4.93 116.55 117.19 1wfk n ASP 70 Ca -0.16 0.75 -0.36 0.00 0.71 0.00 0.00 54.79 55.73 1wfk n ASP 70 Cb 0.53 -1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 40.40 1wfk n ASP 70 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wfk s ASN 71 N -1.14 5.88 -0.52 -2.24 2.47 -1.26 -4.97 114.94 113.16 1wfk s ASN 71 Ca 0.68 -3.64 0.04 0.00 0.42 0.00 0.00 52.86 50.35 1wfk s ASN 71 Cb -0.46 -1.89 0.14 0.00 -1.45 0.00 0.00 41.25 37.59 1wfk s ASN 71 CO 0.55 -0.20 0.31 0.00 -3.72 0.00 0.00 177.10 174.04 1wfk s ALA 72 N -1.23 2.91 0.21 1.71 0.00 -1.26 -5.07 121.76 119.03 1wfk s ALA 72 Ca 0.26 -3.12 -0.22 0.00 0.00 0.00 0.00 51.96 48.88 1wfk s ALA 72 Cb -0.08 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1wfk s ALA 72 CO -0.12 -2.05 0.92 -1.12 0.00 0.00 0.00 175.76 173.40 1wfk s SER 73 N -0.30 -0.11 -0.61 0.00 0.01 -1.26 -4.95 113.70 106.47 1wfk s SER 73 Ca 0.20 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 1wfk s SER 73 Cb -0.19 0.58 0.12 0.00 0.21 0.00 0.00 66.02 66.74 1wfk s SER 73 CO -0.05 -1.10 0.67 -0.75 0.41 0.00 0.00 173.24 172.42 1wfk s LYS 74 N -2.94 3.11 -0.10 12.44 2.47 -1.26 -5.00 119.74 128.45 1wfk s LYS 74 Ca 0.15 -1.57 -0.03 0.00 -1.56 0.00 0.00 55.97 52.96 1wfk s LYS 74 Cb -0.03 -4.32 0.04 0.00 -1.46 0.00 0.00 37.83 32.06 1wfk s LYS 74 CO 0.05 -1.47 0.05 -0.46 0.16 0.00 0.00 175.35 173.68 1wfk s TRP 75 N 2.12 0.39 -0.01 4.03 -0.00 -1.26 -5.14 118.94 119.06 1wfk s TRP 75 Ca 0.10 -0.15 -0.09 0.00 -0.00 0.00 0.00 56.10 55.97 1wfk s TRP 75 Cb -0.24 -0.69 -0.05 0.00 -0.00 0.00 0.00 33.47 32.49 1wfk s TRP 75 CO 0.03 -0.36 0.30 -1.12 -0.00 0.00 0.00 176.95 175.79 1wfk s SER 76 N 2.07 6.57 0.51 5.86 0.01 -1.26 -5.08 113.70 122.38 1wfk s SER 76 Ca 0.03 0.67 -0.21 0.00 1.31 0.00 0.00 55.95 57.76 1wfk s SER 76 Cb -0.14 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1wfk s SER 76 CO -0.06 0.29 1.14 -2.16 0.41 0.00 0.00 173.24 172.86 1wfk s PRO 77 N -1.47 3.49 1.23 12.44 0.04 -1.26 -5.04 135.00 144.44 1wfk s PRO 77 Ca 0.25 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 1wfk s PRO 77 Cb -0.14 -2.14 0.30 0.00 0.04 0.00 0.00 34.50 32.57 1wfk s PRO 77 CO 0.13 -0.74 1.11 -1.25 0.04 0.00 0.00 177.00 176.29 1wfk s PRO 78 N -3.09 -1.49 0.25 0.56 0.04 -1.26 -4.90 135.00 125.11 1wfk s PRO 78 Ca 0.70 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1wfk s PRO 78 Cb -0.25 -1.57 0.35 0.00 0.04 0.00 0.00 34.50 33.06 1wfk s PRO 78 CO 0.29 -3.87 1.58 0.37 0.04 0.00 0.00 177.00 175.41 1wfk h GLN 79 N -2.69 -0.01 -1.94 4.56 5.75 -2.09 -3.41 115.11 115.28 1wfk h GLN 79 Ca -0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 1wfk h GLN 79 Cb 1.29 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 29.62 1wfk h GLN 79 CO 0.30 -0.01 0.12 -0.80 -2.65 0.00 0.00 178.83 175.80 1wfk s ASN 80 N -5.26 -0.80 -0.16 -0.69 -0.87 -1.26 -5.16 114.94 100.74 1wfk s ASN 80 Ca -0.15 1.39 -0.06 0.00 -1.57 0.00 0.00 52.86 52.48 1wfk s ASN 80 Cb 0.23 1.37 0.08 0.00 -0.02 0.00 0.00 41.25 42.91 1wfk s ASN 80 CO 0.75 -0.23 0.35 -0.72 -2.57 0.00 0.00 177.10 174.68 1wfk s TYR 81 N 0.98 -0.61 -0.37 2.20 1.13 -1.26 -5.13 117.35 114.30 1wfk s TYR 81 Ca -0.05 1.25 -0.23 0.00 -1.41 0.00 0.00 57.07 56.63 1wfk s TYR 81 Cb -0.05 0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.97 1wfk s TYR 81 CO -0.10 -0.41 0.75 0.15 -2.51 0.00 0.00 175.55 173.44 1wfk s LYS 82 N 2.35 3.71 0.33 -3.49 1.02 -1.26 -5.01 119.74 117.40 1wfk s LYS 82 Ca -0.02 0.23 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 1wfk s LYS 82 Cb -0.12 -3.82 0.02 0.00 -0.52 0.00 0.00 37.83 33.40 1wfk s LYS 82 CO -0.11 -0.84 0.63 -1.54 -0.92 0.00 0.00 175.35 172.57 1wfk s SER 83 N 1.84 0.18 0.27 2.83 1.04 -1.26 -5.16 113.70 113.44 1wfk s SER 83 Ca 0.30 -1.10 -0.23 0.00 0.48 0.00 0.00 55.95 55.39 1wfk s SER 83 Cb -0.13 0.72 -0.09 0.00 0.10 0.00 0.00 66.02 66.62 1wfk s SER 83 CO 0.17 -1.41 0.84 -0.83 0.98 0.00 0.00 173.24 172.98 1wfk s GLY 84 N -3.08 2.74 0.44 7.32 0.00 -1.26 -5.04 107.32 108.44 1wfk s GLY 84 Ca 0.20 0.36 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 1wfk s GLY 84 CO 0.12 0.78 1.17 2.56 0.00 0.00 0.00 173.10 177.74 1wfk s PRO 85 N -1.93 3.86 -0.07 2.90 0.04 -1.26 -5.05 135.00 133.49 1wfk s PRO 85 Ca 0.46 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wfk s PRO 85 Cb -0.18 -2.51 0.02 0.00 0.04 0.00 0.00 34.50 31.87 1wfk s PRO 85 CO 0.23 -0.48 -0.04 0.45 0.04 0.00 0.00 177.00 177.21 1wfk s SER 86 N -1.25 1.50 1.01 6.66 0.15 -1.26 -5.14 113.70 115.38 1wfk s SER 86 Ca 0.61 -0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 1wfk s SER 86 Cb -0.30 -0.54 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1wfk s SER 86 CO 0.37 -0.12 0.14 -1.20 1.20 0.00 0.00 173.24 173.63 1wfk n SER 87 N 4.67 -2.46 0.00 5.45 7.64 -1.26 -5.28 113.62 122.39 1wfk n SER 87 Ca -0.15 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wfk n SER 87 Cb 0.50 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1wfk n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64