#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 -0.81 -3.17 1.61 4.64 -2.12 -3.40 113.55 110.30 1wfk h SER 2 Ca 0.00 0.26 -0.48 0.00 -0.47 0.00 0.00 61.79 61.10 1wfk h SER 2 Cb 0.00 0.53 0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1wfk h SER 2 CO 0.00 -0.28 -0.01 -0.44 -0.87 0.00 0.00 176.83 175.23 1wfk s SER 3 N -5.25 6.04 0.00 4.97 0.01 -1.26 -5.08 113.70 113.12 1wfk s SER 3 Ca -0.15 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1wfk s SER 3 Cb 0.24 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1wfk s SER 3 CO 0.76 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1wfk n GLY 4 N -2.15 3.69 2.53 3.44 0.00 -1.26 -5.04 105.19 106.40 1wfk n GLY 4 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1wfk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfk n SER 5 N 0.00 -3.16 -4.53 1.61 2.88 -1.26 -5.04 113.62 104.11 1wfk n SER 5 Ca 0.00 -0.33 -0.30 0.00 -1.33 0.00 0.00 58.87 56.91 1wfk n SER 5 Cb 0.00 -3.13 -0.11 0.00 -0.75 0.00 0.00 64.21 60.22 1wfk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfk s SER 6 N -3.51 4.15 0.45 -3.46 0.01 -1.26 -5.02 113.70 105.07 1wfk s SER 6 Ca 0.15 -0.46 0.15 0.00 1.31 0.00 0.00 55.95 57.10 1wfk s SER 6 Cb -0.07 -0.70 1.09 0.00 0.21 0.00 0.00 66.02 66.55 1wfk s SER 6 CO 0.42 0.18 1.99 1.23 0.41 0.00 0.00 173.24 177.47 1wfk h GLY 7 N 3.70 0.48 -5.96 3.44 0.00 -2.08 -3.46 103.07 99.20 1wfk h GLY 7 Ca -0.49 -0.14 -0.39 0.00 0.00 0.00 0.00 47.33 46.31 1wfk h GLY 7 CO 0.49 0.08 -0.82 1.03 0.00 0.00 0.00 176.54 177.33 1wfk n MET 8 N -4.46 -5.16 -0.77 4.80 0.00 -1.26 -4.97 117.12 105.30 1wfk n MET 8 Ca 0.09 0.68 -0.30 0.00 0.00 0.00 0.00 57.70 58.17 1wfk n MET 8 Cb 0.39 -5.35 0.26 0.00 0.00 0.00 0.00 33.22 28.53 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 -5.77 -1.99 -0.49 0.03 8.01 -1.26 -4.76 118.70 112.48 1wfk s GLU 9 Ca 0.03 0.03 -0.44 0.00 0.01 0.00 0.00 54.97 54.59 1wfk s GLU 9 Cb -0.01 -1.50 -0.19 0.00 -4.31 0.00 0.00 34.13 28.13 1wfk s GLU 9 CO 0.79 -4.23 1.99 0.43 0.01 0.00 0.00 175.26 174.25 1wfk n SER 10 N -5.15 0.95 -4.03 -0.19 7.64 -1.26 -4.88 113.62 106.69 1wfk n SER 10 Ca 0.13 0.81 -0.22 0.00 1.01 0.00 0.00 58.87 60.60 1wfk n SER 10 Cb 0.60 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 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 6.56 0.99 -3.47 1.43 1.74 -1.26 -2.47 116.66 120.17 1wfk n ARG 11 Ca 0.48 -2.64 -0.35 0.00 -0.77 0.00 0.00 57.85 54.57 1wfk n ARG 11 Cb -0.03 0.50 -0.06 0.00 -1.02 0.00 0.00 32.46 31.85 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 0.88 1.52 0.00 0.00 4.19 0.18 -2.07 117.16 121.86 1wfk n TYR 13 Ca -0.07 -1.04 0.00 0.00 3.31 0.00 0.00 57.90 60.10 1wfk n TYR 13 Cb 0.52 -0.56 0.00 0.00 0.49 0.00 0.00 39.34 39.79 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 -0.22 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.76 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 -0.14 -2.67 0.00 0.00 -0.88 -4.95 120.51 111.04 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 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.26 4.72 0.14 0.00 0.11 -1.26 -4.47 120.40 117.37 1wfk s VAL 17 Ca 0.00 2.00 -0.31 0.00 -2.93 0.00 0.00 61.98 60.74 1wfk s VAL 17 Cb 0.00 -4.30 -0.11 0.00 -1.53 0.00 0.00 36.38 30.45 1wfk s VAL 17 CO 0.00 -0.12 1.78 -0.75 -3.33 0.00 0.00 175.10 172.68 1wfk s LYS 18 N 2.84 4.14 0.17 1.54 2.20 -1.26 -2.46 119.74 126.91 1wfk s LYS 18 Ca 0.45 2.57 -0.30 0.00 -0.36 0.00 0.00 55.97 58.32 1wfk s LYS 18 Cb -0.16 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 1wfk s LYS 18 CO 0.09 -0.80 1.33 -0.06 -0.36 0.00 0.00 175.35 175.55 1wfk s PHE 19 N 2.31 3.26 0.32 4.03 0.08 -1.03 -4.82 117.98 122.13 1wfk s PHE 19 Ca 0.78 1.15 -0.01 0.00 0.12 0.00 0.00 56.93 58.97 1wfk s PHE 19 Cb -0.46 -3.62 -0.01 0.00 -0.57 0.00 0.00 43.02 38.36 1wfk s PHE 19 CO 0.35 -2.01 0.39 0.95 -0.10 0.00 0.00 175.22 174.81 1wfk s THR 20 N 0.43 0.00 0.38 0.64 -4.23 0.14 -4.93 115.64 108.07 1wfk s THR 20 Ca 0.59 -1.71 0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1wfk s THR 20 Cb -0.36 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.30 1wfk s THR 20 CO 0.36 0.00 1.67 -0.07 -0.54 0.00 0.00 174.62 176.04 1wfk h LEU 21 N 2.18 0.43 0.14 4.79 4.07 -1.97 0.17 115.31 125.13 1wfk h LEU 21 Ca -0.28 0.16 -0.34 0.00 0.08 0.00 0.00 57.88 57.50 1wfk h LEU 21 Cb 1.24 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1wfk h LEU 21 CO 0.39 -0.12 -1.77 2.19 -1.08 0.00 0.00 178.44 178.05 1wfk h PHE 22 N 0.27 0.55 -2.63 1.13 -0.00 -1.98 -3.39 116.94 110.89 1wfk h PHE 22 Ca 0.74 -0.40 -0.77 0.00 -0.00 0.00 0.00 57.97 57.53 1wfk h PHE 22 Cb 1.89 -0.02 -0.30 0.00 -0.00 0.00 0.00 35.95 37.52 1wfk h PHE 22 CO -0.01 1.60 0.60 1.17 -0.00 0.00 0.00 178.31 181.67 1wfk n LYS 23 N -3.49 4.41 -0.76 6.09 3.00 0.52 -5.05 118.16 122.87 1wfk n LYS 23 Ca -0.24 -4.62 -0.29 0.00 -0.00 0.00 0.00 58.31 53.16 1wfk n LYS 23 Cb 1.06 -2.45 0.10 0.00 0.00 0.00 0.00 35.03 33.74 1wfk n LYS 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1wfk n LYS 24 N 0.85 -1.05 -4.48 1.64 5.02 -0.68 -0.69 118.16 118.77 1wfk n LYS 24 Ca 0.32 -0.30 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1wfk n LYS 24 Cb 0.33 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.82 3.60 0.28 1.97 2.12 -1.26 -4.25 118.70 118.34 1wfk s GLU 25 Ca 0.40 -0.55 0.10 0.00 0.36 0.00 0.00 54.97 55.28 1wfk s GLU 25 Cb -0.02 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 1wfk s GLU 25 CO 0.54 0.25 -0.04 0.71 -0.54 0.00 0.00 175.26 176.18 1wfk s TYR 26 N 0.32 2.59 0.05 5.30 1.51 0.21 -4.96 117.35 122.38 1wfk s TYR 26 Ca -0.05 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 1wfk s TYR 26 Cb -0.14 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1wfk s TYR 26 CO 0.03 0.61 -0.18 0.20 -1.11 0.00 0.00 175.55 175.11 1wfk s GLY 27 N -3.65 0.98 0.49 0.71 0.00 -1.26 -0.46 107.32 104.12 1wfk s GLY 27 Ca 0.32 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1wfk s GLY 27 CO 0.19 -0.95 0.70 0.00 0.00 0.00 0.00 173.10 173.05 1wfk n LYS 29 N -2.16 0.34 0.00 0.00 4.76 -1.26 -3.96 118.16 115.88 1wfk n LYS 29 Ca 0.04 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1wfk n LYS 29 Cb 0.59 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 -3.09 0.00 0.02 4.39 5.15 -1.26 -4.12 115.26 116.36 1wfk n ASN 30 Ca -0.26 0.72 -0.11 0.00 -0.60 0.00 0.00 54.58 54.32 1wfk n ASN 30 Cb 0.75 -0.38 0.01 0.00 -0.53 0.00 0.00 39.78 39.64 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 0.51 0.62 3.60 0.00 0.00 -1.25 -5.06 105.19 103.62 1wfk n GLY 32 Ca -0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.60 2.00 -0.09 1.61 0.52 -1.26 -4.82 118.95 112.30 1wfk s ARG 33 Ca 0.02 -1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 53.16 1wfk s ARG 33 Cb -0.01 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1wfk s ARG 33 CO 0.05 0.13 0.82 0.00 0.02 0.00 0.00 175.30 176.33 1wfk s ALA 34 N -2.55 3.36 0.09 2.13 0.00 -1.26 -1.62 121.76 121.91 1wfk s ALA 34 Ca 0.34 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1wfk s ALA 34 Cb 0.01 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wfk s ALA 34 CO 0.18 -0.34 -0.06 -0.06 0.00 0.00 0.00 175.76 175.49 1wfk s PHE 35 N 1.35 0.85 -0.02 0.00 0.08 0.39 0.48 117.98 121.10 1wfk s PHE 35 Ca 0.42 -0.92 -0.12 0.00 0.12 0.00 0.00 56.93 56.43 1wfk s PHE 35 Cb -0.18 -0.50 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1wfk s PHE 35 CO 0.18 -0.17 0.33 0.00 -0.10 0.00 0.00 175.22 175.47 1wfk n ASN 37 N 1.76 0.14 0.02 0.00 2.85 -1.26 0.23 115.26 119.00 1wfk n ASN 37 Ca -0.15 0.79 -0.12 0.00 -0.11 0.00 0.00 54.58 54.99 1wfk n ASN 37 Cb 0.53 -0.39 -0.08 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 0.02 1.45 8.20 0.00 -1.94 -3.12 103.07 107.68 1wfk h GLY 38 Ca 0.45 -0.01 -0.28 0.00 0.00 0.00 0.00 47.33 47.49 1wfk h GLY 38 CO -0.31 0.01 -1.24 0.00 0.00 0.00 0.00 176.54 174.99 1wfk n LEU 40 N -3.67 7.38 -1.18 0.00 7.94 0.98 -2.26 117.00 126.20 1wfk n LEU 40 Ca -0.11 -4.53 -0.06 0.00 -1.11 0.00 0.00 56.01 50.20 1wfk n LEU 40 Cb 1.00 -1.31 0.16 0.00 0.53 0.00 0.00 43.42 43.80 1wfk n LEU 40 CO 0.56 1.93 0.48 -1.54 -1.11 0.00 0.00 177.39 177.70 1wfk n SER 41 N 1.41 2.91 -4.29 1.96 3.41 -1.18 -4.71 113.62 113.13 1wfk n SER 41 Ca 0.57 -3.83 -0.16 0.00 -0.26 0.00 0.00 58.87 55.19 1wfk n SER 41 Cb 0.38 -0.55 -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 -3.35 1.41 -0.02 7.33 0.40 -1.15 -5.04 117.98 117.56 1wfk s PHE 42 Ca 0.44 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1wfk s PHE 42 Cb 0.40 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 43.14 1wfk s PHE 42 CO -0.02 -0.05 0.05 -1.12 0.70 0.00 0.00 175.22 174.78 1wfk s SER 43 N -3.24 -0.03 -0.10 1.36 0.01 -1.26 0.61 113.70 111.03 1wfk s SER 43 Ca 0.24 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 1wfk s SER 43 Cb 0.05 0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.46 1wfk s SER 43 CO 0.06 -0.04 0.73 0.00 0.41 0.00 0.00 173.24 174.39 1wfk s ALA 44 N -0.10 -1.79 -0.10 1.44 0.00 -0.76 -4.88 121.76 115.56 1wfk s ALA 44 Ca -0.01 1.48 -0.35 0.00 0.00 0.00 0.00 51.96 53.08 1wfk s ALA 44 Cb -0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 23.12 22.68 1wfk s ALA 44 CO 0.00 -0.36 1.85 1.28 0.00 0.00 0.00 175.76 178.53 1wfk n LEU 45 N 1.24 3.29 -4.57 0.00 4.77 -1.25 -2.85 117.00 117.62 1wfk n LEU 45 Ca -0.17 0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 56.44 1wfk n LEU 45 Cb 0.57 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.21 1wfk n LEU 45 CO 0.19 -0.12 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.20 1wfk s VAL 46 N 3.85 4.76 -2.00 4.08 1.01 -0.37 -4.78 120.40 126.94 1wfk s VAL 46 Ca 0.93 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1wfk s VAL 46 Cb -0.74 -3.20 0.28 0.00 0.00 0.00 0.00 36.38 32.72 1wfk s VAL 46 CO 0.53 0.38 1.03 -0.81 0.00 0.00 0.00 175.10 176.23 1wfk n PRO 47 N 4.29 0.49 -0.08 2.72 -0.04 -1.26 0.06 135.00 141.17 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 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.82 1.42 -1.27 0.54 1.74 -1.26 -4.48 116.66 112.53 1wfk n ARG 48 Ca 0.07 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.90 1wfk n ARG 48 Cb 0.03 -1.39 0.13 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.60 5.70 -2.75 7.54 0.00 -0.98 -4.88 120.51 122.54 1wfk n ALA 49 Ca -0.26 -3.22 -0.09 0.00 0.00 0.00 0.00 53.44 49.88 1wfk n ALA 49 Cb 0.99 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.03 0.07 4.11 0.00 0.00 -1.22 -3.58 105.19 103.54 1wfk n GLY 50 Ca 0.57 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.86 -1.04 -4.56 1.61 4.13 0.11 -4.94 115.26 108.71 1wfk n ASN 51 Ca -0.12 -1.19 -0.33 0.00 1.68 0.00 0.00 54.58 54.62 1wfk n ASN 51 Cb 0.58 -2.17 -0.11 0.00 -1.54 0.00 0.00 39.78 36.53 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 -4.01 3.51 -1.06 3.41 -4.23 -1.18 -4.63 115.64 107.46 1wfk s THR 52 Ca 0.15 -0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.76 1wfk s THR 52 Cb -0.07 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 1wfk s THR 52 CO 0.95 0.51 1.92 -1.58 -0.54 0.00 0.00 174.62 175.89 1wfk s GLN 53 N -1.03 2.60 0.25 3.99 0.74 -1.26 -1.24 119.66 123.70 1wfk s GLN 53 Ca 0.14 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 54.80 1wfk s GLN 53 Cb -0.11 -5.18 -0.03 0.00 1.10 0.00 0.00 33.01 28.79 1wfk s GLN 53 CO 0.03 -3.62 0.32 -0.65 -0.55 0.00 0.00 175.29 170.83 1wfk s GLN 54 N 6.60 3.30 -0.28 1.67 -1.52 -1.13 -4.68 119.66 123.61 1wfk s GLN 54 Ca 0.68 -0.84 -0.28 0.00 -1.95 0.00 0.00 55.36 52.96 1wfk s GLN 54 Cb -0.03 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.93 1wfk s GLN 54 CO 0.06 0.41 1.87 0.15 -0.25 0.00 0.00 175.29 177.53 1wfk s LYS 55 N -3.95 3.37 0.29 2.91 -0.14 -1.26 -1.83 119.74 119.12 1wfk s LYS 55 Ca 0.34 1.61 0.11 0.00 -1.36 0.00 0.00 55.97 56.68 1wfk s LYS 55 Cb -0.09 -4.21 -0.05 0.00 -1.68 0.00 0.00 37.83 31.80 1wfk s LYS 55 CO 0.28 -1.82 -0.14 0.14 -0.76 0.00 0.00 175.35 173.05 1wfk s VAL 56 N 6.93 2.63 0.64 3.17 -7.23 0.20 -4.10 120.40 122.64 1wfk s VAL 56 Ca 0.84 -2.27 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1wfk s VAL 56 Cb -0.25 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1wfk s VAL 56 CO 0.34 -0.36 1.08 0.00 -0.31 0.00 0.00 175.10 175.84 1wfk n LYS 58 N -2.39 -0.13 0.00 0.00 3.00 -0.96 -0.54 118.16 117.14 1wfk n LYS 58 Ca 0.09 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.40 1wfk n LYS 58 Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.07 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 -0.36 1.64 7.27 -1.26 -1.11 117.38 119.92 1wfk n GLN 59 Ca 0.01 0.74 -0.03 0.00 0.07 0.00 0.00 57.00 57.79 1wfk n GLN 59 Cb 0.08 -1.22 0.02 0.00 2.41 0.00 0.00 30.24 31.53 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 -0.03 0.39 0.14 0.00 -0.00 0.62 0.41 115.15 116.67 1wfk h HIS 61 Ca 0.31 0.01 -0.31 0.00 -0.00 0.00 0.00 60.37 60.38 1wfk h HIS 61 Cb 0.57 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1wfk h HIS 61 CO -0.86 -0.02 -1.57 1.15 -0.00 0.00 0.00 177.93 176.63 1wfk h THR 62 N 0.18 0.97 -0.79 6.26 2.02 0.30 -3.22 112.91 118.64 1wfk h THR 62 Ca 0.66 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1wfk h THR 62 Cb 2.12 2.72 -0.04 0.00 -1.74 0.00 0.00 68.15 71.21 1wfk h THR 62 CO -0.22 0.77 0.50 0.40 0.37 0.00 0.00 175.52 177.35 1wfk h ILE 63 N -0.13 1.21 0.00 3.11 2.04 0.19 1.54 117.51 125.47 1wfk h ILE 63 Ca -0.33 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1wfk h ILE 63 Cb 1.90 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1wfk h ILE 63 CO 0.10 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 178.39 1wfk h LEU 64 N 1.07 0.00 0.00 1.44 3.38 -0.47 -2.16 115.31 118.57 1wfk h LEU 64 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1wfk h LEU 64 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wfk h LEU 64 CO -0.06 0.00 -1.81 0.35 0.09 0.00 0.00 178.44 177.01 1wfk n THR 65 N -3.05 0.00 0.01 0.22 -2.24 -0.50 -4.49 114.28 104.23 1wfk n THR 65 Ca 0.01 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 1wfk n THR 65 Cb 0.31 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.21 0.00 -0.78 0.11 0.24 -3.48 114.38 110.68 1wfk h ARG 66 Ca 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1wfk h ARG 66 Cb 0.86 0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1wfk h ARG 66 CO 0.00 1.17 0.00 0.41 0.10 0.00 0.00 179.97 181.65 1wfk n GLY 67 N 1.65 1.64 3.44 0.08 0.00 -0.83 -4.94 105.19 106.24 1wfk n GLY 67 Ca -0.13 -0.17 -0.47 0.00 0.00 0.00 0.00 46.02 45.25 1wfk n GLY 67 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfk n SER 68 N 2.38 1.25 -3.56 1.61 7.64 -1.26 -4.85 113.62 116.83 1wfk n SER 68 Ca 0.00 0.22 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 1wfk n SER 68 Cb 0.00 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.02 1wfk n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfk s SER 69 N 8.49 -0.43 -0.62 6.43 0.15 -1.26 -5.09 113.70 121.37 1wfk s SER 69 Ca 1.19 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 58.23 1wfk s SER 69 Cb -1.01 0.36 0.16 0.00 -1.71 0.00 0.00 66.02 63.82 1wfk s SER 69 CO 0.48 -0.42 0.45 -1.81 1.20 0.00 0.00 173.24 173.14 1wfk s ASP 70 N -1.23 5.50 -1.79 5.45 1.01 -1.26 -4.74 116.67 119.61 1wfk s ASP 70 Ca -0.03 -2.66 -0.19 0.00 0.71 0.00 0.00 52.55 50.38 1wfk s ASP 70 Cb -0.00 -1.92 0.18 0.00 1.01 0.00 0.00 42.92 42.19 1wfk s ASP 70 CO 0.03 -0.45 0.55 0.59 0.21 0.00 0.00 175.17 176.10 1wfk n ASN 71 N 3.81 -1.68 -0.07 0.27 3.02 -1.26 -4.83 115.26 114.52 1wfk n ASN 71 Ca 0.06 -1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 53.29 1wfk n ASN 71 Cb 0.40 -1.88 -0.09 0.00 -0.61 0.00 0.00 39.78 37.60 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfk h ALA 72 N 0.87 0.06 -2.01 5.41 0.00 -2.00 -3.47 119.26 118.11 1wfk h ALA 72 Ca -0.61 -0.55 -0.40 0.00 0.00 0.00 0.00 54.91 53.35 1wfk h ALA 72 Cb 1.39 0.19 0.22 0.00 0.00 0.00 0.00 17.79 19.59 1wfk h ALA 72 CO 0.84 0.18 -0.13 0.43 0.00 0.00 0.00 179.25 180.58 1wfk n SER 73 N -4.61 -3.17 -4.71 0.00 7.64 -1.26 -4.89 113.62 102.63 1wfk n SER 73 Ca -0.12 -0.57 -0.42 0.00 1.01 0.00 0.00 58.87 58.76 1wfk n SER 73 Cb 0.41 -1.11 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wfk n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wfk n LYS 74 N -5.40 2.11 -3.65 1.43 4.76 -1.26 -5.01 118.16 111.14 1wfk n LYS 74 Ca 0.08 0.74 -0.07 0.00 -2.87 0.00 0.00 58.31 56.19 1wfk n LYS 74 Cb 0.57 -2.37 -0.08 0.00 -1.84 0.00 0.00 35.03 31.32 1wfk n LYS 74 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1wfk s TRP 75 N -1.13 -0.99 0.09 2.13 -0.00 -1.26 -5.13 118.94 112.65 1wfk s TRP 75 Ca 0.57 1.98 0.06 0.00 -0.00 0.00 0.00 56.10 58.70 1wfk s TRP 75 Cb -0.54 0.57 -0.03 0.00 -0.00 0.00 0.00 33.47 33.47 1wfk s TRP 75 CO 0.61 -0.50 -0.15 -1.12 -0.00 0.00 0.00 176.95 175.79 1wfk s SER 76 N 1.65 1.93 0.29 5.86 0.01 -1.26 -5.13 113.70 117.04 1wfk s SER 76 Ca -0.10 -0.68 -0.29 0.00 1.31 0.00 0.00 55.95 56.19 1wfk s SER 76 Cb -0.06 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 1wfk s SER 76 CO -0.18 -0.07 1.24 -2.16 0.41 0.00 0.00 173.24 172.48 1wfk s PRO 77 N -2.01 4.45 0.00 12.44 0.04 -1.26 -5.04 135.00 143.62 1wfk s PRO 77 Ca 0.02 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1wfk s PRO 77 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wfk s PRO 77 CO 0.03 -0.08 0.00 -0.35 0.04 0.00 0.00 177.00 176.64 1wfk n PRO 78 N 1.28 0.23 -1.94 0.56 -0.04 -1.26 -4.88 135.00 128.95 1wfk n PRO 78 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1wfk n PRO 78 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 1wfk n PRO 78 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1wfk s GLN 79 N -1.15 4.21 -1.09 0.54 -2.07 -1.26 -3.15 119.66 115.70 1wfk s GLN 79 Ca 0.00 2.33 -0.01 0.00 -1.82 0.00 0.00 55.36 55.86 1wfk s GLN 79 Cb 0.00 -3.43 0.01 0.00 -1.09 0.00 0.00 33.01 28.50 1wfk s GLN 79 CO 0.00 -0.68 0.03 -1.71 -1.32 0.00 0.00 175.29 171.61 1wfk n ASN 80 N 4.98 0.55 -0.16 12.60 2.85 -1.26 -4.78 115.26 130.03 1wfk n ASN 80 Ca 0.15 -0.89 -0.05 0.00 -0.11 0.00 0.00 54.58 53.68 1wfk n ASN 80 Cb 0.40 -1.10 -0.05 0.00 1.24 0.00 0.00 39.78 40.27 1wfk n ASN 80 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1wfk h TYR 81 N -0.91 -0.86 -6.33 1.20 3.20 -1.88 -3.43 116.97 107.94 1wfk h TYR 81 Ca -0.45 0.06 -0.44 0.00 3.14 0.00 0.00 58.73 61.03 1wfk h TYR 81 Cb 0.97 0.43 -0.19 0.00 1.54 0.00 0.00 36.73 39.48 1wfk h TYR 81 CO 0.37 -0.19 -0.68 1.17 -1.64 0.00 0.00 178.16 177.19 1wfk n LYS 82 N -4.02 -0.91 -0.06 1.82 3.00 -1.26 -4.75 118.16 111.98 1wfk n LYS 82 Ca 0.00 0.08 -0.10 0.00 -0.00 0.00 0.00 58.31 58.29 1wfk n LYS 82 Cb 0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 35.03 32.30 1wfk n LYS 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1wfk n SER 83 N -1.83 2.18 0.00 3.14 7.64 -1.26 -5.14 113.62 118.35 1wfk n SER 83 Ca -0.13 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wfk n SER 83 Cb 0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1wfk n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfk n GLY 84 N 2.65 3.76 0.00 0.23 0.00 -1.26 -4.87 105.19 105.70 1wfk n GLY 84 Ca -0.22 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1wfk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfk n PRO 85 N -0.09 0.48 -3.98 1.61 -0.04 -1.26 -4.74 135.00 126.98 1wfk n PRO 85 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wfk n PRO 85 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1wfk n PRO 85 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfk s SER 86 N -1.94 5.96 0.03 3.54 0.01 -1.26 -5.13 113.70 114.90 1wfk s SER 86 Ca 0.20 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 1wfk s SER 86 Cb 0.09 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1wfk s SER 86 CO 0.16 -0.09 -0.00 -0.44 0.41 0.00 0.00 173.24 173.27 1wfk s SER 87 N -3.94 0.28 0.00 2.44 0.01 -1.26 -5.13 113.70 106.09 1wfk s SER 87 Ca 0.35 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1wfk s SER 87 Cb -0.08 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1wfk s SER 87 CO 0.28 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.13