#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 5.58 -3.51 1.61 3.41 -1.26 -5.00 113.62 114.45 1wfk n SER 2 Ca 0.00 -3.76 -0.17 0.00 -0.26 0.00 0.00 58.87 54.68 1wfk n SER 2 Cb 0.00 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1wfk n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfk s SER 3 N -3.11 -0.64 0.00 4.04 1.04 -1.26 -5.06 113.70 108.71 1wfk s SER 3 Ca 0.53 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1wfk s SER 3 Cb 0.43 0.54 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1wfk s SER 3 CO -0.04 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1wfk n GLY 4 N 0.77 0.00 2.67 7.32 0.00 -1.26 -5.12 105.19 109.57 1wfk n GLY 4 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wfk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfk s SER 5 N 0.00 3.66 0.12 1.61 0.15 -1.26 -5.12 113.70 112.86 1wfk s SER 5 Ca 0.00 -2.22 -0.12 0.00 0.70 0.00 0.00 55.95 54.31 1wfk s SER 5 Cb 0.00 -0.86 -0.06 0.00 -1.71 0.00 0.00 66.02 63.38 1wfk s SER 5 CO 0.00 -0.32 0.49 -0.44 1.20 0.00 0.00 173.24 174.16 1wfk s SER 6 N 0.90 6.73 -1.08 5.45 0.01 -1.26 -5.03 113.70 119.42 1wfk s SER 6 Ca 0.15 0.94 -0.06 0.00 1.31 0.00 0.00 55.95 58.29 1wfk s SER 6 Cb -0.22 -2.24 0.29 0.00 0.21 0.00 0.00 66.02 64.06 1wfk s SER 6 CO -0.08 0.12 1.22 0.61 0.41 0.00 0.00 173.24 175.52 1wfk n GLY 7 N 0.78 4.57 3.49 3.44 0.00 -1.26 -5.00 105.19 111.21 1wfk n GLY 7 Ca -0.06 -2.62 -0.43 0.00 0.00 0.00 0.00 46.02 42.91 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 -1.87 3.23 0.24 1.61 1.00 -1.26 -5.03 119.30 117.22 1wfk s MET 8 Ca 0.31 -0.55 0.04 0.00 0.00 0.00 0.00 55.69 55.49 1wfk s MET 8 Cb -0.04 -4.10 0.04 0.00 0.00 0.00 0.00 34.83 30.73 1wfk s MET 8 CO -0.02 -1.49 0.32 0.39 0.00 0.00 0.00 175.02 174.23 1wfk n GLU 9 N 7.17 0.86 -1.55 2.03 1.02 -1.26 -4.98 120.64 123.92 1wfk n GLU 9 Ca -0.02 -1.31 -0.38 0.00 -0.02 0.00 0.00 57.16 55.43 1wfk n GLU 9 Cb 0.46 -0.08 -0.04 0.00 -0.02 0.00 0.00 31.44 31.76 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfk n SER 10 N -2.67 2.41 -3.65 1.62 7.64 -1.26 -4.91 113.62 112.80 1wfk n SER 10 Ca 0.06 -0.28 -0.20 0.00 1.01 0.00 0.00 58.87 59.46 1wfk n SER 10 Cb 0.25 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 61.88 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 8.90 1.24 -3.37 1.43 1.74 -1.26 -2.68 116.66 122.66 1wfk n ARG 11 Ca 0.37 -2.29 -0.36 0.00 -0.77 0.00 0.00 57.85 54.80 1wfk n ARG 11 Cb 0.49 0.61 -0.06 0.00 -1.02 0.00 0.00 32.46 32.48 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 1.18 1.38 0.00 0.00 4.19 0.14 -1.90 117.16 122.16 1wfk n TYR 13 Ca -0.08 -0.87 0.00 0.00 3.31 0.00 0.00 57.90 60.26 1wfk n TYR 13 Cb 0.52 -0.49 0.00 0.00 0.49 0.00 0.00 39.34 39.85 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 -0.08 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.92 1wfk n GLY 14 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.88 -0.20 -1.94 0.00 0.00 -0.80 -4.96 120.51 111.73 1wfk n ALA 16 Ca 0.00 0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 1wfk n ALA 16 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.36 4.31 0.07 0.00 0.11 -1.26 -4.54 120.40 116.73 1wfk s VAL 17 Ca 0.00 1.77 -0.30 0.00 -2.93 0.00 0.00 61.98 60.52 1wfk s VAL 17 Cb 0.00 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 1wfk s VAL 17 CO 0.00 0.52 1.01 -0.75 -3.33 0.00 0.00 175.10 172.55 1wfk s LYS 18 N -1.16 4.61 -0.15 1.54 2.20 -1.26 -0.46 119.74 125.06 1wfk s LYS 18 Ca 0.37 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.19 1wfk s LYS 18 Cb -0.24 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1wfk s LYS 18 CO 0.27 0.05 1.18 -0.06 -0.36 0.00 0.00 175.35 176.43 1wfk s PHE 19 N 0.44 3.09 0.28 4.03 0.08 -1.09 -4.77 117.98 120.04 1wfk s PHE 19 Ca 0.50 1.21 0.03 0.00 0.12 0.00 0.00 56.93 58.79 1wfk s PHE 19 Cb -0.24 -3.41 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 1wfk s PHE 19 CO 0.30 -1.21 0.24 0.95 -0.10 0.00 0.00 175.22 175.40 1wfk s THR 20 N 3.04 0.00 0.34 0.64 -4.23 0.31 -4.94 115.64 110.81 1wfk s THR 20 Ca 0.52 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1wfk s THR 20 Cb -0.20 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.51 1wfk s THR 20 CO 0.14 0.00 1.58 -0.07 -0.54 0.00 0.00 174.62 175.73 1wfk h LEU 21 N 2.32 -0.03 0.09 4.79 -0.00 -1.99 0.54 115.31 121.03 1wfk h LEU 21 Ca -0.29 0.27 -0.23 0.00 -0.00 0.00 0.00 57.88 57.63 1wfk h LEU 21 Cb 1.24 0.37 0.02 0.00 -0.00 0.00 0.00 40.66 42.29 1wfk h LEU 21 CO 0.43 -0.41 -0.96 -0.26 -0.00 0.00 0.00 178.44 177.24 1wfk h PHE 22 N 0.00 0.79 -3.44 1.13 -1.00 -1.97 -3.40 116.94 109.05 1wfk h PHE 22 Ca 0.74 -0.50 -0.75 0.00 2.81 0.00 0.00 57.97 60.28 1wfk h PHE 22 Cb 1.82 -0.06 -0.28 0.00 3.61 0.00 0.00 35.95 41.03 1wfk h PHE 22 CO -0.22 1.35 -0.22 0.21 -1.61 0.00 0.00 178.31 177.81 1wfk s LYS 23 N -2.91 2.90 0.89 1.51 2.47 0.19 -5.07 119.74 119.72 1wfk s LYS 23 Ca -0.12 -2.08 -0.11 0.00 -1.56 0.00 0.00 55.97 52.11 1wfk s LYS 23 Cb 0.04 -4.10 0.13 0.00 -1.46 0.00 0.00 37.83 32.43 1wfk s LYS 23 CO 0.88 -1.24 1.10 0.15 0.16 0.00 0.00 175.35 176.39 1wfk s LYS 24 N 0.84 1.30 -0.16 4.03 -0.14 -1.17 0.11 119.74 124.55 1wfk s LYS 24 Ca 0.10 1.13 -0.07 0.00 -1.36 0.00 0.00 55.97 55.78 1wfk s LYS 24 Cb -0.22 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 1wfk s LYS 24 CO -0.03 -2.30 0.08 -2.00 -0.76 0.00 0.00 175.35 170.34 1wfk s GLU 25 N -4.80 3.79 0.29 1.68 2.12 -1.26 -4.01 118.70 116.52 1wfk s GLU 25 Ca 0.64 -0.29 0.11 0.00 0.36 0.00 0.00 54.97 55.79 1wfk s GLU 25 Cb -0.20 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1wfk s GLU 25 CO 0.58 0.43 -0.16 0.71 -0.54 0.00 0.00 175.26 176.27 1wfk s TYR 26 N -0.06 2.27 0.04 5.30 1.51 0.22 -4.93 117.35 121.70 1wfk s TYR 26 Ca 0.07 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1wfk s TYR 26 Cb -0.12 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1wfk s TYR 26 CO 0.01 0.64 -0.16 0.20 -1.11 0.00 0.00 175.55 175.13 1wfk s GLY 27 N -3.52 0.87 0.51 0.71 0.00 -1.26 -0.60 107.32 104.03 1wfk s GLY 27 Ca 0.30 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1wfk s GLY 27 CO 0.15 -0.84 0.73 0.00 0.00 0.00 0.00 173.10 173.14 1wfk n LYS 29 N -2.24 0.34 0.00 0.00 4.76 -1.26 -4.00 118.16 115.77 1wfk n LYS 29 Ca 0.05 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 0.08 4.39 5.15 -1.26 -4.07 115.26 116.46 1wfk n ASN 30 Ca -0.26 0.60 -0.04 0.00 -0.60 0.00 0.00 54.58 54.29 1wfk n ASN 30 Cb 0.75 -0.28 0.17 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.43 3.70 0.00 0.00 -1.26 -5.06 105.19 103.03 1wfk n GLY 32 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.89 2.13 -0.11 1.61 0.52 -1.26 -4.82 118.95 112.12 1wfk s ARG 33 Ca 0.08 -1.95 -0.20 0.00 -0.52 0.00 0.00 55.73 53.14 1wfk s ARG 33 Cb -0.04 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1wfk s ARG 33 CO 0.18 -0.10 0.57 0.00 0.02 0.00 0.00 175.30 175.98 1wfk s ALA 34 N -2.64 3.44 0.14 2.13 0.00 -1.26 -1.26 121.76 122.30 1wfk s ALA 34 Ca 0.39 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1wfk s ALA 34 Cb 0.06 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1wfk s ALA 34 CO 0.21 -0.12 0.00 -0.06 0.00 0.00 0.00 175.76 175.79 1wfk s PHE 35 N 0.87 1.02 -0.07 0.00 0.08 0.23 0.24 117.98 120.35 1wfk s PHE 35 Ca 0.30 -1.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.21 1wfk s PHE 35 Cb -0.16 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1wfk s PHE 35 CO 0.13 -0.29 0.20 0.00 -0.10 0.00 0.00 175.22 175.16 1wfk n ASN 37 N 1.73 0.14 -0.02 0.00 2.85 -1.26 0.23 115.26 118.93 1wfk n ASN 37 Ca -0.17 0.84 -0.12 0.00 -0.11 0.00 0.00 54.58 55.02 1wfk n ASN 37 Cb 0.54 -0.41 -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 0.14 1.16 8.20 0.00 -1.92 -3.24 103.07 107.40 1wfk h GLY 38 Ca 0.51 -0.09 -0.30 0.00 0.00 0.00 0.00 47.33 47.45 1wfk h GLY 38 CO -0.30 0.08 -1.30 0.00 0.00 0.00 0.00 176.54 175.01 1wfk n LEU 40 N -3.81 8.09 -0.97 0.00 7.94 0.96 -2.64 117.00 126.57 1wfk n LEU 40 Ca -0.16 -4.52 -0.02 0.00 -1.11 0.00 0.00 56.01 50.21 1wfk n LEU 40 Cb 1.02 -1.44 0.16 0.00 0.53 0.00 0.00 43.42 43.70 1wfk n LEU 40 CO 0.58 2.03 0.31 -1.54 -1.11 0.00 0.00 177.39 177.66 1wfk n SER 41 N 2.47 2.52 -4.23 1.96 3.41 -1.22 -4.71 113.62 113.82 1wfk n SER 41 Ca 0.67 -3.86 -0.15 0.00 -0.26 0.00 0.00 58.87 55.27 1wfk n SER 41 Cb 0.30 -0.48 -0.11 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 -3.32 1.24 -0.02 7.33 0.40 -1.13 -5.04 117.98 117.44 1wfk s PHE 42 Ca 0.41 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1wfk s PHE 42 Cb 0.38 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 43.27 1wfk s PHE 42 CO -0.04 0.08 -0.08 -1.12 0.70 0.00 0.00 175.22 174.76 1wfk s SER 43 N -2.77 1.02 -0.07 1.36 0.01 -1.26 0.11 113.70 112.09 1wfk s SER 43 Ca 0.11 -0.15 -0.26 0.00 1.31 0.00 0.00 55.95 56.95 1wfk s SER 43 Cb -0.01 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.05 1wfk s SER 43 CO 0.01 0.06 0.60 0.00 0.41 0.00 0.00 173.24 174.33 1wfk s ALA 44 N 0.10 -1.55 -0.06 1.44 0.00 -0.74 -4.89 121.76 116.06 1wfk s ALA 44 Ca -0.01 1.19 -0.33 0.00 0.00 0.00 0.00 51.96 52.81 1wfk s ALA 44 Cb -0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 23.12 22.80 1wfk s ALA 44 CO 0.00 -0.34 1.90 1.28 0.00 0.00 0.00 175.76 178.60 1wfk n LEU 45 N 1.25 3.61 -4.53 0.00 4.77 -1.26 -2.46 117.00 118.38 1wfk n LEU 45 Ca -0.19 0.96 -0.36 0.00 -0.03 0.00 0.00 56.01 56.39 1wfk n LEU 45 Cb 0.57 -1.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1wfk n LEU 45 CO 0.21 0.00 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.33 1wfk s VAL 46 N 4.14 4.63 -2.00 4.08 1.01 -0.59 -4.80 120.40 126.87 1wfk s VAL 46 Ca 0.92 -0.07 0.14 0.00 0.00 0.00 0.00 61.98 62.96 1wfk s VAL 46 Cb -0.64 -3.14 0.40 0.00 0.00 0.00 0.00 36.38 33.00 1wfk s VAL 46 CO 0.49 0.37 1.25 -0.81 0.00 0.00 0.00 175.10 176.40 1wfk n PRO 47 N 4.46 0.49 -0.11 2.72 -0.04 -1.26 0.93 135.00 142.19 1wfk n PRO 47 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1wfk n PRO 47 Cb 0.52 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.94 0.68 -0.84 0.54 1.74 -1.26 -4.33 116.66 112.24 1wfk n ARG 48 Ca 0.10 0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1wfk n ARG 48 Cb 0.05 -1.53 0.20 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.94 4.38 -1.19 7.54 0.00 -1.02 -4.82 120.51 122.47 1wfk n ALA 49 Ca -0.38 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1wfk n ALA 49 Cb 1.09 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.29 0.52 2.55 0.00 0.00 -1.22 -3.97 105.19 102.77 1wfk n GLY 50 Ca 0.36 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1wfk n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wfk n ASN 51 N 1.71 -2.17 -4.46 1.61 2.85 0.27 -4.98 115.26 110.08 1wfk n ASN 51 Ca 0.00 -0.40 -0.32 0.00 -0.11 0.00 0.00 54.58 53.75 1wfk n ASN 51 Cb 0.17 -3.45 -0.13 0.00 1.24 0.00 0.00 39.78 37.60 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfk s THR 52 N -3.23 2.93 -0.98 -0.44 -4.23 -1.15 -4.62 115.64 103.92 1wfk s THR 52 Ca 0.01 -0.88 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 1wfk s THR 52 Cb -0.00 -2.17 -0.12 0.00 1.34 0.00 0.00 72.50 71.55 1wfk s THR 52 CO 0.47 0.52 2.11 -1.58 -0.54 0.00 0.00 174.62 175.59 1wfk s GLN 53 N -0.94 1.96 0.21 3.99 0.74 -1.26 -1.54 119.66 122.82 1wfk s GLN 53 Ca 0.12 -0.32 0.04 0.00 0.05 0.00 0.00 55.36 55.26 1wfk s GLN 53 Cb -0.11 -5.01 -0.03 0.00 1.10 0.00 0.00 33.01 28.96 1wfk s GLN 53 CO 0.02 -4.31 0.30 -0.65 -0.55 0.00 0.00 175.29 170.10 1wfk s GLN 54 N 7.73 3.33 -0.30 1.67 -1.52 -1.03 -4.67 119.66 124.87 1wfk s GLN 54 Ca 0.78 -0.76 -0.28 0.00 -1.95 0.00 0.00 55.36 53.15 1wfk s GLN 54 Cb -0.07 -2.85 -0.03 0.00 -0.22 0.00 0.00 33.01 29.85 1wfk s GLN 54 CO 0.09 0.46 1.94 0.15 -0.25 0.00 0.00 175.29 177.68 1wfk s LYS 55 N -3.65 3.25 0.34 2.91 -0.14 -1.26 -1.80 119.74 119.38 1wfk s LYS 55 Ca 0.34 1.62 0.09 0.00 -1.36 0.00 0.00 55.97 56.66 1wfk s LYS 55 Cb -0.10 -4.26 -0.06 0.00 -1.68 0.00 0.00 37.83 31.74 1wfk s LYS 55 CO 0.28 -1.96 -0.02 0.14 -0.76 0.00 0.00 175.35 173.03 1wfk s VAL 56 N 7.43 2.55 0.54 3.17 -7.23 0.30 -4.10 120.40 123.05 1wfk s VAL 56 Ca 0.87 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.83 1wfk s VAL 56 Cb -0.26 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 1wfk s VAL 56 CO 0.34 -0.21 1.03 0.00 -0.31 0.00 0.00 175.10 175.95 1wfk n LYS 58 N -1.64 -0.14 0.00 0.00 3.00 -1.08 -0.56 118.16 117.74 1wfk n LYS 58 Ca 0.08 0.90 0.00 0.00 -0.00 0.00 0.00 58.31 59.29 1wfk n LYS 58 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.22 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 -3.68 0.00 -0.33 1.64 7.27 -1.26 -1.20 117.38 119.82 1wfk n GLN 59 Ca 0.01 0.79 -0.04 0.00 0.07 0.00 0.00 57.00 57.82 1wfk n GLN 59 Cb 0.08 -1.27 0.01 0.00 2.41 0.00 0.00 30.24 31.47 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 0.36 0.15 0.00 -0.00 0.50 0.38 115.15 116.47 1wfk h HIS 61 Ca 0.29 0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 60.32 1wfk h HIS 61 Cb 0.57 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1wfk h HIS 61 CO -0.82 -0.04 -1.84 1.15 -0.00 0.00 0.00 177.93 176.38 1wfk h THR 62 N 0.14 0.79 -0.82 6.26 2.02 0.25 -3.23 112.91 118.32 1wfk h THR 62 Ca 0.69 -2.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1wfk h THR 62 Cb 2.30 2.62 -0.04 0.00 -1.74 0.00 0.00 68.15 71.30 1wfk h THR 62 CO -0.22 0.86 0.51 0.40 0.37 0.00 0.00 175.52 177.44 1wfk h ILE 63 N 0.03 1.22 0.00 3.11 2.04 0.25 1.43 117.51 125.60 1wfk h ILE 63 Ca -0.38 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1wfk h ILE 63 Cb 2.02 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1wfk h ILE 63 CO 0.12 0.23 0.00 -0.07 0.00 0.00 0.00 178.15 178.42 1wfk h LEU 64 N 1.13 0.00 0.00 1.44 3.38 -0.55 -2.67 115.31 118.04 1wfk h LEU 64 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wfk h LEU 64 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 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 -3.04 0.00 0.11 0.22 -2.24 -0.47 -4.39 114.28 104.46 1wfk n THR 65 Ca 0.03 -0.41 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 1wfk n THR 65 Cb 0.42 0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.37 -4.88 -0.78 0.11 0.20 -3.50 114.38 105.90 1wfk h ARG 66 Ca 0.00 -0.63 0.00 0.00 0.10 0.00 0.00 59.98 59.45 1wfk h ARG 66 Cb 0.88 0.23 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1wfk h ARG 66 CO 0.00 1.28 -0.37 0.41 0.10 0.00 0.00 179.97 181.38 1wfk n GLY 67 N 1.66 -1.20 3.19 0.08 0.00 -1.01 -4.92 105.19 103.00 1wfk n GLY 67 Ca -0.15 0.96 -0.37 0.00 0.00 0.00 0.00 46.02 46.47 1wfk n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfk n SER 68 N -0.45 -4.14 -2.42 1.61 3.41 -1.26 -4.93 113.62 105.45 1wfk n SER 68 Ca 0.09 0.42 -0.16 0.00 -0.26 0.00 0.00 58.87 58.95 1wfk n SER 68 Cb 0.39 -0.90 0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1wfk n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfk n SER 69 N 2.15 3.55 -3.88 4.04 7.64 -1.26 -5.06 113.62 120.80 1wfk n SER 69 Ca 0.04 -3.16 -0.21 0.00 1.01 0.00 0.00 58.87 56.54 1wfk n SER 69 Cb 0.52 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 1wfk n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfk s ASP 70 N -3.57 2.05 -0.31 6.43 -1.08 -1.26 -5.08 116.67 113.84 1wfk s ASP 70 Ca 0.41 -1.65 0.14 0.00 -0.52 0.00 0.00 52.55 50.93 1wfk s ASP 70 Cb 0.39 0.47 0.47 0.00 -1.46 0.00 0.00 42.92 42.80 1wfk s ASP 70 CO -0.03 -0.95 1.10 -0.46 0.52 0.00 0.00 175.17 175.35 1wfk n ASN 71 N -1.23 3.10 -4.44 -0.34 6.94 -1.26 -5.01 115.26 113.02 1wfk n ASN 71 Ca 0.00 -2.97 -0.44 0.00 -0.02 0.00 0.00 54.58 51.15 1wfk n ASN 71 Cb 0.64 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wfk s ALA 72 N -3.57 3.39 0.00 -2.53 0.00 -1.26 -4.93 121.76 112.86 1wfk s ALA 72 Ca 0.38 -2.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.35 1wfk s ALA 72 Cb 0.39 -3.98 0.11 0.00 0.00 0.00 0.00 23.12 19.64 1wfk s ALA 72 CO -0.03 -2.90 1.26 -1.54 0.00 0.00 0.00 175.76 172.55 1wfk s SER 73 N 3.56 -0.04 1.00 0.00 1.04 -1.26 -5.16 113.70 112.83 1wfk s SER 73 Ca 0.30 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.35 1wfk s SER 73 Cb -0.07 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1wfk s SER 73 CO -0.07 -0.37 -0.33 0.29 0.98 0.00 0.00 173.24 173.74 1wfk n LYS 74 N -0.62 -1.22 -1.35 4.02 4.01 -1.26 -4.57 118.16 117.16 1wfk n LYS 74 Ca -0.05 -0.35 -0.53 0.00 -0.51 0.00 0.00 58.31 56.87 1wfk n LYS 74 Cb 0.61 -1.38 -0.08 0.00 -0.51 0.00 0.00 35.03 33.68 1wfk n LYS 74 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1wfk n TRP 75 N -4.04 1.33 -4.06 2.13 -0.00 -1.26 -4.91 117.44 106.63 1wfk n TRP 75 Ca 0.01 0.89 -0.32 0.00 -0.00 0.00 0.00 57.50 58.09 1wfk n TRP 75 Cb 0.52 -1.73 -0.06 0.00 -0.00 0.00 0.00 31.31 30.04 1wfk n TRP 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wfk s SER 76 N 2.23 5.68 0.94 5.87 1.04 -1.26 -5.11 113.70 123.08 1wfk s SER 76 Ca 0.81 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 1wfk s SER 76 Cb -1.16 -1.60 0.16 0.00 0.10 0.00 0.00 66.02 63.52 1wfk s SER 76 CO 0.63 0.21 1.09 -2.16 0.98 0.00 0.00 173.24 174.00 1wfk s PRO 77 N -2.12 0.88 0.13 4.02 0.04 -1.26 -4.98 135.00 131.71 1wfk s PRO 77 Ca 0.27 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1wfk s PRO 77 Cb -0.12 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1wfk s PRO 77 CO 0.19 -2.46 1.35 -1.25 0.04 0.00 0.00 177.00 174.87 1wfk s PRO 78 N -4.95 4.34 0.26 0.56 0.04 -1.26 -4.88 135.00 129.12 1wfk s PRO 78 Ca 0.64 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.86 1wfk s PRO 78 Cb -0.18 -3.25 0.92 0.00 0.04 0.00 0.00 34.50 32.03 1wfk s PRO 78 CO 0.57 -0.38 1.14 0.00 0.04 0.00 0.00 177.00 178.37 1wfk n GLN 79 N 3.69 -0.04 -3.15 4.56 10.64 -1.26 -2.96 117.38 128.85 1wfk n GLN 79 Ca 0.10 1.00 -0.45 0.00 -1.83 0.00 0.00 57.00 55.82 1wfk n GLN 79 Cb 0.43 -1.78 -0.04 0.00 -0.86 0.00 0.00 30.24 27.99 1wfk n GLN 79 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1wfk s ASN 80 N -4.70 6.33 -0.15 2.61 -0.87 -1.26 -4.31 114.94 112.59 1wfk s ASN 80 Ca -0.07 -1.76 -0.15 0.00 -1.57 0.00 0.00 52.86 49.30 1wfk s ASN 80 Cb 0.24 -2.29 -0.05 0.00 -0.02 0.00 0.00 41.25 39.13 1wfk s ASN 80 CO 0.56 -0.99 -0.30 0.00 -2.57 0.00 0.00 177.10 173.80 1wfk n TYR 81 N 5.82 0.00 -4.68 2.20 4.19 -1.16 -5.03 117.16 118.51 1wfk n TYR 81 Ca -0.02 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 60.93 1wfk n TYR 81 Cb 0.44 -0.43 -0.14 0.00 0.49 0.00 0.00 39.34 39.69 1wfk n TYR 81 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1wfk s LYS 82 N -2.65 1.40 -0.84 2.98 0.00 -1.26 -5.05 119.74 114.32 1wfk s LYS 82 Ca -0.25 -0.90 -0.29 0.00 0.00 0.00 0.00 55.97 54.53 1wfk s LYS 82 Cb 0.03 -1.48 -0.18 0.00 0.00 0.00 0.00 37.83 36.20 1wfk s LYS 82 CO 0.37 0.38 2.60 0.43 0.00 0.00 0.00 175.35 179.13 1wfk n SER 83 N 1.96 0.88 0.00 0.03 7.64 -1.26 -4.57 113.62 118.31 1wfk n SER 83 Ca -0.17 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1wfk n SER 83 Cb 0.53 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 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 6.33 -1.39 0.00 0.23 0.00 -1.26 -4.96 105.19 104.14 1wfk n GLY 84 Ca 0.57 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 0.49 -0.95 1.61 -0.04 -1.26 -4.88 135.00 129.90 1wfk n PRO 85 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1wfk n PRO 85 Cb 0.00 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1wfk n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfk n SER 86 N -0.78 0.63 -4.58 3.54 7.64 -1.26 -4.89 113.62 113.92 1wfk n SER 86 Ca 0.06 0.61 -0.27 0.00 1.01 0.00 0.00 58.87 60.28 1wfk n SER 86 Cb 0.03 -0.54 0.12 0.00 -1.01 0.00 0.00 64.21 62.81 1wfk n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfk s SER 87 N 2.48 4.08 0.00 6.43 0.15 -1.26 -4.69 113.70 120.89 1wfk s SER 87 Ca 0.67 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1wfk s SER 87 Cb -0.91 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1wfk s SER 87 CO 0.46 -2.08 0.33 0.61 1.20 0.00 0.00 173.24 173.75