#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 6.23 -0.28 1.61 0.01 -1.26 -5.05 113.70 114.96 1wfk s SER 2 Ca 0.00 0.25 -0.26 0.00 1.31 0.00 0.00 55.95 57.25 1wfk s SER 2 Cb 0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1wfk s SER 2 CO 0.00 -0.08 0.91 -0.44 0.41 0.00 0.00 173.24 174.04 1wfk s SER 3 N 1.40 6.86 0.00 2.44 0.01 -1.26 -4.69 113.70 118.46 1wfk s SER 3 Ca 0.13 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1wfk s SER 3 Cb -0.15 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1wfk s SER 3 CO 0.09 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1wfk n GLY 4 N 3.83 0.95 3.36 3.44 0.00 -1.26 -5.18 105.19 110.32 1wfk n GLY 4 Ca 0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1wfk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfk s SER 5 N 0.00 0.06 0.14 1.61 1.04 -1.26 -5.17 113.70 110.11 1wfk s SER 5 Ca 0.00 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.27 1wfk s SER 5 Cb 0.00 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1wfk s SER 5 CO 0.00 -0.96 0.24 -0.55 0.98 0.00 0.00 173.24 172.95 1wfk s SER 6 N -3.09 6.12 0.00 7.02 0.15 -1.26 -5.00 113.70 117.64 1wfk s SER 6 Ca 0.31 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1wfk s SER 6 Cb 0.04 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1wfk s SER 6 CO 0.10 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1wfk n GLY 7 N -0.39 -1.13 2.91 9.45 0.00 -1.26 -4.95 105.19 109.82 1wfk n GLY 7 Ca -0.07 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.78 1.91 0.61 1.61 1.00 -1.26 -5.10 119.30 113.29 1wfk s MET 8 Ca 0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 55.69 53.00 1wfk s MET 8 Cb 0.00 -3.17 0.14 0.00 0.00 0.00 0.00 34.83 31.80 1wfk s MET 8 CO 0.00 -1.14 0.83 0.39 0.00 0.00 0.00 175.02 175.11 1wfk n GLU 9 N 3.07 -0.69 -1.56 2.03 -0.58 -1.26 -4.91 120.64 116.73 1wfk n GLU 9 Ca 0.07 -1.40 -0.40 0.00 -0.42 0.00 0.00 57.16 55.01 1wfk n GLU 9 Cb 0.33 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.34 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfk n SER 10 N -3.46 2.64 -4.40 1.62 7.64 -1.26 -4.92 113.62 111.48 1wfk n SER 10 Ca 0.11 -0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 1wfk n SER 10 Cb 0.38 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.97 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 8.87 0.86 -3.19 1.43 1.74 -1.26 -2.83 116.66 122.28 1wfk n ARG 11 Ca 0.35 -3.37 -0.38 0.00 -0.77 0.00 0.00 57.85 53.69 1wfk n ARG 11 Cb 0.48 0.95 -0.06 0.00 -1.02 0.00 0.00 32.46 32.81 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 1.29 0.83 0.00 0.00 4.19 0.95 -1.53 117.16 122.89 1wfk n TYR 13 Ca -0.07 -0.60 0.00 0.00 3.31 0.00 0.00 57.90 60.54 1wfk n TYR 13 Cb 0.51 -0.36 0.00 0.00 0.49 0.00 0.00 39.34 39.98 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 -4.91 105.19 102.07 1wfk n GLY 14 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.89 -0.13 -2.70 0.00 0.00 -0.58 -4.94 120.51 111.27 1wfk n ALA 16 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1wfk n ALA 16 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.25 4.84 0.16 0.00 0.11 -1.26 -4.43 120.40 117.57 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 -4.29 -0.09 0.00 -1.53 0.00 0.00 36.38 30.46 1wfk s VAL 17 CO 0.00 0.08 1.47 -0.75 -3.33 0.00 0.00 175.10 172.57 1wfk s LYS 18 N 1.55 4.27 -0.24 1.54 2.20 -1.26 -1.71 119.74 126.09 1wfk s LYS 18 Ca 0.49 2.23 -0.29 0.00 -0.36 0.00 0.00 55.97 58.04 1wfk s LYS 18 Cb -0.19 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1wfk s LYS 18 CO 0.22 -0.50 1.25 -0.06 -0.36 0.00 0.00 175.35 175.90 1wfk s PHE 19 N 0.88 2.83 0.33 4.03 0.08 -1.13 -4.80 117.98 120.20 1wfk s PHE 19 Ca 0.66 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.73 1wfk s PHE 19 Cb -0.41 -3.69 -0.04 0.00 -0.57 0.00 0.00 43.02 38.32 1wfk s PHE 19 CO 0.33 -1.55 0.15 0.95 -0.10 0.00 0.00 175.22 175.01 1wfk s THR 20 N 3.90 0.44 0.30 0.64 -4.23 0.22 -4.95 115.64 111.97 1wfk s THR 20 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1wfk s THR 20 Cb -0.18 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.58 1wfk s THR 20 CO 0.18 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 175.76 1wfk h LEU 21 N 2.10 -0.53 -0.16 4.79 4.07 -1.99 0.50 115.31 124.09 1wfk h LEU 21 Ca -0.34 0.28 -0.19 0.00 0.08 0.00 0.00 57.88 57.71 1wfk h LEU 21 Cb 1.25 0.50 0.01 0.00 1.08 0.00 0.00 40.66 43.50 1wfk h LEU 21 CO 0.53 -0.35 -0.63 -0.26 -1.08 0.00 0.00 178.44 176.66 1wfk h PHE 22 N 0.01 0.94 -3.29 1.13 0.04 -1.97 -3.40 116.94 110.41 1wfk h PHE 22 Ca 0.58 -0.40 -0.74 0.00 2.80 0.00 0.00 57.97 60.21 1wfk h PHE 22 Cb 1.16 -0.15 -0.28 0.00 2.20 0.00 0.00 35.95 38.88 1wfk h PHE 22 CO -0.53 1.21 -0.29 0.21 -0.60 0.00 0.00 178.31 178.31 1wfk s LYS 23 N -3.80 2.74 1.02 1.51 2.47 0.18 -5.07 119.74 118.78 1wfk s LYS 23 Ca -0.11 -1.84 -0.12 0.00 -1.56 0.00 0.00 55.97 52.33 1wfk s LYS 23 Cb 0.08 -4.08 0.20 0.00 -1.46 0.00 0.00 37.83 32.56 1wfk s LYS 23 CO 0.87 -1.25 1.08 0.15 0.16 0.00 0.00 175.35 176.37 1wfk s LYS 24 N 1.27 0.27 -0.13 4.03 -0.14 -1.19 0.71 119.74 124.56 1wfk s LYS 24 Ca 0.06 0.61 -0.02 0.00 -1.36 0.00 0.00 55.97 55.26 1wfk s LYS 24 Cb -0.26 -1.71 -0.03 0.00 -1.68 0.00 0.00 37.83 34.16 1wfk s LYS 24 CO -0.00 -2.86 -0.05 -2.00 -0.76 0.00 0.00 175.35 169.67 1wfk s GLU 25 N -4.87 3.45 0.30 1.68 2.12 -1.26 -4.19 118.70 115.93 1wfk s GLU 25 Ca 0.66 -0.54 0.11 0.00 0.36 0.00 0.00 54.97 55.55 1wfk s GLU 25 Cb -0.20 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1wfk s GLU 25 CO 0.59 0.33 -0.11 0.71 -0.54 0.00 0.00 175.26 176.23 1wfk s TYR 26 N 0.11 2.41 0.05 5.30 1.51 0.23 -4.94 117.35 122.01 1wfk s TYR 26 Ca -0.02 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 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 0.64 -0.16 0.20 -1.11 0.00 0.00 175.55 175.15 1wfk s GLY 27 N -3.59 0.89 0.48 0.71 0.00 -1.26 -0.55 107.32 104.00 1wfk s GLY 27 Ca 0.32 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1wfk s GLY 27 CO 0.17 -0.89 0.69 0.00 0.00 0.00 0.00 173.10 173.06 1wfk n LYS 29 N -2.13 0.33 0.00 0.00 4.76 -1.26 -4.02 118.16 115.84 1wfk n LYS 29 Ca 0.04 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 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 -3.06 0.00 -0.00 4.39 5.15 -1.26 -4.09 115.26 116.38 1wfk n ASN 30 Ca -0.25 0.59 -0.07 0.00 -0.60 0.00 0.00 54.58 54.25 1wfk n ASN 30 Cb 0.74 -0.26 0.12 0.00 -0.53 0.00 0.00 39.78 39.85 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 -0.06 0.62 3.65 0.00 0.00 -1.26 -5.06 105.19 103.08 1wfk n GLY 32 Ca -0.01 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.72 2.04 -0.10 1.61 0.52 -1.26 -4.84 118.95 112.21 1wfk s ARG 33 Ca 0.03 -1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 53.10 1wfk s ARG 33 Cb -0.02 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1wfk s ARG 33 CO 0.07 -0.00 0.64 0.00 0.02 0.00 0.00 175.30 176.03 1wfk s ALA 34 N -2.62 3.40 0.11 2.13 0.00 -1.26 -1.39 121.76 122.13 1wfk s ALA 34 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.34 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 0.19 -0.15 -0.04 -0.06 0.00 0.00 0.00 175.76 175.70 1wfk s PHE 35 N 0.93 0.90 -0.05 0.00 0.08 0.29 -0.04 117.98 120.10 1wfk s PHE 35 Ca 0.34 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 1wfk s PHE 35 Cb -0.17 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1wfk s PHE 35 CO 0.15 -0.21 0.29 0.00 -0.10 0.00 0.00 175.22 175.35 1wfk n ASN 37 N 1.91 0.15 0.01 0.00 2.85 -1.26 0.24 115.26 119.17 1wfk n ASN 37 Ca -0.17 0.79 -0.12 0.00 -0.11 0.00 0.00 54.58 54.97 1wfk n ASN 37 Cb 0.53 -0.39 -0.07 0.00 1.24 0.00 0.00 39.78 41.10 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 0.07 1.39 8.20 0.00 -1.93 -3.16 103.07 107.63 1wfk h GLY 38 Ca 0.43 -0.04 -0.30 0.00 0.00 0.00 0.00 47.33 47.42 1wfk h GLY 38 CO -0.34 0.03 -1.32 0.00 0.00 0.00 0.00 176.54 174.92 1wfk n LEU 40 N -3.68 7.85 -1.23 0.00 7.94 0.97 -2.40 117.00 126.46 1wfk n LEU 40 Ca -0.13 -4.67 -0.07 0.00 -1.11 0.00 0.00 56.01 50.02 1wfk n LEU 40 Cb 1.03 -1.37 0.13 0.00 0.53 0.00 0.00 43.42 43.75 1wfk n LEU 40 CO 0.57 2.01 0.34 -1.54 -1.11 0.00 0.00 177.39 177.66 1wfk n SER 41 N 1.84 3.13 -4.19 1.96 3.41 -1.20 -4.70 113.62 113.87 1wfk n SER 41 Ca 0.62 -3.84 -0.13 0.00 -0.26 0.00 0.00 58.87 55.26 1wfk n SER 41 Cb 0.30 -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 -3.39 1.05 -0.01 7.33 0.40 -1.15 -5.03 117.98 117.17 1wfk s PHE 42 Ca 0.44 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1wfk s PHE 42 Cb 0.39 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.35 1wfk s PHE 42 CO -0.02 -0.03 -0.05 -1.12 0.70 0.00 0.00 175.22 174.70 1wfk s SER 43 N -2.84 0.66 -0.06 1.36 0.01 -1.26 0.10 113.70 111.67 1wfk s SER 43 Ca 0.10 -0.10 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 1wfk s SER 43 Cb 0.01 -0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.19 1wfk s SER 43 CO -0.01 0.04 0.66 0.00 0.41 0.00 0.00 173.24 174.34 1wfk s ALA 44 N 0.06 -1.71 -0.07 1.44 0.00 -0.80 -4.89 121.76 115.79 1wfk s ALA 44 Ca -0.00 1.29 -0.35 0.00 0.00 0.00 0.00 51.96 52.89 1wfk s ALA 44 Cb -0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 23.12 22.90 1wfk s ALA 44 CO -0.00 -0.36 1.79 1.28 0.00 0.00 0.00 175.76 178.46 1wfk n LEU 45 N 1.01 3.13 -4.45 0.00 4.77 -1.25 -2.52 117.00 117.69 1wfk n LEU 45 Ca -0.19 1.01 -0.36 0.00 -0.03 0.00 0.00 56.01 56.45 1wfk n LEU 45 Cb 0.57 -1.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.20 1wfk n LEU 45 CO 0.23 -0.20 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.09 1wfk s VAL 46 N 3.34 4.14 0.13 4.08 1.01 -0.25 -4.74 120.40 128.11 1wfk s VAL 46 Ca 0.91 -0.24 0.34 0.00 0.00 0.00 0.00 61.98 62.99 1wfk s VAL 46 Cb -0.77 -2.90 0.39 0.00 0.00 0.00 0.00 36.38 33.10 1wfk s VAL 46 CO 0.52 0.39 2.00 1.55 0.00 0.00 0.00 175.10 179.56 1wfk h PRO 47 N 7.78 0.00 -0.12 2.72 0.13 -1.92 0.65 132.00 141.24 1wfk h PRO 47 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1wfk h PRO 47 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wfk h PRO 47 CO 0.60 0.01 -0.79 0.00 -0.23 0.00 0.00 178.00 177.59 1wfk h ARG 48 N 0.00 0.67 0.00 0.86 3.08 -1.92 -3.26 114.38 113.81 1wfk h ARG 48 Ca -0.00 -0.57 -0.17 0.00 0.07 0.00 0.00 59.98 59.31 1wfk h ARG 48 Cb 0.50 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1wfk h ARG 48 CO 0.00 1.18 -1.18 0.00 -1.07 0.00 0.00 179.97 178.90 1wfk h ALA 49 N 0.65 0.64 0.00 0.04 0.00 -1.83 -3.48 119.26 115.28 1wfk h ALA 49 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1wfk h ALA 49 Cb 1.41 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wfk h ALA 49 CO 0.15 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1wfk n GLY 50 N 1.37 0.55 3.89 0.00 0.00 -0.55 -4.84 105.19 105.60 1wfk n GLY 50 Ca -0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1wfk n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wfk n ASN 51 N 0.00 -2.05 -4.22 1.61 6.94 0.22 -4.93 115.26 112.83 1wfk n ASN 51 Ca 0.00 -1.04 -0.30 0.00 -0.02 0.00 0.00 54.58 53.23 1wfk n ASN 51 Cb 0.00 -3.03 -0.16 0.00 -2.36 0.00 0.00 39.78 34.22 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wfk s THR 52 N -3.79 1.83 -1.01 5.53 -4.23 -1.17 -4.70 115.64 108.10 1wfk s THR 52 Ca 0.18 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.50 1wfk s THR 52 Cb -0.07 -1.56 -0.12 0.00 1.34 0.00 0.00 72.50 72.09 1wfk s THR 52 CO 0.89 0.51 2.07 -1.58 -0.54 0.00 0.00 174.62 175.97 1wfk s GLN 53 N -0.07 2.05 0.19 3.99 0.74 -1.26 -1.09 119.66 124.21 1wfk s GLN 53 Ca -0.04 -0.46 0.05 0.00 0.05 0.00 0.00 55.36 54.95 1wfk s GLN 53 Cb -0.13 -5.05 -0.04 0.00 1.10 0.00 0.00 33.01 28.89 1wfk s GLN 53 CO 0.03 -4.25 0.24 -0.65 -0.55 0.00 0.00 175.29 170.11 1wfk s GLN 54 N 7.51 3.18 -0.31 1.67 -1.52 -1.05 -4.67 119.66 124.48 1wfk s GLN 54 Ca 0.76 -0.79 -0.28 0.00 -1.95 0.00 0.00 55.36 53.10 1wfk s GLN 54 Cb -0.06 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.91 1wfk s GLN 54 CO 0.09 0.47 2.09 0.15 -0.25 0.00 0.00 175.29 177.84 1wfk s LYS 55 N -3.44 3.04 0.28 2.91 -0.14 -1.26 -1.91 119.74 119.22 1wfk s LYS 55 Ca 0.33 1.68 0.11 0.00 -1.36 0.00 0.00 55.97 56.73 1wfk s LYS 55 Cb -0.10 -4.34 -0.05 0.00 -1.68 0.00 0.00 37.83 31.66 1wfk s LYS 55 CO 0.26 -2.21 -0.11 0.14 -0.76 0.00 0.00 175.35 172.67 1wfk s VAL 56 N 8.38 2.86 0.59 3.17 -7.23 0.28 -4.11 120.40 124.35 1wfk s VAL 56 Ca 0.92 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1wfk s VAL 56 Cb -0.26 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1wfk s VAL 56 CO 0.33 -0.38 1.08 0.00 -0.31 0.00 0.00 175.10 175.82 1wfk n LYS 58 N -1.94 -0.14 0.00 0.00 3.00 -1.01 -0.66 118.16 117.42 1wfk n LYS 58 Ca 0.10 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 1wfk n LYS 58 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 -0.36 1.64 7.27 -1.26 -1.21 117.38 119.78 1wfk n GLN 59 Ca 0.01 0.75 -0.06 0.00 0.07 0.00 0.00 57.00 57.76 1wfk n GLN 59 Cb 0.08 -1.23 -0.03 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 -0.05 0.34 0.14 0.00 -0.00 0.25 0.44 115.15 116.28 1wfk h HIS 61 Ca 0.24 0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 60.28 1wfk h HIS 61 Cb 0.52 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1wfk h HIS 61 CO -0.90 -0.07 -1.85 1.15 -0.00 0.00 0.00 177.93 176.26 1wfk h THR 62 N 0.11 0.80 -0.63 6.26 2.02 0.27 -3.23 112.91 118.50 1wfk h THR 62 Ca 0.74 -2.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1wfk h THR 62 Cb 2.53 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 71.53 1wfk h THR 62 CO -0.23 0.86 0.27 0.40 0.37 0.00 0.00 175.52 177.18 1wfk h ILE 63 N 0.08 1.22 0.00 3.11 2.04 0.36 1.31 117.51 125.63 1wfk h ILE 63 Ca -0.37 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1wfk h ILE 63 Cb 2.06 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1wfk h ILE 63 CO 0.13 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.48 1wfk h LEU 64 N 0.91 0.00 0.00 1.44 3.38 -0.49 -3.08 115.31 117.47 1wfk h LEU 64 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wfk h LEU 64 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wfk h LEU 64 CO -0.02 0.00 -1.68 0.35 0.09 0.00 0.00 178.44 177.18 1wfk n THR 65 N -2.44 0.00 0.09 0.22 -2.24 -0.58 -4.20 114.28 105.13 1wfk n THR 65 Ca 0.04 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1wfk n THR 65 Cb 0.40 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.13 0.00 -0.78 0.11 0.17 -3.45 114.38 110.57 1wfk h ARG 66 Ca 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1wfk h ARG 66 Cb 0.73 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1wfk h ARG 66 CO 0.00 0.95 0.00 0.41 0.10 0.00 0.00 179.97 181.43 1wfk n GLY 67 N 0.98 0.61 3.61 0.08 0.00 -1.17 -5.08 105.19 104.21 1wfk n GLY 67 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1wfk n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfk s SER 68 N 0.25 -0.20 0.46 1.61 0.01 -1.26 -5.07 113.70 109.51 1wfk s SER 68 Ca 0.00 0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.21 1wfk s SER 68 Cb 0.00 0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.31 1wfk s SER 68 CO 0.00 -0.20 1.26 -0.24 0.41 0.00 0.00 173.24 174.48 1wfk n SER 69 N 0.53 2.44 -3.29 2.44 2.88 -1.26 -4.66 113.62 112.70 1wfk n SER 69 Ca -0.05 1.06 -0.36 0.00 -1.33 0.00 0.00 58.87 58.19 1wfk n SER 69 Cb 0.58 -1.51 -0.10 0.00 -0.75 0.00 0.00 64.21 62.43 1wfk n SER 69 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wfk n ASP 70 N -0.13 0.35 -4.44 -3.46 2.03 -1.26 -4.59 116.55 105.05 1wfk n ASP 70 Ca 0.08 0.28 -0.46 0.00 0.52 0.00 0.00 54.79 55.20 1wfk n ASP 70 Cb 0.41 -0.68 -0.11 0.00 -0.72 0.00 0.00 41.12 40.03 1wfk n ASP 70 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1wfk n ASN 71 N 6.99 1.15 -0.31 1.67 4.13 -1.26 -4.76 115.26 122.86 1wfk n ASN 71 Ca 0.46 0.22 0.16 0.00 1.68 0.00 0.00 54.58 57.10 1wfk n ASN 71 Cb 0.00 -1.11 0.34 0.00 -1.54 0.00 0.00 39.78 37.48 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfk h ALA 72 N 12.77 1.51 -2.12 5.41 0.00 -2.01 -3.41 119.26 131.40 1wfk h ALA 72 Ca -0.14 0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.36 1wfk h ALA 72 Cb 1.33 0.21 0.11 0.00 0.00 0.00 0.00 17.79 19.43 1wfk h ALA 72 CO 1.20 -0.43 0.24 0.45 0.00 0.00 0.00 179.25 180.72 1wfk n SER 73 N -5.11 1.72 -4.46 0.00 2.88 -1.26 -4.95 113.62 102.44 1wfk n SER 73 Ca 0.24 1.19 -0.38 0.00 -1.33 0.00 0.00 58.87 58.59 1wfk n SER 73 Cb 0.74 -1.34 -0.12 0.00 -0.75 0.00 0.00 64.21 62.74 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 -1.59 3.51 -0.03 -1.46 -0.14 -1.26 -5.08 119.74 113.70 1wfk s LYS 74 Ca 0.58 -0.59 0.04 0.00 -1.36 0.00 0.00 55.97 54.64 1wfk s LYS 74 Cb -0.67 -3.51 -0.00 0.00 -1.68 0.00 0.00 37.83 31.97 1wfk s LYS 74 CO 0.60 -0.32 -0.15 -0.46 -0.76 0.00 0.00 175.35 174.27 1wfk s TRP 75 N 1.64 1.42 0.07 3.18 -0.00 -1.26 -5.15 118.94 118.84 1wfk s TRP 75 Ca 0.05 -0.36 0.03 0.00 -0.00 0.00 0.00 56.10 55.83 1wfk s TRP 75 Cb -0.16 -0.96 -0.03 0.00 -0.00 0.00 0.00 33.47 32.32 1wfk s TRP 75 CO 0.06 -0.11 -0.10 -1.54 -0.00 0.00 0.00 176.95 175.26 1wfk s SER 76 N -0.02 1.28 0.92 5.86 1.04 -1.26 -5.16 113.70 116.36 1wfk s SER 76 Ca -0.01 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.64 1wfk s SER 76 Cb -0.09 0.00 0.14 0.00 0.10 0.00 0.00 66.02 66.17 1wfk s SER 76 CO 0.01 -0.19 1.09 -2.16 0.98 0.00 0.00 173.24 172.97 1wfk s PRO 77 N -2.04 1.09 0.41 4.02 0.04 -1.26 -5.00 135.00 132.25 1wfk s PRO 77 Ca -0.03 0.76 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 1wfk s PRO 77 Cb -0.07 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1wfk s PRO 77 CO 0.01 -2.34 1.18 -1.25 0.04 0.00 0.00 177.00 174.64 1wfk s PRO 78 N -4.94 3.98 0.63 0.56 0.04 -1.26 -4.87 135.00 129.14 1wfk s PRO 78 Ca 0.64 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.76 1wfk s PRO 78 Cb -0.18 -2.63 1.03 0.00 0.04 0.00 0.00 34.50 32.76 1wfk s PRO 78 CO 0.57 -0.39 1.53 -0.56 0.04 0.00 0.00 177.00 178.19 1wfk h GLN 79 N 2.52 0.00 -3.01 4.56 3.07 -2.05 -2.98 115.11 117.22 1wfk h GLN 79 Ca -0.49 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 57.63 1wfk h GLN 79 Cb 1.24 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.40 1wfk h GLN 79 CO 0.62 0.00 -0.71 0.54 0.09 0.00 0.00 178.83 179.37 1wfk s ASN 80 N -4.05 3.76 -0.66 0.06 4.22 -1.26 -4.96 114.94 112.05 1wfk s ASN 80 Ca -0.03 -2.97 -0.02 0.00 -2.14 0.00 0.00 52.86 47.70 1wfk s ASN 80 Cb 0.10 -1.20 0.44 0.00 1.28 0.00 0.00 41.25 41.88 1wfk s ASN 80 CO 0.35 -0.22 1.99 0.00 -2.04 0.00 0.00 177.10 177.19 1wfk n TYR 81 N 3.10 3.20 -3.68 1.54 9.36 -1.13 -4.88 117.16 124.67 1wfk n TYR 81 Ca 0.12 -2.95 -0.10 0.00 3.32 0.00 0.00 57.90 58.30 1wfk n TYR 81 Cb 0.36 -1.38 -0.10 0.00 -0.63 0.00 0.00 39.34 37.58 1wfk n TYR 81 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1wfk s LYS 82 N -3.84 0.35 -0.29 2.98 2.36 -1.26 -5.10 119.74 114.95 1wfk s LYS 82 Ca 0.63 0.89 -0.19 0.00 -2.55 0.00 0.00 55.97 54.75 1wfk s LYS 82 Cb 0.50 0.12 0.14 0.00 -1.05 0.00 0.00 37.83 37.54 1wfk s LYS 82 CO -0.04 -0.20 1.03 -1.54 1.55 0.00 0.00 175.35 176.14 1wfk s SER 83 N 1.92 -0.45 0.00 1.43 1.04 -1.26 -5.15 113.70 111.23 1wfk s SER 83 Ca -0.06 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1wfk s SER 83 Cb -0.10 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1wfk s SER 83 CO -0.13 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wfk n GLY 84 N 3.20 0.28 3.56 7.32 0.00 -1.26 -4.99 105.19 113.30 1wfk n GLY 84 Ca -0.17 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.04 2.55 -0.00 1.61 0.04 -1.26 -4.81 135.00 132.09 1wfk s PRO 85 Ca 0.00 -0.29 -0.25 0.00 0.04 0.00 0.00 61.00 60.51 1wfk s PRO 85 Cb 0.00 -5.06 -0.17 0.00 0.04 0.00 0.00 34.50 29.31 1wfk s PRO 85 CO 0.00 -3.38 1.24 0.66 0.04 0.00 0.00 177.00 175.56 1wfk h SER 86 N 11.30 -0.21 -1.93 6.66 4.64 -2.02 -3.36 113.55 128.63 1wfk h SER 86 Ca 0.10 -0.27 -0.69 0.00 -0.47 0.00 0.00 61.79 60.46 1wfk h SER 86 Cb 1.01 0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.00 1wfk h SER 86 CO 1.21 0.18 1.27 -0.44 -0.87 0.00 0.00 176.83 178.18 1wfk s SER 87 N -5.29 6.76 0.00 4.97 0.01 -1.26 -5.22 113.70 113.67 1wfk s SER 87 Ca -0.14 -2.27 0.06 0.00 1.31 0.00 0.00 55.95 54.91 1wfk s SER 87 Cb 0.02 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.85 1wfk s SER 87 CO 0.58 -1.06 0.70 0.61 0.41 0.00 0.00 173.24 174.48