#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv s SER 2 N 0.00 3.82 1.16 1.61 1.04 -1.26 -5.14 113.70 114.93 1wfv s SER 2 Ca 0.00 -1.57 -0.13 0.00 0.48 0.00 0.00 55.95 54.73 1wfv s SER 2 Cb 0.00 -0.68 0.28 0.00 0.10 0.00 0.00 66.02 65.72 1wfv s SER 2 CO 0.00 -0.42 1.03 -0.94 0.98 0.00 0.00 173.24 173.90 1wfv s SER 3 N 1.73 1.10 0.00 7.02 1.04 -1.26 -5.03 113.70 118.31 1wfv s SER 3 Ca 0.10 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1wfv s SER 3 Cb -0.17 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1wfv s SER 3 CO -0.28 -4.10 0.00 0.61 0.98 0.00 0.00 173.24 170.45 1wfv n GLY 4 N 0.41 2.07 3.80 7.32 0.00 -1.26 -5.00 105.19 112.54 1wfv n GLY 4 Ca 0.03 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1wfv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfv n SER 5 N 0.00 -3.51 -3.96 1.61 7.64 -1.26 -4.88 113.62 109.26 1wfv n SER 5 Ca 0.00 -0.69 -0.35 0.00 1.01 0.00 0.00 58.87 58.84 1wfv n SER 5 Cb 0.00 -2.89 -0.06 0.00 -1.01 0.00 0.00 64.21 60.25 1wfv n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfv n SER 6 N -2.47 4.46 -3.34 6.43 7.64 -1.26 -4.93 113.62 120.15 1wfv n SER 6 Ca 0.04 -3.24 -0.25 0.00 1.01 0.00 0.00 58.87 56.43 1wfv n SER 6 Cb 0.51 -1.01 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 1wfv n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfv s GLY 7 N -0.90 0.87 -0.11 0.23 0.00 -1.26 -4.92 107.32 101.22 1wfv s GLY 7 Ca 0.31 -2.12 0.16 0.00 0.00 0.00 0.00 44.72 43.07 1wfv s GLY 7 CO -0.07 2.29 1.13 -1.06 0.00 0.00 0.00 173.10 175.39 1wfv n GLN 8 N 3.07 1.42 -0.24 2.90 6.02 -1.26 -5.06 117.38 124.23 1wfv n GLN 8 Ca 0.26 -2.41 -0.10 0.00 -0.01 0.00 0.00 57.00 54.74 1wfv n GLN 8 Cb 0.47 -1.41 0.09 0.00 1.02 0.00 0.00 30.24 30.41 1wfv n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wfv n ASP 9 N -1.29 -2.31 -3.25 1.08 9.92 -1.26 -4.93 116.55 114.50 1wfv n ASP 9 Ca 0.14 -0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.01 1wfv n ASP 9 Cb 0.60 -0.43 0.11 0.00 -0.64 0.00 0.00 41.12 40.76 1wfv n ASP 9 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1wfv n PHE 10 N -3.71 -2.17 -1.67 1.24 3.01 -1.26 -4.73 117.46 108.16 1wfv n PHE 10 Ca 0.04 -0.14 -0.50 0.00 1.01 0.00 0.00 57.45 57.86 1wfv n PHE 10 Cb 0.19 -0.77 -0.05 0.00 -0.01 0.00 0.00 39.48 38.83 1wfv n PHE 10 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wfv n ASP 11 N -2.18 2.87 -4.02 4.37 8.00 -1.26 -4.91 116.55 119.44 1wfv n ASP 11 Ca 0.05 1.04 -0.38 0.00 0.71 0.00 0.00 54.79 56.21 1wfv n ASP 11 Cb 0.22 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 39.98 1wfv n ASP 11 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wfv n TYR 12 N 5.05 3.82 -4.16 1.24 4.01 -1.26 -3.82 117.16 122.04 1wfv n TYR 12 Ca 0.22 -3.70 -0.23 0.00 -0.16 0.00 0.00 57.90 54.02 1wfv n TYR 12 Cb 0.24 -1.18 -0.05 0.00 -0.31 0.00 0.00 39.34 38.04 1wfv n TYR 12 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1wfv s PHE 13 N -1.91 3.00 0.18 -0.72 -0.12 -1.17 -5.00 117.98 112.25 1wfv s PHE 13 Ca 0.31 -0.12 0.04 0.00 -0.05 0.00 0.00 56.93 57.11 1wfv s PHE 13 Cb -0.01 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 40.97 1wfv s PHE 13 CO -0.04 0.54 0.24 0.95 -0.05 0.00 0.00 175.22 176.86 1wfv s THR 14 N -2.07 4.91 0.01 -4.49 -4.23 -1.26 -1.34 115.64 107.17 1wfv s THR 14 Ca 0.32 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1wfv s THR 14 Cb -0.08 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1wfv s THR 14 CO 0.23 -0.18 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.31 1wfv s VAL 15 N -1.84 3.13 -0.12 2.29 1.01 0.10 -4.86 120.40 120.10 1wfv s VAL 15 Ca 0.33 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1wfv s VAL 15 Cb -0.10 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wfv s VAL 15 CO 0.26 0.41 0.02 -0.62 0.00 0.00 0.00 175.10 175.17 1wfv s ASP 16 N -1.29 2.10 0.27 3.32 2.15 -1.26 -3.04 116.67 118.92 1wfv s ASP 16 Ca 0.15 -0.38 -0.11 0.00 0.43 0.00 0.00 52.55 52.64 1wfv s ASP 16 Cb -0.11 -0.49 -0.00 0.00 -0.30 0.00 0.00 42.92 42.02 1wfv s ASP 16 CO 0.05 -0.24 0.49 -0.04 -0.17 0.00 0.00 175.17 175.26 1wfv s MET 17 N 1.94 1.64 0.47 4.34 -1.94 -1.09 -4.98 119.30 119.67 1wfv s MET 17 Ca 0.03 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1wfv s MET 17 Cb -0.14 0.47 -0.03 0.00 2.01 0.00 0.00 34.83 37.14 1wfv s MET 17 CO -0.06 -0.69 0.11 -1.21 -0.01 0.00 0.00 175.02 173.15 1wfv s GLU 18 N -3.78 2.16 0.32 2.03 2.02 -1.26 -1.87 118.70 118.32 1wfv s GLU 18 Ca 0.23 -2.16 -0.10 0.00 0.02 0.00 0.00 54.97 52.96 1wfv s GLU 18 Cb -0.01 -1.74 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 1wfv s GLU 18 CO 0.11 -0.28 0.67 0.21 0.02 0.00 0.00 175.26 175.99 1wfv s LYS 19 N -3.91 3.81 0.00 1.61 2.20 0.46 -4.56 119.74 119.36 1wfv s LYS 19 Ca 0.24 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1wfv s LYS 19 Cb 0.03 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1wfv s LYS 19 CO 0.13 0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 1wfv n GLY 20 N -0.72 1.17 0.08 5.54 0.00 0.18 -4.91 105.19 106.53 1wfv n GLY 20 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wfv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h ALA 21 N -0.28 0.07 -0.39 4.61 0.00 -1.98 -3.40 119.26 117.89 1wfv h ALA 21 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1wfv h ALA 21 Cb 0.00 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1wfv h ALA 21 CO 0.00 0.42 0.04 1.63 0.00 0.00 0.00 179.25 181.34 1wfv n LYS 22 N -4.60 2.67 0.00 0.00 4.76 -1.26 -5.06 118.16 114.67 1wfv n LYS 22 Ca -0.12 -3.00 0.00 0.00 -2.87 0.00 0.00 58.31 52.32 1wfv n LYS 22 Cb 0.34 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfv n GLY 23 N -0.68 0.65 1.57 0.72 0.00 -1.26 -4.79 105.19 101.40 1wfv n GLY 23 Ca 0.30 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1wfv n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wfv n PHE 24 N 4.14 0.37 -3.40 1.61 3.01 -1.26 0.51 117.46 122.44 1wfv n PHE 24 Ca 0.00 -1.20 -0.26 0.00 1.01 0.00 0.00 57.45 57.00 1wfv n PHE 24 Cb 0.00 -0.59 -0.05 0.00 -0.01 0.00 0.00 39.48 38.83 1wfv n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wfv n GLY 25 N 1.17 -0.23 3.36 1.37 0.00 -1.26 -3.83 105.19 105.77 1wfv n GLY 25 Ca 0.07 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1wfv n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wfv s PHE 26 N -2.49 -0.50 0.35 1.61 -0.12 -1.26 0.51 117.98 116.07 1wfv s PHE 26 Ca 0.48 1.20 0.09 0.00 -0.05 0.00 0.00 56.93 58.65 1wfv s PHE 26 Cb -0.28 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.23 1wfv s PHE 26 CO 0.63 -0.27 -0.03 0.45 -0.05 0.00 0.00 175.22 175.95 1wfv s SER 27 N 0.11 3.97 0.34 1.98 0.15 0.27 -4.99 113.70 115.53 1wfv s SER 27 Ca -0.01 -1.10 0.04 0.00 0.70 0.00 0.00 55.95 55.58 1wfv s SER 27 Cb -0.03 -0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 63.77 1wfv s SER 27 CO 0.01 -0.24 0.05 0.27 1.20 0.00 0.00 173.24 174.53 1wfv s ILE 28 N -2.57 1.35 0.15 6.45 -4.36 -1.26 -0.79 121.20 120.17 1wfv s ILE 28 Ca 0.34 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1wfv s ILE 28 Cb 0.02 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 1wfv s ILE 28 CO 0.18 -0.01 0.23 0.00 0.24 0.00 0.00 174.94 175.59 1wfv s ARG 29 N -3.85 1.10 1.41 0.37 1.70 0.31 -4.20 118.95 115.79 1wfv s ARG 29 Ca 0.36 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1wfv s ARG 29 Cb 0.09 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1wfv s ARG 29 CO 0.16 -0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1wfv n GLY 30 N -0.18 -1.74 0.00 3.88 0.00 -1.26 -1.19 105.19 104.69 1wfv n GLY 30 Ca -0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1wfv n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfv n GLY 31 N 0.00 3.14 0.30 -0.02 0.00 -0.56 -3.43 105.19 104.62 1wfv n GLY 31 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1wfv n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 32 N 0.00 0.00 -0.28 1.61 2.47 -0.77 0.29 114.38 117.71 1wfv h ARG 32 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1wfv h ARG 32 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1wfv h ARG 32 CO 0.00 0.00 -0.37 1.49 0.56 0.00 0.00 179.97 181.65 1wfv h GLU 33 N 0.00 0.62 -0.37 0.04 4.81 -1.87 -3.07 114.58 114.74 1wfv h GLU 33 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1wfv h GLU 33 Cb 0.72 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1wfv h GLU 33 CO 0.00 0.89 0.00 0.66 -0.73 0.00 0.00 179.01 179.83 1wfv n TYR 34 N -4.05 0.49 -3.37 0.92 4.01 0.88 -4.98 117.16 111.07 1wfv n TYR 34 Ca -0.01 -0.40 -0.16 0.00 -0.16 0.00 0.00 57.90 57.16 1wfv n TYR 34 Cb 0.50 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 39.60 1wfv n TYR 34 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wfv n LYS 35 N 0.83 -6.22 -3.86 -0.72 4.01 -0.33 -4.91 118.16 106.96 1wfv n LYS 35 Ca 0.14 0.82 -0.09 0.00 -0.51 0.00 0.00 58.31 58.66 1wfv n LYS 35 Cb 0.46 -5.73 -0.04 0.00 -0.51 0.00 0.00 35.03 29.20 1wfv n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wfv s MET 36 N -5.27 1.45 0.95 1.97 0.23 -1.01 -4.98 119.30 112.64 1wfv s MET 36 Ca 0.02 -1.04 -0.13 0.00 -1.03 0.00 0.00 55.69 53.51 1wfv s MET 36 Cb -0.00 0.50 0.16 0.00 -1.53 0.00 0.00 34.83 33.96 1wfv s MET 36 CO 0.70 -0.61 1.13 -0.51 -2.03 0.00 0.00 175.02 173.70 1wfv s ASP 37 N -2.94 3.10 -0.31 -1.18 1.01 -1.26 -1.50 116.67 113.60 1wfv s ASP 37 Ca 0.15 0.99 -0.17 0.00 0.71 0.00 0.00 52.55 54.23 1wfv s ASP 37 Cb -0.01 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 1wfv s ASP 37 CO 0.02 -2.81 0.45 -0.76 0.21 0.00 0.00 175.17 172.28 1wfv s LEU 38 N -6.20 4.21 0.37 1.23 1.43 -1.25 -3.24 118.68 115.22 1wfv s LEU 38 Ca 0.65 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1wfv s LEU 38 Cb -0.15 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.49 1wfv s LEU 38 CO 0.55 -0.33 0.00 -0.31 0.23 0.00 0.00 176.35 176.49 1wfv s TYR 39 N 2.22 2.51 -0.37 0.29 1.51 -0.34 0.38 117.35 123.55 1wfv s TYR 39 Ca 0.17 -0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1wfv s TYR 39 Cb -0.16 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1wfv s TYR 39 CO 0.11 0.46 1.30 0.08 -1.11 0.00 0.00 175.55 176.39 1wfv s VAL 40 N -2.61 4.09 0.00 0.71 1.01 -1.11 0.11 120.40 122.61 1wfv s VAL 40 Ca 0.35 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 1wfv s VAL 40 Cb 0.04 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.03 1wfv s VAL 40 CO 0.19 -0.67 1.00 0.25 0.00 0.00 0.00 175.10 175.87 1wfv h LEU 41 N 11.35 -0.70 -7.22 3.92 7.12 -1.13 -3.22 115.31 125.42 1wfv h LEU 41 Ca -0.26 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.69 1wfv h LEU 41 Cb 1.09 0.18 -0.20 0.00 -0.53 0.00 0.00 40.66 41.21 1wfv h LEU 41 CO 1.07 -0.34 -0.02 -0.60 -0.13 0.00 0.00 178.44 178.41 1wfv s ARG 42 N -4.30 0.87 0.09 1.25 3.00 -1.24 -4.85 118.95 113.76 1wfv s ARG 42 Ca -0.12 0.11 0.04 0.00 -1.00 0.00 0.00 55.73 54.76 1wfv s ARG 42 Cb 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 34.95 35.32 1wfv s ARG 42 CO 0.36 -0.25 0.04 -0.51 0.00 0.00 0.00 175.30 174.94 1wfv s LEU 43 N -1.14 3.62 -0.30 -0.88 1.43 -1.26 -0.56 118.68 119.59 1wfv s LEU 43 Ca -0.11 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 1wfv s LEU 43 Cb -0.02 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1wfv s LEU 43 CO 0.07 0.17 0.64 0.00 0.23 0.00 0.00 176.35 177.46 1wfv s ALA 44 N -1.36 3.55 -0.22 4.21 0.00 0.18 -4.92 121.76 123.20 1wfv s ALA 44 Ca 0.28 -0.58 0.23 0.00 0.00 0.00 0.00 51.96 51.89 1wfv s ALA 44 Cb -0.12 -3.11 1.20 0.00 0.00 0.00 0.00 23.12 21.09 1wfv s ALA 44 CO 0.20 -1.03 1.71 1.05 0.00 0.00 0.00 175.76 177.69 1wfv h GLU 45 N 8.12 0.00 0.00 0.00 4.11 -1.99 -0.77 114.58 124.05 1wfv h GLU 45 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1wfv h GLU 45 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wfv h GLU 45 CO 0.80 0.00 -0.01 -3.47 0.07 0.00 0.00 179.01 176.41 1wfv n ASP 46 N -2.31 1.96 -4.99 3.06 2.03 -1.26 -4.98 116.55 110.06 1wfv n ASP 46 Ca -0.01 -2.18 -0.20 0.00 0.52 0.00 0.00 54.79 52.92 1wfv n ASP 46 Cb 0.09 -0.09 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wfv s GLY 47 N -1.35 1.78 0.42 0.27 0.00 -0.30 -5.01 107.32 103.14 1wfv s GLY 47 Ca 0.07 -1.42 0.21 0.00 0.00 0.00 0.00 44.72 43.58 1wfv s GLY 47 CO 0.01 -1.23 1.85 -0.56 0.00 0.00 0.00 173.10 173.16 1wfv h PRO 48 N 0.46 0.00 0.32 2.90 0.13 -1.85 -3.27 132.00 130.69 1wfv h PRO 48 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1wfv h PRO 48 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wfv h PRO 48 CO 0.51 0.28 -0.15 0.00 -0.23 0.00 0.00 178.00 178.40 1wfv h ALA 49 N 1.72 -0.89 -0.39 -0.56 0.00 -1.80 -1.40 119.26 115.94 1wfv h ALA 49 Ca -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1wfv h ALA 49 Cb 0.70 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1wfv h ALA 49 CO 0.04 -0.86 0.79 0.97 0.00 0.00 0.00 179.25 180.18 1wfv h ILE 50 N -0.51 0.08 0.04 0.00 2.10 -1.71 1.39 117.51 118.90 1wfv h ILE 50 Ca -0.04 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.62 1wfv h ILE 50 Cb 0.32 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 36.32 1wfv h ILE 50 CO 0.07 0.00 -1.43 0.03 -1.08 0.00 0.00 178.15 175.75 1wfv h ARG 51 N 0.00 0.09 0.77 2.19 3.08 -1.56 -3.37 114.38 115.59 1wfv h ARG 51 Ca 0.18 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1wfv h ARG 51 Cb 1.76 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 1wfv h ARG 51 CO -0.00 0.89 -0.47 -0.97 -1.07 0.00 0.00 179.97 178.35 1wfv h ASN 52 N 0.03 -1.19 0.00 7.04 -1.24 0.30 -3.47 115.58 117.05 1wfv h ASN 52 Ca -0.19 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.89 1wfv h ASN 52 Cb 1.94 0.34 0.00 0.00 0.73 0.00 0.00 38.32 41.33 1wfv h ASN 52 CO 0.12 -0.73 0.00 0.61 -1.29 0.00 0.00 177.43 176.15 1wfv n GLY 53 N -1.61 2.77 0.45 1.57 0.00 -1.15 -4.83 105.19 102.39 1wfv n GLY 53 Ca -0.15 -0.67 0.35 0.00 0.00 0.00 0.00 46.02 45.55 1wfv n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 54 N 0.00 -0.01 -4.67 1.61 5.12 -1.26 -4.07 116.66 113.37 1wfv n ARG 54 Ca 0.00 0.85 -0.26 0.00 -1.93 0.00 0.00 57.85 56.51 1wfv n ARG 54 Cb 0.00 -1.82 -0.14 0.00 -1.16 0.00 0.00 32.46 29.34 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wfv s MET 55 N -4.55 1.44 0.23 5.56 0.23 -1.26 -4.95 119.30 116.00 1wfv s MET 55 Ca -0.04 -0.97 0.05 0.00 -1.03 0.00 0.00 55.69 53.69 1wfv s MET 55 Cb 0.21 -1.57 -0.02 0.00 -1.53 0.00 0.00 34.83 31.92 1wfv s MET 55 CO 0.63 0.40 0.17 0.54 -2.03 0.00 0.00 175.02 174.73 1wfv n ARG 56 N 1.81 0.36 -3.06 3.16 3.00 -1.26 -4.82 116.66 115.85 1wfv n ARG 56 Ca -0.17 -2.19 -0.39 0.00 -0.01 0.00 0.00 57.85 55.09 1wfv n ARG 56 Cb 0.53 1.67 -0.06 0.00 0.00 0.00 0.00 32.46 34.60 1wfv n ARG 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wfv s VAL 57 N -2.81 4.48 0.00 1.55 1.01 -1.26 -3.81 120.40 119.55 1wfv s VAL 57 Ca 0.23 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1wfv s VAL 57 Cb 0.01 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wfv s VAL 57 CO 0.17 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1wfv n GLY 58 N 1.52 0.74 3.93 4.51 0.00 -1.22 -4.85 105.19 109.82 1wfv n GLY 58 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1wfv n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfv s ASP 59 N -2.62 5.37 -0.22 1.61 1.01 -1.25 -4.21 116.67 116.35 1wfv s ASP 59 Ca 0.00 0.52 -0.03 0.00 0.71 0.00 0.00 52.55 53.75 1wfv s ASP 59 Cb 0.00 -1.43 0.00 0.00 1.01 0.00 0.00 42.92 42.50 1wfv s ASP 59 CO 0.00 -1.18 -0.06 -1.58 0.21 0.00 0.00 175.17 172.56 1wfv s GLN 60 N -4.99 3.23 -0.22 8.23 -0.44 -1.25 -2.75 119.66 121.47 1wfv s GLN 60 Ca 0.55 -0.71 -0.19 0.00 -2.50 0.00 0.00 55.36 52.51 1wfv s GLN 60 Cb -0.11 -2.97 -0.03 0.00 -1.64 0.00 0.00 33.01 28.27 1wfv s GLN 60 CO 0.43 -0.24 0.56 0.42 0.50 0.00 0.00 175.29 176.97 1wfv s ILE 61 N 1.43 5.06 -0.23 -2.34 1.01 0.16 -2.64 121.20 123.66 1wfv s ILE 61 Ca 0.05 1.03 0.10 0.00 0.00 0.00 0.00 60.65 61.82 1wfv s ILE 61 Cb -0.15 -3.88 -0.20 0.00 0.01 0.00 0.00 42.46 38.24 1wfv s ILE 61 CO -0.04 0.13 -0.08 2.30 0.00 0.00 0.00 174.94 177.24 1wfv n ILE 62 N 4.76 1.41 -4.79 2.92 -0.00 -0.47 -3.91 119.36 119.28 1wfv n ILE 62 Ca -0.03 -0.70 -0.29 0.00 -0.00 0.00 0.00 62.75 61.73 1wfv n ILE 62 Cb 0.50 -0.94 -0.14 0.00 -0.00 0.00 0.00 39.64 39.06 1wfv n ILE 62 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1wfv s GLU 63 N -2.49 1.69 -0.17 6.28 2.56 -1.14 -1.69 118.70 123.72 1wfv s GLU 63 Ca -0.22 -1.13 -0.04 0.00 0.00 0.00 0.00 54.97 53.58 1wfv s GLU 63 Cb 0.07 -1.91 0.06 0.00 2.00 0.00 0.00 34.13 34.35 1wfv s GLU 63 CO 0.70 0.49 0.07 0.42 -0.56 0.00 0.00 175.26 176.37 1wfv s ILE 64 N -0.85 0.16 -1.53 -3.70 1.01 -0.70 -0.97 121.20 114.62 1wfv s ILE 64 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1wfv s ILE 64 Cb -0.10 -0.74 0.09 0.00 0.01 0.00 0.00 42.46 41.72 1wfv s ILE 64 CO 0.03 -0.23 0.97 0.59 0.00 0.00 0.00 174.94 176.30 1wfv n ASN 65 N 5.19 -4.85 -1.41 3.58 3.02 0.10 -1.00 115.26 119.89 1wfv n ASN 65 Ca -0.08 -0.76 -0.10 0.00 -0.03 0.00 0.00 54.58 53.61 1wfv n ASN 65 Cb 0.48 -3.87 0.01 0.00 -0.61 0.00 0.00 39.78 35.79 1wfv n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfv n GLY 66 N -1.68 0.07 2.86 7.41 0.00 -1.25 -5.01 105.19 107.59 1wfv n GLY 66 Ca 0.04 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1wfv n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfv s GLU 67 N -4.89 0.96 -0.03 1.61 2.02 -0.17 -5.10 118.70 113.10 1wfv s GLU 67 Ca 0.10 -0.08 -0.33 0.00 0.02 0.00 0.00 54.97 54.68 1wfv s GLU 67 Cb -0.04 -1.09 -0.11 0.00 0.10 0.00 0.00 34.13 32.98 1wfv s GLU 67 CO 0.12 -0.19 1.89 -1.13 0.02 0.00 0.00 175.26 175.97 1wfv n SER 68 N 4.62 3.66 -2.83 -0.19 3.41 -1.26 -1.72 113.62 119.32 1wfv n SER 68 Ca -0.15 0.96 -0.34 0.00 -0.26 0.00 0.00 58.87 59.08 1wfv n SER 68 Cb 0.50 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wfv n THR 69 N 5.14 3.84 -0.08 6.66 -2.24 -0.68 -4.32 114.28 122.61 1wfv n THR 69 Ca 0.21 -3.82 -0.09 0.00 -2.27 0.00 0.00 64.05 58.08 1wfv n THR 69 Cb 0.33 -1.52 -0.10 0.00 -2.10 0.00 0.00 70.33 66.94 1wfv n THR 69 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wfv n ARG 70 N 0.41 1.23 -2.37 -0.78 3.00 -1.26 -4.66 116.66 112.22 1wfv n ARG 70 Ca 0.52 0.04 -0.20 0.00 -0.00 0.00 0.00 57.85 58.20 1wfv n ARG 70 Cb 0.39 -1.36 0.02 0.00 0.00 0.00 0.00 32.46 31.50 1wfv n ARG 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wfv n ASP 71 N -2.71 3.99 -4.18 6.15 -0.08 -1.26 -4.89 116.55 113.56 1wfv n ASP 71 Ca -0.26 -3.39 -0.25 0.00 -1.51 0.00 0.00 54.79 49.38 1wfv n ASP 71 Cb 0.91 -0.43 -0.15 0.00 2.34 0.00 0.00 41.12 43.80 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1wfv s MET 72 N -3.54 1.39 0.30 -0.67 1.00 -1.26 -4.97 119.30 111.54 1wfv s MET 72 Ca 0.44 -0.69 -0.05 0.00 0.00 0.00 0.00 55.69 55.39 1wfv s MET 72 Cb 0.40 -1.37 -0.05 0.00 0.00 0.00 0.00 34.83 33.81 1wfv s MET 72 CO -0.06 0.37 0.57 0.95 0.00 0.00 0.00 175.02 176.85 1wfv s THR 73 N -0.50 5.01 0.50 2.05 -4.23 -1.26 -0.30 115.64 116.91 1wfv s THR 73 Ca 0.06 0.09 0.41 0.00 -1.18 0.00 0.00 61.69 61.08 1wfv s THR 73 Cb -0.07 -3.73 0.62 0.00 1.34 0.00 0.00 72.50 70.65 1wfv s THR 73 CO -0.00 -0.33 1.58 -0.74 -0.54 0.00 0.00 174.62 174.59 1wfv h HIS 74 N 1.65 0.26 0.37 3.99 2.76 -1.84 0.42 115.15 122.77 1wfv h HIS 74 Ca -0.48 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.69 1wfv h HIS 74 Cb 1.19 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1wfv h HIS 74 CO 0.58 -0.14 -0.18 0.00 -1.30 0.00 0.00 177.93 176.89 1wfv h ALA 75 N 1.32 -0.50 -0.65 5.26 0.00 -1.92 -2.28 119.26 120.48 1wfv h ALA 75 Ca 0.90 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.77 1wfv h ALA 75 Cb 3.26 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 21.13 1wfv h ALA 75 CO -0.24 -0.65 0.01 -0.09 0.00 0.00 0.00 179.25 178.28 1wfv h ARG 76 N -0.76 0.12 -0.29 0.00 9.65 -0.53 -0.40 114.38 122.16 1wfv h ARG 76 Ca -0.05 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1wfv h ARG 76 Cb 0.52 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1wfv h ARG 76 CO 0.08 0.08 0.13 0.00 2.80 0.00 0.00 179.97 183.06 1wfv h ALA 77 N 1.60 0.35 0.00 2.80 0.00 -1.46 0.21 119.26 122.76 1wfv h ALA 77 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wfv h ALA 77 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wfv h ALA 77 CO -0.56 -0.26 0.00 0.82 0.00 0.00 0.00 179.25 179.25 1wfv h ILE 78 N 0.28 0.00 0.02 0.00 1.08 -0.52 -1.77 117.51 116.60 1wfv h ILE 78 Ca 0.12 -0.10 -0.34 0.00 -0.39 0.00 0.00 64.86 64.16 1wfv h ILE 78 Cb 0.06 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 1wfv h ILE 78 CO -0.10 0.00 -2.02 1.21 -0.69 0.00 0.00 178.15 176.55 1wfv n GLU 79 N -2.76 0.67 -0.01 2.37 2.13 -0.30 -4.09 120.64 118.67 1wfv n GLU 79 Ca -0.02 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 57.94 1wfv n GLU 79 Cb 0.11 -1.68 0.13 0.00 0.27 0.00 0.00 31.44 30.27 1wfv n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wfv h LEU 80 N 0.01 0.57 -1.25 4.31 3.38 0.16 0.43 115.31 122.92 1wfv h LEU 80 Ca -0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1wfv h LEU 80 Cb 2.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1wfv h LEU 80 CO 0.05 0.88 0.16 0.40 0.09 0.00 0.00 178.44 180.02 1wfv h ILE 81 N 0.46 1.19 0.00 1.22 2.04 -1.54 -2.39 117.51 118.49 1wfv h ILE 81 Ca 0.05 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1wfv h ILE 81 Cb 0.83 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1wfv h ILE 81 CO 0.07 0.23 -1.09 2.29 0.00 0.00 0.00 178.15 179.65 1wfv n LYS 82 N -4.34 0.18 0.06 2.37 2.85 -1.11 -4.20 118.16 113.97 1wfv n LYS 82 Ca 0.03 -0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 1wfv n LYS 82 Cb 0.17 -1.53 0.02 0.00 -0.65 0.00 0.00 35.03 33.04 1wfv n LYS 82 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wfv h SER 83 N 0.00 0.46 -0.28 -5.58 0.87 0.35 -3.26 113.55 106.11 1wfv h SER 83 Ca 0.00 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.12 1wfv h SER 83 Cb 0.64 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1wfv h SER 83 CO 0.00 1.07 -0.31 1.23 -0.53 0.00 0.00 176.83 178.29 1wfv h GLY 84 N 1.33 0.76 0.00 5.77 0.00 -1.62 -3.50 103.07 105.81 1wfv h GLY 84 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1wfv h GLY 84 CO 0.13 0.72 0.00 0.61 0.00 0.00 0.00 176.54 178.00 1wfv n GLY 85 N 0.20 0.44 0.09 4.60 0.00 -1.23 -4.77 105.19 104.51 1wfv n GLY 85 Ca -0.04 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wfv n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 86 N 0.00 0.51 -4.16 1.61 1.74 -1.26 -4.74 116.66 110.36 1wfv n ARG 86 Ca 0.00 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 1wfv n ARG 86 Cb 0.00 -1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.55 1wfv n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wfv s ARG 87 N -3.31 3.45 0.05 5.56 0.52 -1.26 0.18 118.95 124.12 1wfv s ARG 87 Ca 0.01 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 54.69 1wfv s ARG 87 Cb 0.11 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1wfv s ARG 87 CO 0.78 -0.03 -0.23 0.54 0.02 0.00 0.00 175.30 176.38 1wfv s VAL 88 N 1.05 1.90 -0.12 3.52 0.11 -0.78 -4.83 120.40 121.24 1wfv s VAL 88 Ca 0.01 -1.30 -0.03 0.00 -2.93 0.00 0.00 61.98 57.72 1wfv s VAL 88 Cb -0.15 -1.64 0.05 0.00 -1.53 0.00 0.00 36.38 33.11 1wfv s VAL 88 CO -0.00 0.28 0.07 -0.60 -3.33 0.00 0.00 175.10 171.51 1wfv s ARG 89 N -1.22 0.12 0.06 1.54 3.52 -1.26 -2.69 118.95 119.03 1wfv s ARG 89 Ca 0.10 0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.81 1wfv s ARG 89 Cb -0.09 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 1wfv s ARG 89 CO 0.02 -0.52 -0.17 -0.48 -0.81 0.00 0.00 175.30 173.33 1wfv s LEU 90 N 2.11 2.23 -0.34 -0.88 2.34 -1.17 0.02 118.68 122.99 1wfv s LEU 90 Ca 0.03 -0.57 -0.22 0.00 0.06 0.00 0.00 54.13 53.43 1wfv s LEU 90 Cb -0.14 -0.73 0.00 0.00 -0.56 0.00 0.00 46.19 44.76 1wfv s LEU 90 CO -0.07 0.04 0.73 -0.22 -1.06 0.00 0.00 176.35 175.77 1wfv s LEU 91 N -1.49 4.15 0.10 1.48 0.20 -0.14 0.00 118.68 122.98 1wfv s LEU 91 Ca 0.03 0.38 0.09 0.00 0.69 0.00 0.00 54.13 55.32 1wfv s LEU 91 Cb -0.09 -2.95 -0.04 0.00 -0.43 0.00 0.00 46.19 42.68 1wfv s LEU 91 CO 0.02 -0.64 -0.22 -0.22 -0.29 0.00 0.00 176.35 175.01 1wfv s LEU 92 N 2.92 2.52 -0.14 -0.68 2.96 -0.45 -1.37 118.68 124.45 1wfv s LEU 92 Ca 0.29 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1wfv s LEU 92 Cb -0.14 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1wfv s LEU 92 CO 0.15 0.20 -0.14 -1.59 -1.32 0.00 0.00 176.35 173.65 1wfv s LYS 93 N -1.90 3.32 0.15 1.98 -2.85 -1.08 -3.06 119.74 116.31 1wfv s LYS 93 Ca 0.16 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 54.44 1wfv s LYS 93 Cb -0.10 -2.61 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1wfv s LYS 93 CO 0.07 0.16 0.23 0.50 0.10 0.00 0.00 175.35 176.41 1wfv s ARG 94 N 0.48 3.26 0.00 1.78 3.00 -1.25 -3.94 118.95 122.27 1wfv s ARG 94 Ca -0.10 -0.69 0.00 0.00 -1.00 0.00 0.00 55.73 53.94 1wfv s ARG 94 Cb -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 31.93 1wfv s ARG 94 CO 0.05 0.51 0.00 0.41 0.00 0.00 0.00 175.30 176.27 1wfv n GLY 95 N -0.48 2.38 0.12 8.12 0.00 -1.26 -4.00 105.19 110.08 1wfv n GLY 95 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1wfv n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h THR 96 N 0.00 0.99 0.00 2.61 1.03 -1.96 -3.46 112.91 112.13 1wfv h THR 96 Ca 0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.98 1wfv h THR 96 Cb 0.00 2.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1wfv h THR 96 CO 0.00 0.57 0.00 0.61 -0.01 0.00 0.00 175.52 176.69 1wfv n GLY 97 N 1.26 1.13 3.21 2.99 0.00 -1.26 -5.07 105.19 107.44 1wfv n GLY 97 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfv s SER 98 N 0.27 0.12 0.00 1.61 1.04 -1.26 -5.12 113.70 110.37 1wfv s SER 98 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1wfv s SER 98 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1wfv s SER 98 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1wfv n GLY 99 N -0.06 0.66 3.64 7.32 0.00 -1.26 -4.76 105.19 110.72 1wfv n GLY 99 Ca -0.15 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1wfv n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfv s PRO 100 N -1.91 3.91 -1.21 1.61 0.04 -1.26 -4.92 135.00 131.27 1wfv s PRO 100 Ca 0.00 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 1wfv s PRO 100 Cb 0.00 -4.00 -0.02 0.00 0.04 0.00 0.00 34.50 30.53 1wfv s PRO 100 CO 0.00 -1.15 1.83 0.45 0.04 0.00 0.00 177.00 178.17 1wfv s SER 101 N 3.84 5.83 -0.28 6.66 0.15 -1.26 -4.82 113.70 123.82 1wfv s SER 101 Ca 0.70 -1.91 -0.19 0.00 0.70 0.00 0.00 55.95 55.24 1wfv s SER 101 Cb -0.26 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.58 1wfv s SER 101 CO 0.28 -2.22 0.89 -0.94 1.20 0.00 0.00 173.24 172.45 1wfv s SER 102 N 5.60 -0.63 0.00 5.45 1.04 -1.26 -5.36 113.70 118.54 1wfv s SER 102 Ca 0.62 1.07 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1wfv s SER 102 Cb 0.01 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.32 1wfv s SER 102 CO 0.09 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.75