#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv n SER 2 N 0.00 6.10 -4.29 1.61 7.64 -1.26 -4.97 113.62 118.45 1wfv n SER 2 Ca 0.00 -2.87 -0.37 0.00 1.01 0.00 0.00 58.87 56.63 1wfv n SER 2 Cb 0.00 -1.13 0.04 0.00 -1.01 0.00 0.00 64.21 62.11 1wfv n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfv n SER 3 N 0.87 -3.10 -2.71 6.43 3.41 -1.26 -4.97 113.62 112.29 1wfv n SER 3 Ca 0.26 0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 59.33 1wfv n SER 3 Cb 0.58 -0.99 0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 4 N 2.34 -0.03 3.51 5.00 0.00 -1.26 -4.97 105.19 109.78 1wfv n GLY 4 Ca 0.07 0.27 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfv n SER 5 N 0.54 -1.35 -4.05 1.61 2.88 -1.26 -4.83 113.62 107.16 1wfv n SER 5 Ca 0.03 -0.57 -0.34 0.00 -1.33 0.00 0.00 58.87 56.66 1wfv n SER 5 Cb 0.71 -1.22 -0.09 0.00 -0.75 0.00 0.00 64.21 62.86 1wfv n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfv s SER 6 N -2.55 5.47 0.01 -3.46 0.01 -1.26 -4.96 113.70 106.96 1wfv s SER 6 Ca 0.48 -3.50 0.00 0.00 1.31 0.00 0.00 55.95 54.24 1wfv s SER 6 Cb -0.28 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1wfv s SER 6 CO 0.59 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1wfv n GLY 7 N 2.58 0.96 3.63 3.44 0.00 -1.26 -4.94 105.19 109.59 1wfv n GLY 7 Ca 0.17 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1wfv n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wfv s GLN 8 N 0.00 3.75 0.00 1.61 -2.07 -1.26 -4.93 119.66 116.76 1wfv s GLN 8 Ca 0.00 1.88 0.00 0.00 -1.82 0.00 0.00 55.36 55.42 1wfv s GLN 8 Cb 0.00 -4.11 0.00 0.00 -1.09 0.00 0.00 33.01 27.81 1wfv s GLN 8 CO 0.00 -1.36 0.42 -0.25 -1.32 0.00 0.00 175.29 172.78 1wfv n ASP 9 N 8.80 0.00 -3.65 12.60 8.00 -1.26 -4.78 116.55 136.26 1wfv n ASP 9 Ca 0.21 0.52 -0.04 0.00 0.71 0.00 0.00 54.79 56.18 1wfv n ASP 9 Cb 0.44 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 1wfv n ASP 9 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1wfv s PHE 10 N -1.31 -0.18 -1.13 1.24 -0.12 -1.26 -4.93 117.98 110.29 1wfv s PHE 10 Ca 0.00 0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 57.29 1wfv s PHE 10 Cb 0.00 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1wfv s PHE 10 CO 0.00 -0.09 0.95 -0.25 -0.05 0.00 0.00 175.22 175.78 1wfv n ASP 11 N 1.86 -4.27 -4.45 1.98 9.92 -1.26 -4.73 116.55 115.60 1wfv n ASP 11 Ca -0.11 -0.68 -0.43 0.00 -0.53 0.00 0.00 54.79 53.03 1wfv n ASP 11 Cb 0.57 -5.09 -0.03 0.00 -0.64 0.00 0.00 41.12 35.92 1wfv n ASP 11 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wfv s TYR 12 N -3.39 2.92 0.39 1.24 1.51 -1.26 -4.18 117.35 114.58 1wfv s TYR 12 Ca 0.23 -1.02 0.08 0.00 -1.01 0.00 0.00 57.07 55.35 1wfv s TYR 12 Cb -0.03 -4.29 -0.03 0.00 -0.11 0.00 0.00 41.96 37.50 1wfv s TYR 12 CO 0.74 -1.56 0.31 -0.59 -1.11 0.00 0.00 175.55 173.34 1wfv s PHE 13 N 3.31 2.73 0.22 2.71 -0.71 -0.96 -4.98 117.98 120.30 1wfv s PHE 13 Ca 0.28 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 1wfv s PHE 13 Cb -0.10 -2.02 -0.04 0.00 -1.21 0.00 0.00 43.02 39.65 1wfv s PHE 13 CO -0.01 0.02 0.19 0.95 -1.34 0.00 0.00 175.22 175.03 1wfv s THR 14 N -2.46 4.50 0.01 -4.49 -4.23 -1.26 -1.13 115.64 106.58 1wfv s THR 14 Ca 0.45 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 1wfv s THR 14 Cb -0.03 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 1wfv s THR 14 CO 0.26 -0.27 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.15 1wfv s VAL 15 N -2.01 2.37 -0.15 2.29 1.01 0.15 -4.84 120.40 119.23 1wfv s VAL 15 Ca 0.32 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1wfv s VAL 15 Cb -0.09 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1wfv s VAL 15 CO 0.25 0.46 0.03 -0.62 0.00 0.00 0.00 175.10 175.22 1wfv s ASP 16 N -1.01 2.43 0.29 3.32 2.15 -1.26 -3.26 116.67 119.34 1wfv s ASP 16 Ca 0.12 -0.57 -0.07 0.00 0.43 0.00 0.00 52.55 52.45 1wfv s ASP 16 Cb -0.10 -0.50 -0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1wfv s ASP 16 CO 0.01 -0.28 0.46 -0.04 -0.17 0.00 0.00 175.17 175.16 1wfv s MET 17 N 1.93 1.72 0.47 4.34 -1.94 -1.08 -4.98 119.30 119.75 1wfv s MET 17 Ca 0.01 -1.52 0.04 0.00 -1.71 0.00 0.00 55.69 52.51 1wfv s MET 17 Cb -0.15 0.45 -0.04 0.00 2.01 0.00 0.00 34.83 37.10 1wfv s MET 17 CO -0.07 -0.71 0.03 -1.21 -0.01 0.00 0.00 175.02 173.05 1wfv s GLU 18 N -3.51 2.12 0.58 2.03 2.02 -1.26 -1.80 118.70 118.88 1wfv s GLU 18 Ca 0.27 -2.26 -0.07 0.00 0.02 0.00 0.00 54.97 52.93 1wfv s GLU 18 Cb -0.00 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.61 1wfv s GLU 18 CO 0.14 -0.25 0.91 0.21 0.02 0.00 0.00 175.26 176.29 1wfv s LYS 19 N -3.84 3.12 0.00 1.61 2.20 0.63 -4.55 119.74 118.91 1wfv s LYS 19 Ca 0.19 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1wfv s LYS 19 Cb 0.04 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1wfv s LYS 19 CO 0.10 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1wfv n GLY 20 N -2.57 1.81 0.07 5.54 0.00 0.36 -4.89 105.19 105.51 1wfv n GLY 20 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.86 0.07 -0.01 4.61 0.00 -1.98 -3.41 119.26 119.40 1wfv h ALA 21 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wfv h ALA 21 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wfv h ALA 21 CO 0.00 0.32 -0.13 0.36 0.00 0.00 0.00 179.25 179.79 1wfv n LYS 22 N -4.61 1.53 -3.81 0.00 0.00 -1.26 -5.09 118.16 104.92 1wfv n LYS 22 Ca -0.13 -0.78 0.00 0.00 -0.00 0.00 0.00 58.31 57.41 1wfv n LYS 22 Cb 0.36 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfv n GLY 23 N 0.78 -0.68 1.50 2.58 0.00 -1.26 -4.95 105.19 103.16 1wfv n GLY 23 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 7.28 0.47 -3.74 1.61 3.01 -1.26 0.14 117.46 124.96 1wfv n PHE 24 Ca 0.00 -1.14 -0.31 0.00 1.01 0.00 0.00 57.45 57.01 1wfv n PHE 24 Cb 0.00 -0.56 -0.06 0.00 -0.01 0.00 0.00 39.48 38.85 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 0.91 -0.31 3.35 1.37 0.00 -1.26 -3.69 105.19 105.56 1wfv n GLY 25 Ca 0.09 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.66 -0.52 0.44 1.61 -0.12 -1.26 0.31 117.98 115.77 1wfv s PHE 26 Ca 0.61 1.25 0.07 0.00 -0.05 0.00 0.00 56.93 58.80 1wfv s PHE 26 Cb -0.36 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 1wfv s PHE 26 CO 0.75 -0.25 0.22 0.45 -0.05 0.00 0.00 175.22 176.33 1wfv s SER 27 N 0.37 4.48 0.25 1.98 0.15 -0.46 -5.01 113.70 115.46 1wfv s SER 27 Ca -0.01 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.52 1wfv s SER 27 Cb -0.04 -0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 1wfv s SER 27 CO -0.01 -0.67 0.11 0.27 1.20 0.00 0.00 173.24 174.14 1wfv s ILE 28 N -2.64 0.43 0.23 6.45 -4.36 -1.26 -2.30 121.20 117.75 1wfv s ILE 28 Ca 0.38 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.65 1wfv s ILE 28 Cb 0.02 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 1wfv s ILE 28 CO 0.21 0.00 0.44 0.00 0.24 0.00 0.00 174.94 175.83 1wfv s ARG 29 N -4.03 1.48 0.95 0.37 1.70 0.34 -4.22 118.95 115.54 1wfv s ARG 29 Ca 0.38 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 1wfv s ARG 29 Cb 0.07 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1wfv s ARG 29 CO 0.14 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.17 1wfv n GLY 30 N -0.36 -2.03 0.00 3.88 0.00 -1.26 -1.21 105.19 104.21 1wfv n GLY 30 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.17 2.41 0.35 -0.02 0.00 0.32 -3.66 105.19 104.43 1wfv n GLY 31 Ca 0.00 -1.96 0.17 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.38 1.61 2.47 -0.71 0.21 114.38 117.58 1wfv h ARG 32 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1wfv h ARG 32 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1wfv h ARG 32 CO 0.00 0.00 -0.07 0.93 0.56 0.00 0.00 179.97 181.39 1wfv h GLU 33 N 0.00 0.63 -0.16 0.04 4.39 -1.87 -2.92 114.58 114.69 1wfv h GLU 33 Ca 0.07 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wfv h GLU 33 Cb 0.76 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1wfv h GLU 33 CO -0.00 0.70 0.00 0.66 -1.16 0.00 0.00 179.01 179.21 1wfv n TYR 34 N -4.21 0.20 -3.29 4.33 4.02 0.49 -4.98 117.16 113.71 1wfv n TYR 34 Ca 0.01 -0.19 -0.17 0.00 -0.01 0.00 0.00 57.90 57.55 1wfv n TYR 34 Cb 0.31 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.69 1wfv n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1wfv n LYS 35 N 0.70 -6.01 -3.89 -0.72 4.76 0.14 -4.92 118.16 108.22 1wfv n LYS 35 Ca 0.10 0.68 -0.09 0.00 -2.87 0.00 0.00 58.31 56.13 1wfv n LYS 35 Cb 0.37 -5.25 -0.07 0.00 -1.84 0.00 0.00 35.03 28.24 1wfv n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wfv s MET 36 N -5.63 1.04 1.09 1.97 0.23 -0.89 -4.98 119.30 112.13 1wfv s MET 36 Ca 0.26 -1.05 -0.14 0.00 -1.03 0.00 0.00 55.69 53.74 1wfv s MET 36 Cb -0.12 0.38 0.24 0.00 -1.53 0.00 0.00 34.83 33.80 1wfv s MET 36 CO 0.59 -0.37 1.07 -0.51 -2.03 0.00 0.00 175.02 173.78 1wfv s ASP 37 N -2.91 1.78 -0.27 -1.18 1.01 -1.26 -0.52 116.67 113.31 1wfv s ASP 37 Ca 0.11 1.18 -0.15 0.00 0.71 0.00 0.00 52.55 54.40 1wfv s ASP 37 Cb 0.04 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 1wfv s ASP 37 CO -0.05 -3.66 0.38 -0.76 0.21 0.00 0.00 175.17 171.29 1wfv s LEU 38 N -6.79 4.05 0.34 1.23 1.43 -1.25 -3.16 118.68 114.53 1wfv s LEU 38 Ca 0.67 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1wfv s LEU 38 Cb -0.19 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1wfv s LEU 38 CO 0.59 -0.19 -0.06 -0.31 0.23 0.00 0.00 176.35 176.61 1wfv s TYR 39 N 2.08 2.29 -0.52 0.29 1.51 -0.35 0.32 117.35 122.97 1wfv s TYR 39 Ca 0.15 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 1wfv s TYR 39 Cb -0.16 -1.39 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1wfv s TYR 39 CO 0.10 0.45 1.11 0.08 -1.11 0.00 0.00 175.55 176.18 1wfv s VAL 40 N -2.77 4.19 0.08 0.71 1.01 -1.15 0.12 120.40 122.60 1wfv s VAL 40 Ca 0.33 0.98 -0.34 0.00 0.00 0.00 0.00 61.98 62.94 1wfv s VAL 40 Cb 0.05 -4.62 -0.17 0.00 0.00 0.00 0.00 36.38 31.64 1wfv s VAL 40 CO 0.16 -1.11 1.60 0.25 0.00 0.00 0.00 175.10 176.00 1wfv h LEU 41 N 11.35 -1.04 -7.03 3.92 7.12 -1.63 -2.99 115.31 125.01 1wfv h LEU 41 Ca -0.24 0.07 -0.06 0.00 0.13 0.00 0.00 57.88 57.77 1wfv h LEU 41 Cb 1.06 0.31 -0.19 0.00 -0.53 0.00 0.00 40.66 41.32 1wfv h LEU 41 CO 1.13 -0.62 0.16 -0.60 -0.13 0.00 0.00 178.44 178.39 1wfv s ARG 42 N -5.99 1.04 0.09 1.25 3.00 -1.26 -4.78 118.95 112.30 1wfv s ARG 42 Ca -0.18 0.24 0.02 0.00 -1.00 0.00 0.00 55.73 54.81 1wfv s ARG 42 Cb 0.04 0.49 -0.04 0.00 0.00 0.00 0.00 34.95 35.44 1wfv s ARG 42 CO 0.62 -0.32 0.16 -0.51 0.00 0.00 0.00 175.30 175.24 1wfv s LEU 43 N -1.19 4.05 -0.29 -0.88 1.43 -1.26 -1.35 118.68 119.18 1wfv s LEU 43 Ca -0.11 0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.84 1wfv s LEU 43 Cb -0.00 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.53 1wfv s LEU 43 CO 0.10 0.14 0.79 0.00 0.23 0.00 0.00 176.35 177.61 1wfv s ALA 44 N -1.52 3.55 0.60 4.21 0.00 0.15 -4.91 121.76 123.84 1wfv s ALA 44 Ca 0.32 -0.37 0.42 0.00 0.00 0.00 0.00 51.96 52.34 1wfv s ALA 44 Cb -0.12 -3.29 2.29 0.00 0.00 0.00 0.00 23.12 22.00 1wfv s ALA 44 CO 0.25 -1.14 2.29 1.05 0.00 0.00 0.00 175.76 178.22 1wfv h GLU 45 N 8.03 0.00 0.00 0.00 4.11 -1.98 -0.63 114.58 124.11 1wfv h GLU 45 Ca -0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.18 1wfv h GLU 45 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1wfv h GLU 45 CO 0.88 0.00 -0.37 -3.47 0.07 0.00 0.00 179.01 176.11 1wfv n ASP 46 N -3.00 1.83 -4.84 3.06 2.03 -1.26 -4.98 116.55 109.39 1wfv n ASP 46 Ca -0.03 -3.51 -0.21 0.00 0.52 0.00 0.00 54.79 51.56 1wfv n ASP 46 Cb 0.09 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.97 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 -3.00 1.88 0.46 0.27 0.00 -0.24 -5.02 107.32 101.67 1wfv s GLY 47 Ca 0.35 -1.73 0.25 0.00 0.00 0.00 0.00 44.72 43.59 1wfv s GLY 47 CO -0.04 -1.63 1.89 -0.56 0.00 0.00 0.00 173.10 172.76 1wfv h PRO 48 N 1.24 0.00 0.51 2.90 0.13 -1.86 -3.21 132.00 131.71 1wfv h PRO 48 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1wfv h PRO 48 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.59 0.20 -0.25 0.00 -0.23 0.00 0.00 178.00 178.31 1wfv h ALA 49 N 1.80 -0.71 0.00 -0.56 0.00 -1.80 -2.52 119.26 115.47 1wfv h ALA 49 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wfv h ALA 49 Cb 0.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wfv h ALA 49 CO 0.03 -0.66 0.37 0.97 0.00 0.00 0.00 179.25 179.96 1wfv h ILE 50 N -1.15 0.00 0.00 0.00 2.10 -1.73 0.79 117.51 117.52 1wfv h ILE 50 Ca -0.07 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.72 1wfv h ILE 50 Cb 0.53 0.52 -0.02 0.00 -1.09 0.00 0.00 36.82 36.76 1wfv h ILE 50 CO 0.12 0.00 -1.16 0.03 -1.08 0.00 0.00 178.15 176.05 1wfv h ARG 51 N 0.00 0.00 0.75 2.19 3.08 -1.54 -3.37 114.38 115.50 1wfv h ARG 51 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1wfv h ARG 51 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.79 1wfv h ARG 51 CO 0.00 0.35 -0.36 -0.97 -1.07 0.00 0.00 179.97 177.92 1wfv h ASN 52 N 0.00 -0.86 0.00 7.04 -1.24 0.11 -3.48 115.58 117.15 1wfv h ASN 52 Ca -0.12 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1wfv h ASN 52 Cb 1.53 0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.80 1wfv h ASN 52 CO 0.05 -0.49 0.00 0.61 -1.29 0.00 0.00 177.43 176.31 1wfv n GLY 53 N -0.87 2.85 0.48 1.57 0.00 -1.18 -4.84 105.19 103.19 1wfv n GLY 53 Ca -0.13 -0.72 0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 -5.15 1.61 1.74 -1.26 -4.08 116.66 109.49 1wfv n ARG 54 Ca 0.00 1.09 -0.29 0.00 -0.77 0.00 0.00 57.85 57.88 1wfv n ARG 54 Cb 0.00 -2.23 -0.16 0.00 -1.02 0.00 0.00 32.46 29.05 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfv s MET 55 N -4.98 2.08 0.37 5.56 0.23 -1.26 -4.97 119.30 116.33 1wfv s MET 55 Ca -0.06 -0.83 0.04 0.00 -1.03 0.00 0.00 55.69 53.81 1wfv s MET 55 Cb 0.27 -1.90 -0.03 0.00 -1.53 0.00 0.00 34.83 31.64 1wfv s MET 55 CO 0.75 0.43 0.14 1.03 -2.03 0.00 0.00 175.02 175.35 1wfv s ARG 56 N -0.36 1.80 -0.18 3.16 3.00 -1.26 -4.76 118.95 120.35 1wfv s ARG 56 Ca 0.04 -2.07 -0.24 0.00 0.00 0.00 0.00 55.73 53.46 1wfv s ARG 56 Cb -0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 34.95 34.41 1wfv s ARG 56 CO 0.01 -0.46 0.77 0.54 0.00 0.00 0.00 175.30 176.16 1wfv s VAL 57 N -3.34 4.92 0.00 3.52 0.11 -1.26 -3.79 120.40 120.56 1wfv s VAL 57 Ca 0.29 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 1wfv s VAL 57 Cb 0.04 -4.08 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 1wfv s VAL 57 CO 0.16 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1wfv n GLY 58 N 3.56 0.97 3.95 6.54 0.00 -1.13 -5.02 105.19 114.06 1wfv n GLY 58 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.55 4.97 -0.21 1.61 1.11 -1.25 -4.89 116.67 117.46 1wfv s ASP 59 Ca 0.00 0.24 -0.03 0.00 0.18 0.00 0.00 52.55 52.94 1wfv s ASP 59 Cb 0.00 -0.98 -0.01 0.00 1.07 0.00 0.00 42.92 43.01 1wfv s ASP 59 CO 0.00 -1.43 -0.05 -1.58 1.18 0.00 0.00 175.17 173.28 1wfv s GLN 60 N -5.06 3.37 -0.10 8.23 -0.44 -1.25 -2.91 119.66 121.51 1wfv s GLN 60 Ca 0.59 -0.63 -0.20 0.00 -2.50 0.00 0.00 55.36 52.62 1wfv s GLN 60 Cb -0.10 -2.97 -0.04 0.00 -1.64 0.00 0.00 33.01 28.26 1wfv s GLN 60 CO 0.42 -0.16 0.57 0.42 0.50 0.00 0.00 175.29 177.04 1wfv s ILE 61 N 1.37 5.13 -0.20 -2.34 1.01 0.15 -3.35 121.20 122.96 1wfv s ILE 61 Ca 0.04 1.15 0.08 0.00 0.00 0.00 0.00 60.65 61.92 1wfv s ILE 61 Cb -0.14 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1wfv s ILE 61 CO -0.03 0.29 0.26 2.30 0.00 0.00 0.00 174.94 177.76 1wfv n ILE 62 N 3.74 0.00 -4.06 2.92 -0.00 -0.76 -3.97 119.36 117.23 1wfv n ILE 62 Ca -0.05 -0.26 -0.07 0.00 -0.00 0.00 0.00 62.75 62.37 1wfv n ILE 62 Cb 0.51 0.69 -0.10 0.00 -0.00 0.00 0.00 39.64 40.75 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 -2.09 0.57 -0.09 6.28 2.12 -1.20 -2.83 118.70 121.45 1wfv s GLU 63 Ca 0.00 -1.10 -0.06 0.00 0.36 0.00 0.00 54.97 54.17 1wfv s GLU 63 Cb 0.05 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.68 1wfv s GLU 63 CO 0.32 -0.11 0.23 0.42 -0.54 0.00 0.00 175.26 175.58 1wfv s ILE 64 N -3.48 -0.02 -0.44 -3.70 1.01 -0.07 -2.39 121.20 112.10 1wfv s ILE 64 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1wfv s ILE 64 Cb 0.05 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1wfv s ILE 64 CO -0.08 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.48 1wfv n ASN 65 N 3.68 -1.88 -0.07 3.58 3.02 0.54 0.16 115.26 124.30 1wfv n ASN 65 Ca -0.20 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1wfv n ASN 65 Cb 0.55 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 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 -0.46 0.52 3.08 7.41 0.00 -1.17 -4.94 105.19 109.63 1wfv n GLY 66 Ca -0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1wfv n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfv s GLU 67 N -3.98 0.92 -0.57 1.61 -1.05 0.42 -5.09 118.70 110.96 1wfv s GLU 67 Ca 0.00 -0.48 -0.27 0.00 -0.15 0.00 0.00 54.97 54.07 1wfv s GLU 67 Cb 0.00 -0.89 -0.01 0.00 -0.44 0.00 0.00 34.13 32.79 1wfv s GLU 67 CO 0.00 0.24 1.75 -1.12 0.95 0.00 0.00 175.26 177.08 1wfv s SER 68 N -0.46 5.55 -0.70 0.83 0.01 -1.26 -0.89 113.70 116.77 1wfv s SER 68 Ca 0.04 0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.46 1wfv s SER 68 Cb -0.05 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.43 1wfv s SER 68 CO -0.00 -2.14 1.86 0.35 0.41 0.00 0.00 173.24 173.72 1wfv n THR 69 N 7.14 1.12 -4.61 1.44 -2.24 -1.13 -4.87 114.28 111.14 1wfv n THR 69 Ca 0.18 -1.05 -0.33 0.00 -2.27 0.00 0.00 64.05 60.58 1wfv n THR 69 Cb 0.51 -2.16 -0.13 0.00 -2.10 0.00 0.00 70.33 66.45 1wfv n THR 69 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfv s ARG 70 N 6.32 3.41 -1.40 -0.78 3.52 -1.26 -4.61 118.95 124.14 1wfv s ARG 70 Ca 0.66 -0.60 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 1wfv s ARG 70 Cb 0.09 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1wfv s ARG 70 CO 0.19 0.29 0.77 -0.25 -0.81 0.00 0.00 175.30 175.49 1wfv n ASP 71 N 3.34 -2.38 -4.47 -2.12 8.00 -1.26 -4.98 116.55 112.69 1wfv n ASP 71 Ca -0.18 -0.83 -0.31 0.00 0.71 0.00 0.00 54.79 54.18 1wfv n ASP 71 Cb 0.53 -3.87 -0.13 0.00 -0.02 0.00 0.00 41.12 37.63 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wfv s MET 72 N -6.28 2.20 0.16 -1.24 -1.94 -1.26 -4.94 119.30 106.00 1wfv s MET 72 Ca 0.25 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 53.23 1wfv s MET 72 Cb -0.12 -2.25 -0.06 0.00 2.01 0.00 0.00 34.83 34.40 1wfv s MET 72 CO 0.83 0.56 0.48 0.95 -0.01 0.00 0.00 175.02 177.83 1wfv s THR 73 N -0.88 5.00 0.55 2.05 -4.23 -1.26 -0.18 115.64 116.68 1wfv s THR 73 Ca 0.14 0.48 0.36 0.00 -1.18 0.00 0.00 61.69 61.48 1wfv s THR 73 Cb -0.11 -3.65 0.52 0.00 1.34 0.00 0.00 72.50 70.61 1wfv s THR 73 CO 0.04 0.12 1.33 1.57 -0.54 0.00 0.00 174.62 177.14 1wfv n HIS 74 N 0.40 0.00 0.06 3.99 -0.00 -1.24 0.10 115.22 118.53 1wfv n HIS 74 Ca -0.04 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.02 1wfv n HIS 74 Cb 0.52 -0.35 -0.09 0.00 -0.12 0.00 0.00 29.99 29.95 1wfv n HIS 74 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wfv h ALA 75 N 0.70 -0.19 -0.57 1.57 0.00 -1.91 -2.89 119.26 115.97 1wfv h ALA 75 Ca 0.66 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1wfv h ALA 75 Cb 3.14 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 20.89 1wfv h ALA 75 CO -0.01 -0.37 -0.23 -0.09 0.00 0.00 0.00 179.25 178.55 1wfv h ARG 76 N -0.66 -0.08 -0.57 0.00 9.65 0.32 0.27 114.38 123.31 1wfv h ARG 76 Ca -0.02 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1wfv h ARG 76 Cb 0.49 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 1wfv h ARG 76 CO 0.03 -0.06 0.23 0.00 2.80 0.00 0.00 179.97 182.98 1wfv h ALA 77 N 1.32 0.73 0.00 2.80 0.00 -1.59 0.21 119.26 122.74 1wfv h ALA 77 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wfv h ALA 77 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wfv h ALA 77 CO -0.63 -0.16 0.00 -0.89 0.00 0.00 0.00 179.25 177.57 1wfv n ILE 78 N -4.96 1.17 -0.04 0.00 2.08 -0.02 -2.25 119.36 115.36 1wfv n ILE 78 Ca 0.07 0.46 -0.21 0.00 0.56 0.00 0.00 62.75 63.62 1wfv n ILE 78 Cb 0.22 -1.39 -0.13 0.00 -0.75 0.00 0.00 39.64 37.59 1wfv n ILE 78 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1wfv n GLU 79 N -1.96 0.71 -0.28 0.38 4.07 0.62 -4.11 120.64 120.06 1wfv n GLU 79 Ca 0.01 0.30 -0.06 0.00 -0.06 0.00 0.00 57.16 57.35 1wfv n GLU 79 Cb 0.11 -1.68 0.06 0.00 -0.06 0.00 0.00 31.44 29.87 1wfv n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wfv h LEU 80 N -0.16 1.03 -1.57 4.31 3.38 -0.79 0.59 115.31 122.11 1wfv h LEU 80 Ca -0.44 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.49 1wfv h LEU 80 Cb 1.88 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 1wfv h LEU 80 CO -0.01 0.89 0.45 0.40 0.09 0.00 0.00 178.44 180.27 1wfv h ILE 81 N 1.10 0.88 0.00 1.22 2.04 -1.63 0.33 117.51 121.45 1wfv h ILE 81 Ca 0.26 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1wfv h ILE 81 Cb 0.15 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1wfv h ILE 81 CO -0.03 0.09 -1.46 2.29 0.00 0.00 0.00 178.15 179.04 1wfv n LYS 82 N -4.48 0.43 0.09 2.37 2.85 -0.90 -4.22 118.16 114.30 1wfv n LYS 82 Ca 0.12 -0.08 -0.09 0.00 -1.05 0.00 0.00 58.31 57.21 1wfv n LYS 82 Cb 0.40 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.18 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 0.19 -0.42 -5.58 0.87 0.16 -3.28 113.55 105.49 1wfv h SER 83 Ca 0.00 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.26 1wfv h SER 83 Cb 0.83 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1wfv h SER 83 CO 0.00 1.02 -0.26 1.23 -0.53 0.00 0.00 176.83 178.30 1wfv h GLY 84 N 2.12 0.99 0.00 5.77 0.00 -1.17 -3.50 103.07 107.28 1wfv h GLY 84 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1wfv h GLY 84 CO 0.14 0.84 0.00 0.61 0.00 0.00 0.00 176.54 178.13 1wfv n GLY 85 N -0.01 0.26 0.20 4.60 0.00 -1.24 -4.71 105.19 104.29 1wfv n GLY 85 Ca -0.01 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1wfv n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 86 N 0.00 0.00 -5.26 1.61 3.08 -1.92 -3.44 114.38 108.45 1wfv h ARG 86 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1wfv h ARG 86 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 29.77 1wfv h ARG 86 CO 0.00 0.00 -0.78 1.03 -1.07 0.00 0.00 179.97 179.15 1wfv s ARG 87 N -3.22 3.31 0.07 0.04 0.52 -1.26 0.23 118.95 118.63 1wfv s ARG 87 Ca 0.07 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1wfv s ARG 87 Cb 0.07 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1wfv s ARG 87 CO 0.64 0.13 -0.21 0.54 0.02 0.00 0.00 175.30 176.41 1wfv s VAL 88 N 0.55 1.74 -0.05 3.52 0.11 -0.74 -4.80 120.40 120.72 1wfv s VAL 88 Ca -0.09 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 57.58 1wfv s VAL 88 Cb -0.16 -1.54 0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1wfv s VAL 88 CO 0.04 0.11 0.09 -0.60 -3.33 0.00 0.00 175.10 171.41 1wfv s ARG 89 N -1.49 -0.03 0.04 1.54 3.52 -1.26 -2.65 118.95 118.63 1wfv s ARG 89 Ca 0.08 0.41 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 1wfv s ARG 89 Cb -0.09 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.89 1wfv s ARG 89 CO 0.03 -0.29 -0.10 -0.48 -0.81 0.00 0.00 175.30 173.65 1wfv s LEU 90 N 2.01 2.22 -0.53 -0.88 2.34 -1.20 0.20 118.68 122.84 1wfv s LEU 90 Ca 0.02 -0.50 -0.25 0.00 0.06 0.00 0.00 54.13 53.45 1wfv s LEU 90 Cb -0.12 -0.31 0.04 0.00 -0.56 0.00 0.00 46.19 45.24 1wfv s LEU 90 CO -0.04 -0.12 0.98 -0.22 -1.06 0.00 0.00 176.35 175.89 1wfv s LEU 91 N -1.39 3.97 0.14 1.48 0.20 -1.01 -0.67 118.68 121.41 1wfv s LEU 91 Ca -0.05 -0.15 0.09 0.00 0.69 0.00 0.00 54.13 54.70 1wfv s LEU 91 Cb -0.09 -2.99 -0.04 0.00 -0.43 0.00 0.00 46.19 42.64 1wfv s LEU 91 CO 0.01 -1.22 -0.12 -0.22 -0.29 0.00 0.00 176.35 174.51 1wfv s LEU 92 N 4.05 2.90 -0.04 -0.68 2.96 -0.29 -1.84 118.68 125.75 1wfv s LEU 92 Ca 0.34 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1wfv s LEU 92 Cb -0.11 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1wfv s LEU 92 CO 0.22 0.14 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.76 1wfv s LYS 93 N -2.48 0.81 -0.19 1.98 0.00 -1.21 -2.27 119.74 116.37 1wfv s LYS 93 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 55.97 56.05 1wfv s LYS 93 Cb -0.10 -0.83 -0.02 0.00 0.00 0.00 0.00 37.83 36.88 1wfv s LYS 93 CO 0.13 -0.08 -0.02 0.50 0.00 0.00 0.00 175.35 175.87 1wfv s ARG 94 N 0.93 3.56 -0.40 1.78 6.06 -1.26 -3.87 118.95 125.74 1wfv s ARG 94 Ca -0.11 -0.55 -0.07 0.00 -2.50 0.00 0.00 55.73 52.50 1wfv s ARG 94 Cb -0.14 -3.01 -0.22 0.00 0.06 0.00 0.00 34.95 31.64 1wfv s ARG 94 CO 0.00 0.02 3.46 0.41 -2.50 0.00 0.00 175.30 176.69 1wfv n GLY 95 N 4.19 3.32 0.12 8.12 0.00 -1.26 -4.35 105.19 115.32 1wfv n GLY 95 Ca -0.17 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 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 2.25 1.28 0.00 2.61 1.03 -1.97 -3.48 112.91 114.63 1wfv h THR 96 Ca 0.36 -2.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.30 1wfv h THR 96 Cb 1.21 2.95 0.00 0.00 -1.07 0.00 0.00 68.15 71.24 1wfv h THR 96 CO 0.62 0.69 0.00 0.61 -0.01 0.00 0.00 175.52 177.43 1wfv n GLY 97 N 1.69 0.77 2.39 2.99 0.00 -1.26 -4.90 105.19 106.86 1wfv n GLY 97 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfv n SER 98 N 0.00 -3.84 0.00 1.61 2.88 -1.26 -4.63 113.62 108.38 1wfv n SER 98 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1wfv n SER 98 Cb 0.00 -3.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.16 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfv n GLY 99 N -0.74 2.91 0.00 0.46 0.00 -1.26 -4.76 105.19 101.80 1wfv n GLY 99 Ca -0.14 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.06 1wfv n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfv n PRO 100 N 0.07 0.49 -0.27 1.61 -0.04 -1.26 -3.80 135.00 131.80 1wfv n PRO 100 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1wfv n PRO 100 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 1wfv n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfv h SER 101 N 0.00 -0.63 -1.49 3.54 0.87 -1.86 -3.39 113.55 110.58 1wfv h SER 101 Ca 0.00 0.23 -0.73 0.00 -1.23 0.00 0.00 61.79 60.06 1wfv h SER 101 Cb 0.00 0.45 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1wfv h SER 101 CO 0.00 -0.24 0.97 -0.24 -0.53 0.00 0.00 176.83 176.78 1wfv n SER 102 N -5.47 2.39 0.00 6.23 2.88 -1.25 -5.24 113.62 113.16 1wfv n SER 102 Ca 0.12 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wfv n SER 102 Cb 0.43 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42