#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 4.27 -0.40 1.61 0.01 -1.26 -4.99 113.70 112.94 1wfv s SER 2 Ca 0.00 -1.34 0.05 0.00 1.31 0.00 0.00 55.95 55.97 1wfv s SER 2 Cb 0.00 -1.43 0.44 0.00 0.21 0.00 0.00 66.02 65.24 1wfv s SER 2 CO 0.00 -0.21 1.32 -1.54 0.41 0.00 0.00 173.24 173.23 1wfv n SER 3 N 4.50 5.37 -0.70 2.44 3.41 -1.26 -5.08 113.62 122.31 1wfv n SER 3 Ca -0.13 -3.75 0.09 0.00 -0.26 0.00 0.00 58.87 54.81 1wfv n SER 3 Cb 0.43 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.67 -2.39 3.30 5.00 0.00 -1.26 -4.80 105.19 104.36 1wfv n GLY 4 Ca 0.46 -1.30 -0.56 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.35 0.23 -3.90 1.61 7.64 -1.26 -4.71 113.62 109.89 1wfv n SER 5 Ca -0.02 1.08 -0.41 0.00 1.01 0.00 0.00 58.87 60.53 1wfv n SER 5 Cb 0.33 -0.85 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 1wfv n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfv n SER 6 N 1.89 -1.69 -4.79 6.43 2.88 -1.26 -4.92 113.62 112.15 1wfv n SER 6 Ca 0.21 0.90 -0.36 0.00 -1.33 0.00 0.00 58.87 58.29 1wfv n SER 6 Cb 0.05 -0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 62.61 1wfv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfv s GLY 7 N -0.89 2.07 -0.75 0.46 0.00 -1.26 -5.03 107.32 101.91 1wfv s GLY 7 Ca 0.56 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 44.33 1wfv s GLY 7 CO 0.52 -0.24 1.70 -0.86 0.00 0.00 0.00 173.10 174.23 1wfv s GLN 8 N -0.54 2.85 -0.14 2.90 -2.07 -1.26 -4.92 119.66 116.47 1wfv s GLN 8 Ca 0.12 0.03 -0.10 0.00 -1.82 0.00 0.00 55.36 53.59 1wfv s GLN 8 Cb -0.12 -4.60 0.05 0.00 -1.09 0.00 0.00 33.01 27.25 1wfv s GLN 8 CO 0.02 -2.68 0.35 0.16 -1.32 0.00 0.00 175.29 171.82 1wfv s ASP 9 N 6.74 -0.40 0.65 12.60 1.47 -1.26 -5.17 116.67 131.31 1wfv s ASP 9 Ca 0.58 0.73 0.06 0.00 1.18 0.00 0.00 52.55 55.11 1wfv s ASP 9 Cb -0.09 0.67 0.12 0.00 -0.34 0.00 0.00 42.92 43.28 1wfv s ASP 9 CO 0.11 -0.16 0.90 -0.36 0.68 0.00 0.00 175.17 176.35 1wfv s PHE 10 N 0.88 1.21 -0.53 2.11 0.08 -1.26 -4.95 117.98 115.51 1wfv s PHE 10 Ca -0.06 -0.63 -0.39 0.00 0.12 0.00 0.00 56.93 55.96 1wfv s PHE 10 Cb -0.06 -2.48 -0.17 0.00 -0.57 0.00 0.00 43.02 39.74 1wfv s PHE 10 CO -0.07 -1.49 2.24 -0.25 -0.10 0.00 0.00 175.22 175.55 1wfv n ASP 11 N -2.52 1.09 -4.58 1.36 8.00 -1.26 -4.77 116.55 113.87 1wfv n ASP 11 Ca 0.17 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.81 1wfv n ASP 11 Cb 0.62 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1wfv n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wfv s TYR 12 N 6.94 2.37 0.09 1.24 2.02 -1.26 -4.14 117.35 124.60 1wfv s TYR 12 Ca 1.19 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 1wfv s TYR 12 Cb -1.26 -4.41 -0.04 0.00 -0.40 0.00 0.00 41.96 35.85 1wfv s TYR 12 CO 0.58 -1.60 0.03 -0.59 -1.57 0.00 0.00 175.55 172.41 1wfv s PHE 13 N 7.30 3.07 0.51 2.71 -0.12 -1.20 -5.00 117.98 125.25 1wfv s PHE 13 Ca 0.60 0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 57.48 1wfv s PHE 13 Cb 0.01 -1.57 0.01 0.00 -0.63 0.00 0.00 43.02 40.84 1wfv s PHE 13 CO 0.07 0.50 0.76 0.95 -0.05 0.00 0.00 175.22 177.45 1wfv s THR 14 N -1.35 3.65 -0.01 -4.49 -4.23 -1.26 -1.15 115.64 106.79 1wfv s THR 14 Ca 0.27 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1wfv s THR 14 Cb -0.12 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1wfv s THR 14 CO 0.20 -0.31 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.24 1wfv s VAL 15 N -2.72 0.39 -0.06 2.29 1.01 0.57 -4.78 120.40 117.11 1wfv s VAL 15 Ca 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1wfv s VAL 15 Cb -0.10 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1wfv s VAL 15 CO 0.40 0.13 0.01 -0.62 0.00 0.00 0.00 175.10 175.01 1wfv s ASP 16 N 0.08 1.41 0.20 3.32 2.15 -1.26 -1.77 116.67 120.80 1wfv s ASP 16 Ca -0.00 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.82 1wfv s ASP 16 Cb -0.04 -0.38 -0.01 0.00 -0.30 0.00 0.00 42.92 42.18 1wfv s ASP 16 CO -0.00 -0.19 0.34 -0.04 -0.17 0.00 0.00 175.17 175.11 1wfv s MET 17 N 1.88 1.31 0.47 4.34 -1.94 -0.77 -5.03 119.30 119.56 1wfv s MET 17 Ca 0.03 -1.25 0.07 0.00 -1.71 0.00 0.00 55.69 52.83 1wfv s MET 17 Cb -0.12 0.40 0.01 0.00 2.01 0.00 0.00 34.83 37.12 1wfv s MET 17 CO -0.04 -0.50 0.43 -1.21 -0.01 0.00 0.00 175.02 173.68 1wfv s GLU 18 N -4.01 2.43 0.60 2.03 2.02 -1.26 -0.96 118.70 119.55 1wfv s GLU 18 Ca 0.22 -1.68 -0.07 0.00 0.02 0.00 0.00 54.97 53.45 1wfv s GLU 18 Cb 0.02 -2.33 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 1wfv s GLU 18 CO 0.05 -0.39 0.93 0.21 0.02 0.00 0.00 175.26 176.09 1wfv s LYS 19 N -4.23 3.06 0.00 1.61 2.20 0.36 -4.60 119.74 118.14 1wfv s LYS 19 Ca 0.46 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1wfv s LYS 19 Cb -0.03 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1wfv s LYS 19 CO 0.27 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1wfv n GLY 20 N -2.63 2.06 0.07 5.54 0.00 0.21 -4.91 105.19 105.53 1wfv n GLY 20 Ca 0.04 -0.04 -0.07 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 1.00 0.05 -0.16 4.61 0.00 -1.98 -3.40 119.26 119.37 1wfv h ALA 21 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1wfv h ALA 21 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1wfv h ALA 21 CO 0.00 0.29 -0.13 1.17 0.00 0.00 0.00 179.25 180.58 1wfv n LYS 22 N -4.64 1.88 0.00 0.00 3.00 -1.26 -5.08 118.16 112.06 1wfv n LYS 22 Ca -0.09 -2.97 0.00 0.00 -0.00 0.00 0.00 58.31 55.24 1wfv n LYS 22 Cb 0.28 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 -1.07 0.84 1.48 3.14 0.00 -1.26 -4.82 105.19 103.49 1wfv n GLY 23 Ca 0.23 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 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 6.85 0.78 -4.35 1.61 3.01 -1.26 0.63 117.46 124.73 1wfv n PHE 24 Ca 0.00 -1.12 -0.39 0.00 1.01 0.00 0.00 57.45 56.95 1wfv n PHE 24 Cb 0.00 -0.56 -0.07 0.00 -0.01 0.00 0.00 39.48 38.84 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 0.44 -0.41 3.35 1.37 0.00 -1.26 -3.03 105.19 105.65 1wfv n GLY 25 Ca 0.15 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.14 -0.45 0.44 1.61 -0.12 -1.26 0.45 117.98 115.51 1wfv s PHE 26 Ca 0.76 1.01 0.06 0.00 -0.05 0.00 0.00 56.93 58.71 1wfv s PHE 26 Cb -0.44 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.07 1wfv s PHE 26 CO 0.93 -0.32 0.04 0.45 -0.05 0.00 0.00 175.22 176.27 1wfv s SER 27 N -0.28 4.02 0.26 1.98 0.15 -0.59 -5.01 113.70 114.23 1wfv s SER 27 Ca -0.04 -1.39 0.02 0.00 0.70 0.00 0.00 55.95 55.23 1wfv s SER 27 Cb -0.03 -0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.03 1wfv s SER 27 CO 0.03 -0.57 0.08 0.27 1.20 0.00 0.00 173.24 174.25 1wfv s ILE 28 N -2.73 0.67 0.24 6.45 -4.36 -1.26 -1.93 121.20 118.28 1wfv s ILE 28 Ca 0.29 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.56 1wfv s ILE 28 Cb 0.07 -2.59 -0.00 0.00 1.25 0.00 0.00 42.46 41.18 1wfv s ILE 28 CO 0.15 -0.06 0.46 0.00 0.24 0.00 0.00 174.94 175.73 1wfv s ARG 29 N -4.00 1.51 0.49 0.37 1.70 0.24 -4.21 118.95 115.05 1wfv s ARG 29 Ca 0.36 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 1wfv s ARG 29 Cb 0.08 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1wfv s ARG 29 CO 0.13 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1wfv n GLY 30 N -0.37 -2.03 0.00 3.88 0.00 -1.26 -1.08 105.19 104.33 1wfv n GLY 30 Ca -0.02 -1.38 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 -1.32 1.84 0.36 -0.02 0.00 0.26 -3.56 105.19 102.75 1wfv n GLY 31 Ca 0.00 -1.96 0.19 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.41 1.61 2.47 -0.93 0.16 114.38 117.27 1wfv h ARG 32 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 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 -0.09 1.49 0.56 0.00 0.00 179.97 181.93 1wfv h GLU 33 N 0.00 0.72 -0.36 0.04 4.81 -1.88 -2.89 114.58 115.02 1wfv h GLU 33 Ca 0.12 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1wfv h GLU 33 Cb 0.81 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1wfv h GLU 33 CO -0.00 0.80 0.00 0.66 -0.73 0.00 0.00 179.01 179.73 1wfv n TYR 34 N -4.18 0.77 -3.81 0.92 4.01 0.36 -4.97 117.16 110.25 1wfv n TYR 34 Ca 0.01 -0.65 -0.24 0.00 -0.16 0.00 0.00 57.90 56.87 1wfv n TYR 34 Cb 0.34 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.24 -4.42 -3.88 -0.72 4.01 -0.01 -4.85 118.16 108.53 1wfv n LYS 35 Ca 0.17 0.54 -0.09 0.00 -0.51 0.00 0.00 58.31 58.42 1wfv n LYS 35 Cb 0.65 -5.00 -0.05 0.00 -0.51 0.00 0.00 35.03 30.12 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 -6.24 1.35 1.03 1.97 0.23 -0.76 -4.97 119.30 111.91 1wfv s MET 36 Ca 0.08 -1.07 -0.14 0.00 -1.03 0.00 0.00 55.69 53.53 1wfv s MET 36 Cb -0.04 0.46 0.20 0.00 -1.53 0.00 0.00 34.83 33.92 1wfv s MET 36 CO 0.84 -0.54 1.11 -0.51 -2.03 0.00 0.00 175.02 173.88 1wfv s ASP 37 N -2.94 2.37 -0.17 -1.18 1.01 -1.26 -0.58 116.67 113.91 1wfv s ASP 37 Ca 0.15 1.03 -0.14 0.00 0.71 0.00 0.00 52.55 54.29 1wfv s ASP 37 Cb 0.01 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.29 1wfv s ASP 37 CO 0.01 -3.27 0.32 -0.76 0.21 0.00 0.00 175.17 171.68 1wfv s LEU 38 N -6.50 4.22 0.28 1.23 1.43 -1.26 -2.97 118.68 115.10 1wfv s LEU 38 Ca 0.66 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1wfv s LEU 38 Cb -0.16 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 1wfv s LEU 38 CO 0.57 0.05 0.03 -0.31 0.23 0.00 0.00 176.35 176.92 1wfv s TYR 39 N 0.70 1.79 -0.72 0.29 1.51 -0.24 0.96 117.35 121.64 1wfv s TYR 39 Ca 0.17 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 55.06 1wfv s TYR 39 Cb -0.13 -1.10 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1wfv s TYR 39 CO 0.05 -0.01 1.10 0.08 -1.11 0.00 0.00 175.55 175.66 1wfv s VAL 40 N -3.34 4.15 0.08 0.71 1.01 -1.22 0.81 120.40 122.59 1wfv s VAL 40 Ca 0.33 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1wfv s VAL 40 Cb 0.07 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1wfv s VAL 40 CO 0.13 -1.61 1.30 0.25 0.00 0.00 0.00 175.10 175.16 1wfv h LEU 41 N 11.88 -1.08 -7.79 3.92 7.12 -1.56 -3.30 115.31 124.50 1wfv h LEU 41 Ca -0.23 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.91 1wfv h LEU 41 Cb 1.06 0.46 -0.10 0.00 -0.53 0.00 0.00 40.66 41.55 1wfv h LEU 41 CO 1.22 -0.18 0.02 0.00 -0.13 0.00 0.00 178.44 179.36 1wfv s ARG 42 N -4.40 1.43 0.13 1.25 3.03 -1.26 -4.85 118.95 114.28 1wfv s ARG 42 Ca -0.07 -0.94 0.08 0.00 2.03 0.00 0.00 55.73 56.83 1wfv s ARG 42 Cb 0.05 0.52 -0.04 0.00 -1.03 0.00 0.00 34.95 34.45 1wfv s ARG 42 CO 0.33 -0.61 -0.14 -0.51 -1.13 0.00 0.00 175.30 173.24 1wfv s LEU 43 N -2.90 2.85 -0.28 -1.89 1.43 -1.26 -1.54 118.68 115.08 1wfv s LEU 43 Ca 0.11 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1wfv s LEU 43 Cb -0.01 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1wfv s LEU 43 CO -0.00 0.16 0.66 0.00 0.23 0.00 0.00 176.35 177.40 1wfv s ALA 44 N -1.28 3.57 0.53 4.21 0.00 0.17 -4.93 121.76 124.04 1wfv s ALA 44 Ca 0.20 -0.51 0.21 0.00 0.00 0.00 0.00 51.96 51.86 1wfv s ALA 44 Cb -0.10 -3.11 1.37 0.00 0.00 0.00 0.00 23.12 21.28 1wfv s ALA 44 CO 0.12 -0.98 2.09 1.05 0.00 0.00 0.00 175.76 178.04 1wfv h GLU 45 N 8.05 0.00 -0.33 0.00 4.11 -1.98 -0.87 114.58 123.56 1wfv h GLU 45 Ca -0.26 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.00 1wfv h GLU 45 Cb 1.12 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1wfv h GLU 45 CO 0.81 0.00 -0.13 -3.47 0.07 0.00 0.00 179.01 176.29 1wfv n ASP 46 N -4.39 2.40 -4.71 3.06 2.03 -1.26 -4.95 116.55 108.72 1wfv n ASP 46 Ca 0.02 -3.81 -0.24 0.00 0.52 0.00 0.00 54.79 51.28 1wfv n ASP 46 Cb 0.30 -0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.62 2.10 0.44 0.27 0.00 -0.33 -5.01 107.32 102.17 1wfv s GLY 47 Ca 0.44 -1.95 0.23 0.00 0.00 0.00 0.00 44.72 43.44 1wfv s GLY 47 CO -0.01 -1.84 1.86 -0.56 0.00 0.00 0.00 173.10 172.55 1wfv h PRO 48 N 1.57 0.00 0.56 2.90 0.13 -1.85 -3.22 132.00 132.09 1wfv h PRO 48 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1wfv h PRO 48 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.66 0.24 -0.27 0.00 -0.23 0.00 0.00 178.00 178.40 1wfv h ALA 49 N 1.76 -0.75 0.00 -0.56 0.00 -1.75 -2.11 119.26 115.85 1wfv h ALA 49 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wfv h ALA 49 Cb 0.68 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wfv h ALA 49 CO 0.03 -0.75 0.14 1.51 0.00 0.00 0.00 179.25 180.18 1wfv n ILE 50 N -5.30 0.91 0.09 0.00 3.06 -1.23 0.46 119.36 117.36 1wfv n ILE 50 Ca -0.11 0.72 0.11 0.00 -2.50 0.00 0.00 62.75 60.97 1wfv n ILE 50 Cb 0.33 -1.72 -0.06 0.00 0.54 0.00 0.00 39.64 38.73 1wfv n ILE 50 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1wfv n ARG 51 N -2.08 0.60 0.14 9.51 1.74 -1.08 -4.34 116.66 121.16 1wfv n ARG 51 Ca -0.01 0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1wfv n ARG 51 Cb 0.16 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.81 1wfv n ARG 51 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1wfv h ASN 52 N 0.00 -0.33 0.00 0.55 -1.24 0.70 -3.47 115.58 111.79 1wfv h ASN 52 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1wfv h ASN 52 Cb 0.98 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1wfv h ASN 52 CO 0.00 0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.80 1wfv n GLY 53 N -0.23 2.51 0.54 1.57 0.00 -1.21 -4.78 105.19 103.58 1wfv n GLY 53 Ca -0.09 -0.54 0.34 0.00 0.00 0.00 0.00 46.02 45.73 1wfv n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 54 N 0.00 0.00 -6.45 1.61 2.47 -1.92 -3.37 114.38 106.73 1wfv h ARG 54 Ca 0.00 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.04 1wfv h ARG 54 Cb 0.00 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.02 1wfv h ARG 54 CO 0.00 0.00 -0.88 0.00 0.56 0.00 0.00 179.97 179.65 1wfv s MET 55 N -4.72 2.05 0.19 0.04 0.23 -1.26 -4.91 119.30 110.91 1wfv s MET 55 Ca -0.04 -0.89 0.04 0.00 -1.03 0.00 0.00 55.69 53.77 1wfv s MET 55 Cb 0.20 -1.96 -0.01 0.00 -1.53 0.00 0.00 34.83 31.52 1wfv s MET 55 CO 0.68 0.52 0.13 0.54 -2.03 0.00 0.00 175.02 174.86 1wfv n ARG 56 N 2.50 0.36 -3.20 3.16 3.00 -1.26 -4.82 116.66 116.41 1wfv n ARG 56 Ca -0.16 -1.82 -0.43 0.00 -0.01 0.00 0.00 57.85 55.44 1wfv n ARG 56 Cb 0.51 1.35 -0.07 0.00 0.00 0.00 0.00 32.46 34.25 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 -2.63 4.94 0.00 1.55 1.01 -1.26 -4.05 120.40 119.96 1wfv s VAL 57 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1wfv s VAL 57 Cb 0.01 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1wfv s VAL 57 CO 0.13 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1wfv n GLY 58 N 4.99 1.28 3.74 4.51 0.00 -1.24 -5.02 105.19 113.44 1wfv n GLY 58 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 2.06 -0.17 1.61 1.11 -1.26 -4.87 116.67 114.69 1wfv s ASP 59 Ca 0.00 0.56 0.01 0.00 0.18 0.00 0.00 52.55 53.30 1wfv s ASP 59 Cb 0.00 -0.78 0.02 0.00 1.07 0.00 0.00 42.92 43.23 1wfv s ASP 59 CO 0.00 -3.41 -0.19 -1.58 1.18 0.00 0.00 175.17 171.17 1wfv s GLN 60 N -5.55 2.81 -0.31 8.23 0.74 -1.25 -3.37 119.66 120.97 1wfv s GLN 60 Ca 0.71 -0.76 -0.27 0.00 0.05 0.00 0.00 55.36 55.09 1wfv s GLN 60 Cb -0.08 -2.43 0.01 0.00 1.10 0.00 0.00 33.01 31.61 1wfv s GLN 60 CO 0.55 -0.19 0.95 0.42 -0.55 0.00 0.00 175.29 176.47 1wfv s ILE 61 N 1.27 4.64 -0.03 -2.34 1.01 0.27 -3.95 121.20 122.07 1wfv s ILE 61 Ca 0.03 1.54 0.18 0.00 0.00 0.00 0.00 60.65 62.40 1wfv s ILE 61 Cb -0.13 -4.29 -0.28 0.00 0.01 0.00 0.00 42.46 37.76 1wfv s ILE 61 CO -0.11 -0.36 0.38 2.30 0.00 0.00 0.00 174.94 177.16 1wfv n ILE 62 N 5.68 0.07 -4.14 2.92 -0.00 -0.88 -4.21 119.36 118.80 1wfv n ILE 62 Ca 0.09 -0.44 -0.17 0.00 -0.00 0.00 0.00 62.75 62.23 1wfv n ILE 62 Cb 0.47 0.04 -0.12 0.00 -0.00 0.00 0.00 39.64 40.04 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 -3.23 0.73 -0.05 6.28 2.12 -1.24 -3.29 118.70 120.02 1wfv s GLU 63 Ca -0.07 -0.90 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 1wfv s GLU 63 Cb 0.11 -0.66 0.04 0.00 0.26 0.00 0.00 34.13 33.88 1wfv s GLU 63 CO 0.76 0.14 0.09 0.42 -0.54 0.00 0.00 175.26 176.14 1wfv s ILE 64 N -1.32 -0.09 -1.09 -3.70 1.01 -1.18 -2.19 121.20 112.64 1wfv s ILE 64 Ca -0.04 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1wfv s ILE 64 Cb -0.10 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.22 1wfv s ILE 64 CO 0.02 0.10 0.06 0.59 0.00 0.00 0.00 174.94 175.71 1wfv n ASN 65 N 4.50 0.38 -3.65 3.58 3.02 0.84 0.23 115.26 124.15 1wfv n ASN 65 Ca -0.21 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.23 1wfv n ASN 65 Cb 0.51 -1.09 0.06 0.00 -0.61 0.00 0.00 39.78 38.65 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 -1.91 -0.47 2.70 7.41 0.00 -1.24 -4.96 105.19 106.72 1wfv n GLY 66 Ca -0.18 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -6.17 0.47 -0.51 1.61 2.02 0.62 -5.08 118.70 111.65 1wfv s GLU 67 Ca 0.43 -0.30 -0.41 0.00 0.02 0.00 0.00 54.97 54.71 1wfv s GLU 67 Cb -0.20 -1.99 -0.17 0.00 0.10 0.00 0.00 34.13 31.86 1wfv s GLU 67 CO 0.76 -0.64 2.20 -1.13 0.02 0.00 0.00 175.26 176.48 1wfv n SER 68 N 5.12 1.03 -3.04 -0.19 3.41 -1.26 -3.08 113.62 115.60 1wfv n SER 68 Ca -0.08 0.56 -0.34 0.00 -0.26 0.00 0.00 58.87 58.76 1wfv n SER 68 Cb 0.48 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 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 6.76 4.08 -4.66 6.66 -2.24 -1.21 -4.88 114.28 118.78 1wfv n THR 69 Ca 0.53 -2.41 -0.34 0.00 -2.27 0.00 0.00 64.05 59.56 1wfv n THR 69 Cb 0.03 -2.48 -0.12 0.00 -2.10 0.00 0.00 70.33 65.67 1wfv n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfv s ARG 70 N 1.83 2.80 -1.40 -0.78 1.70 -1.26 -4.56 118.95 117.28 1wfv s ARG 70 Ca 0.69 -0.58 -0.09 0.00 -0.47 0.00 0.00 55.73 55.28 1wfv s ARG 70 Cb 0.21 -2.58 0.06 0.00 -0.57 0.00 0.00 34.95 32.07 1wfv s ARG 70 CO -0.05 0.61 0.62 -0.25 -1.08 0.00 0.00 175.30 175.14 1wfv n ASP 71 N 2.39 -4.57 -4.74 -2.89 9.92 -1.26 -4.96 116.55 110.44 1wfv n ASP 71 Ca -0.18 -0.44 -0.25 0.00 -0.53 0.00 0.00 54.79 53.39 1wfv n ASP 71 Cb 0.53 -3.72 -0.06 0.00 -0.64 0.00 0.00 41.12 37.23 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1wfv s MET 72 N -6.05 2.68 0.00 -1.24 -1.94 -1.26 -4.95 119.30 106.55 1wfv s MET 72 Ca 0.43 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1wfv s MET 72 Cb -0.21 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1wfv s MET 72 CO 0.53 0.45 0.03 0.95 -0.01 0.00 0.00 175.02 176.97 1wfv s THR 73 N -1.86 4.38 0.34 2.05 -4.23 -1.26 -0.52 115.64 114.55 1wfv s THR 73 Ca 0.30 -0.55 0.26 0.00 -1.18 0.00 0.00 61.69 60.52 1wfv s THR 73 Cb -0.09 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1wfv s THR 73 CO 0.22 0.35 1.21 1.57 -0.54 0.00 0.00 174.62 177.42 1wfv n HIS 74 N 1.25 0.53 -0.05 3.99 -0.00 -1.23 0.20 115.22 119.90 1wfv n HIS 74 Ca -0.14 0.53 -0.10 0.00 0.46 0.00 0.00 57.72 58.48 1wfv n HIS 74 Cb 0.53 -0.94 -0.03 0.00 -0.12 0.00 0.00 29.99 29.43 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 1.22 0.28 0.43 1.57 0.00 -1.93 -2.48 119.26 118.36 1wfv h ALA 75 Ca 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 1wfv h ALA 75 Cb 2.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1wfv h ALA 75 CO -0.35 -0.26 -0.39 -0.09 0.00 0.00 0.00 179.25 178.16 1wfv h ARG 76 N 0.28 -0.79 -1.12 0.00 9.65 0.19 -0.84 114.38 121.76 1wfv h ARG 76 Ca 0.09 0.05 0.33 0.00 -1.10 0.00 0.00 59.98 59.35 1wfv h ARG 76 Cb -0.02 0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 1wfv h ARG 76 CO -0.03 -0.52 0.90 0.00 2.80 0.00 0.00 179.97 183.11 1wfv h ALA 77 N -1.14 3.02 0.02 2.80 0.00 -1.51 1.17 119.26 123.61 1wfv h ALA 77 Ca -0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1wfv h ALA 77 Cb 0.70 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1wfv h ALA 77 CO -0.03 -1.48 -0.97 0.82 0.00 0.00 0.00 179.25 177.60 1wfv h ILE 78 N 0.00 1.63 0.00 0.00 1.08 -0.79 -3.15 117.51 116.28 1wfv h ILE 78 Ca 0.53 -3.12 -0.08 0.00 -0.39 0.00 0.00 64.86 61.81 1wfv h ILE 78 Cb 2.33 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 38.79 1wfv h ILE 78 CO -0.01 0.90 -0.82 1.05 -0.69 0.00 0.00 178.15 178.58 1wfv h GLU 79 N 0.02 0.00 -0.34 2.37 4.11 0.25 -3.33 114.58 117.66 1wfv h GLU 79 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.23 1wfv h GLU 79 Cb 1.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 1wfv h GLU 79 CO 0.13 0.23 -0.45 -0.07 0.07 0.00 0.00 179.01 178.92 1wfv h LEU 80 N 0.00 0.99 -1.75 3.06 3.38 -0.55 0.25 115.31 120.70 1wfv h LEU 80 Ca -0.05 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1wfv h LEU 80 Cb 1.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wfv h LEU 80 CO 0.03 1.29 -0.07 0.40 0.09 0.00 0.00 178.44 180.18 1wfv h ILE 81 N 0.72 1.08 0.00 1.22 2.04 -1.66 -1.79 117.51 119.12 1wfv h ILE 81 Ca 0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1wfv h ILE 81 Cb 1.05 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1wfv h ILE 81 CO 0.11 0.11 -1.24 2.29 0.00 0.00 0.00 178.15 179.42 1wfv n LYS 82 N -4.41 0.29 0.08 2.37 2.85 -1.14 -4.18 118.16 114.01 1wfv n LYS 82 Ca -0.02 -0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.11 1wfv n LYS 82 Cb 0.17 -1.55 -0.08 0.00 -0.65 0.00 0.00 35.03 32.92 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 0.14 -0.39 -5.58 0.87 0.30 -3.29 113.55 105.59 1wfv h SER 83 Ca 0.00 -0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 1wfv h SER 83 Cb 0.73 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1wfv h SER 83 CO 0.00 1.05 -0.33 1.23 -0.53 0.00 0.00 176.83 178.25 1wfv h GLY 84 N 2.39 1.00 0.00 5.77 0.00 -1.52 -3.50 103.07 107.20 1wfv h GLY 84 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1wfv h GLY 84 CO 0.14 0.89 0.00 0.61 0.00 0.00 0.00 176.54 178.18 1wfv n GLY 85 N 0.08 0.26 0.09 4.60 0.00 -1.24 -4.70 105.19 104.27 1wfv n GLY 85 Ca -0.02 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 -5.24 1.61 3.08 -1.92 -3.45 114.38 108.46 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 -0.29 0.00 0.08 0.00 0.00 29.97 29.76 1wfv h ARG 86 CO 0.00 0.00 -0.79 1.03 -1.07 0.00 0.00 179.97 179.14 1wfv s ARG 87 N -3.23 3.27 0.03 0.04 0.52 -1.26 0.14 118.95 118.46 1wfv s ARG 87 Ca 0.04 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 1wfv s ARG 87 Cb 0.11 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 1wfv s ARG 87 CO 0.73 0.09 -0.20 0.54 0.02 0.00 0.00 175.30 176.48 1wfv s VAL 88 N 0.64 1.61 -0.05 3.52 0.11 -0.13 -4.79 120.40 121.32 1wfv s VAL 88 Ca -0.08 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1wfv s VAL 88 Cb -0.16 -1.39 0.03 0.00 -1.53 0.00 0.00 36.38 33.33 1wfv s VAL 88 CO 0.02 0.23 0.02 -0.13 -3.33 0.00 0.00 175.10 171.91 1wfv s ARG 89 N -1.07 0.29 0.02 1.54 0.52 -1.26 -1.84 118.95 117.16 1wfv s ARG 89 Ca 0.07 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.46 1wfv s ARG 89 Cb -0.09 -0.65 -0.02 0.00 0.52 0.00 0.00 34.95 34.72 1wfv s ARG 89 CO 0.01 -0.24 -0.04 -0.48 0.02 0.00 0.00 175.30 174.57 1wfv s LEU 90 N 1.66 2.21 -0.45 2.53 2.34 -0.73 0.29 118.68 126.53 1wfv s LEU 90 Ca -0.01 -0.45 -0.23 0.00 0.06 0.00 0.00 54.13 53.50 1wfv s LEU 90 Cb -0.13 -0.01 0.03 0.00 -0.56 0.00 0.00 46.19 45.52 1wfv s LEU 90 CO -0.03 -0.23 0.77 -0.22 -1.06 0.00 0.00 176.35 175.58 1wfv s LEU 91 N -1.30 4.28 0.02 1.48 0.20 -0.93 -0.31 118.68 122.12 1wfv s LEU 91 Ca -0.12 -0.14 0.08 0.00 0.69 0.00 0.00 54.13 54.64 1wfv s LEU 91 Cb -0.09 -2.94 -0.02 0.00 -0.43 0.00 0.00 46.19 42.71 1wfv s LEU 91 CO -0.00 -0.90 -0.25 -0.22 -0.29 0.00 0.00 176.35 174.69 1wfv s LEU 92 N 3.24 2.12 -0.04 -0.68 2.96 -0.30 -2.08 118.68 123.91 1wfv s LEU 92 Ca 0.29 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1wfv s LEU 92 Cb -0.12 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1wfv s LEU 92 CO 0.22 0.26 -0.17 -1.59 -1.32 0.00 0.00 176.35 173.74 1wfv s LYS 93 N -0.98 1.78 -0.01 1.98 0.00 -1.25 -3.20 119.74 118.05 1wfv s LYS 93 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 55.97 55.48 1wfv s LYS 93 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 37.83 36.14 1wfv s LYS 93 CO 0.01 0.26 -0.08 0.50 0.00 0.00 0.00 175.35 176.03 1wfv s ARG 94 N 0.00 2.55 -0.15 1.78 6.06 -1.26 -3.95 118.95 123.98 1wfv s ARG 94 Ca -0.03 -0.71 -0.05 0.00 -2.50 0.00 0.00 55.73 52.45 1wfv s ARG 94 Cb -0.11 -2.48 -0.12 0.00 0.06 0.00 0.00 34.95 32.29 1wfv s ARG 94 CO 0.02 0.61 3.16 0.41 -2.50 0.00 0.00 175.30 177.00 1wfv n GLY 95 N 1.77 3.41 0.01 8.12 0.00 -1.26 -4.12 105.19 113.13 1wfv n GLY 95 Ca -0.16 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.67 1wfv n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wfv n THR 96 N 1.83 0.07 0.36 2.61 5.66 -1.26 -4.39 114.28 119.17 1wfv n THR 96 Ca 0.40 -0.08 -0.14 0.00 -3.05 0.00 0.00 64.05 61.18 1wfv n THR 96 Cb 0.76 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.78 1wfv n THR 96 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1wfv h GLY 97 N 4.86 -0.98 -3.84 1.09 0.00 -2.03 -3.48 103.07 98.69 1wfv h GLY 97 Ca 0.00 0.36 0.20 0.00 0.00 0.00 0.00 47.33 47.89 1wfv h GLY 97 CO 0.00 -0.36 0.71 -0.56 0.00 0.00 0.00 176.54 176.34 1wfv s SER 98 N -3.93 -0.21 -0.09 0.19 0.01 -1.26 -5.17 113.70 103.23 1wfv s SER 98 Ca -0.14 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1wfv s SER 98 Cb 0.01 0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.51 1wfv s SER 98 CO 0.41 -0.32 0.20 -0.83 0.41 0.00 0.00 173.24 173.11 1wfv s GLY 99 N -2.03 -0.04 -0.34 3.44 0.00 -1.26 -5.02 107.32 102.06 1wfv s GLY 99 Ca 0.07 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 1wfv s GLY 99 CO -0.05 1.50 1.69 2.56 0.00 0.00 0.00 173.10 178.80 1wfv s PRO 100 N 1.85 3.44 -1.50 2.90 0.04 -1.26 -3.29 135.00 137.18 1wfv s PRO 100 Ca -0.03 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 1wfv s PRO 100 Cb -0.12 -4.14 0.07 0.00 0.04 0.00 0.00 34.50 30.35 1wfv s PRO 100 CO -0.07 -1.74 0.79 0.43 0.04 0.00 0.00 177.00 176.46 1wfv n SER 101 N 9.77 -2.99 -4.82 6.66 7.64 -1.26 -4.93 113.62 123.69 1wfv n SER 101 Ca 0.21 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.89 1wfv n SER 101 Cb 0.47 -3.56 -0.06 0.00 -1.01 0.00 0.00 64.21 60.05 1wfv n SER 101 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfv s SER 102 N -3.71 6.74 0.00 6.43 0.15 -1.21 -5.34 113.70 116.76 1wfv s SER 102 Ca 0.43 1.75 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1wfv s SER 102 Cb -0.22 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1wfv s SER 102 CO 0.86 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 175.40