#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 5.48 -0.36 1.61 0.15 -1.26 -4.92 113.70 114.40 1wfv s SER 2 Ca 0.00 -1.49 -0.13 0.00 0.70 0.00 0.00 55.95 55.03 1wfv s SER 2 Cb 0.00 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wfv s SER 2 CO 0.00 -2.55 0.26 -0.94 1.20 0.00 0.00 173.24 171.21 1wfv s SER 3 N 6.43 6.04 0.00 5.45 1.04 -1.26 -5.00 113.70 126.41 1wfv s SER 3 Ca 0.64 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1wfv s SER 3 Cb -0.02 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1wfv s SER 3 CO 0.06 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wfv n GLY 4 N 5.12 2.48 3.38 7.32 0.00 -1.26 -5.07 105.19 117.16 1wfv n GLY 4 Ca -0.12 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.34 1wfv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfv s SER 5 N 0.00 6.44 -0.20 1.61 0.15 -1.26 -5.02 113.70 115.42 1wfv s SER 5 Ca 0.00 -1.90 -0.08 0.00 0.70 0.00 0.00 55.95 54.66 1wfv s SER 5 Cb 0.00 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1wfv s SER 5 CO 0.00 -0.97 0.09 -0.44 1.20 0.00 0.00 173.24 173.12 1wfv s SER 6 N 3.27 5.72 0.00 5.45 0.01 -1.26 -5.04 113.70 121.84 1wfv s SER 6 Ca 0.19 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1wfv s SER 6 Cb -0.16 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1wfv s SER 6 CO -0.02 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1wfv n GLY 7 N 3.83 1.79 0.81 3.44 0.00 -1.26 -5.01 105.19 108.80 1wfv n GLY 7 Ca -0.16 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1wfv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wfv n GLN 8 N 0.00 2.12 -0.12 1.61 1.13 -1.26 -5.04 117.38 115.81 1wfv n GLN 8 Ca 0.00 -2.95 -0.17 0.00 -1.94 0.00 0.00 57.00 51.94 1wfv n GLN 8 Cb 0.00 -1.75 0.16 0.00 0.11 0.00 0.00 30.24 28.76 1wfv n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1wfv n ASP 9 N -0.96 -3.21 -2.69 1.08 8.00 -1.26 -4.91 116.55 112.59 1wfv n ASP 9 Ca 0.24 -0.48 -0.12 0.00 0.71 0.00 0.00 54.79 55.15 1wfv n ASP 9 Cb 0.88 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1wfv n ASP 9 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wfv n PHE 10 N -4.56 0.20 -1.46 1.24 3.72 -1.26 -4.90 117.46 110.44 1wfv n PHE 10 Ca 0.08 -1.08 -0.57 0.00 -0.05 0.00 0.00 57.45 55.82 1wfv n PHE 10 Cb 0.33 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 1wfv n PHE 10 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1wfv n ASP 11 N -1.60 0.34 -4.40 4.37 5.75 -1.26 -4.83 116.55 114.92 1wfv n ASP 11 Ca -0.05 1.08 -0.45 0.00 -0.01 0.00 0.00 54.79 55.37 1wfv n ASP 11 Cb 0.26 -0.84 -0.01 0.00 -1.03 0.00 0.00 41.12 39.50 1wfv n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1wfv s TYR 12 N 0.86 3.65 0.21 2.11 2.02 -1.26 -4.07 117.35 120.86 1wfv s TYR 12 Ca 0.88 -2.04 0.07 0.00 -0.37 0.00 0.00 57.07 55.61 1wfv s TYR 12 Cb -1.24 -4.08 -0.04 0.00 -0.40 0.00 0.00 41.96 36.20 1wfv s TYR 12 CO 0.60 -1.22 0.11 -0.59 -1.57 0.00 0.00 175.55 172.88 1wfv s PHE 13 N 0.87 3.01 0.16 2.71 -0.71 -1.11 -4.98 117.98 117.93 1wfv s PHE 13 Ca 0.32 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 1wfv s PHE 13 Cb -0.07 -1.41 -0.04 0.00 -1.21 0.00 0.00 43.02 40.30 1wfv s PHE 13 CO -0.06 0.53 0.27 0.95 -1.34 0.00 0.00 175.22 175.57 1wfv s THR 14 N -1.94 5.20 -0.03 -4.49 -4.23 -1.26 -0.84 115.64 108.04 1wfv s THR 14 Ca 0.31 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1wfv s THR 14 Cb -0.09 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1wfv s THR 14 CO 0.22 -0.12 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.43 1wfv s VAL 15 N -1.77 3.70 -0.13 2.29 1.01 0.72 -4.87 120.40 121.34 1wfv s VAL 15 Ca 0.34 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1wfv s VAL 15 Cb -0.11 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.75 1wfv s VAL 15 CO 0.28 0.47 0.03 -0.62 0.00 0.00 0.00 175.10 175.26 1wfv s ASP 16 N -1.18 2.23 0.30 3.32 -1.08 -1.26 -3.06 116.67 115.93 1wfv s ASP 16 Ca 0.15 -0.46 -0.08 0.00 -0.52 0.00 0.00 52.55 51.65 1wfv s ASP 16 Cb -0.11 -0.47 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 1wfv s ASP 16 CO 0.05 -0.26 0.49 -0.04 0.52 0.00 0.00 175.17 175.93 1wfv s MET 17 N 1.95 1.77 0.47 4.34 1.00 -1.12 -4.99 119.30 122.72 1wfv s MET 17 Ca 0.02 -1.52 0.04 0.00 0.00 0.00 0.00 55.69 54.23 1wfv s MET 17 Cb -0.15 0.46 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 1wfv s MET 17 CO -0.07 -0.74 0.03 -1.21 0.00 0.00 0.00 175.02 173.03 1wfv s GLU 18 N -3.41 2.11 0.52 2.03 2.02 -1.26 -1.85 118.70 118.86 1wfv s GLU 18 Ca 0.26 -2.26 -0.07 0.00 0.02 0.00 0.00 54.97 52.91 1wfv s GLU 18 Cb -0.01 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1wfv s GLU 18 CO 0.15 -0.25 0.86 0.21 0.02 0.00 0.00 175.26 176.25 1wfv s LYS 19 N -3.83 3.58 0.00 1.61 2.20 0.64 -4.57 119.74 119.37 1wfv s LYS 19 Ca 0.18 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1wfv s LYS 19 Cb 0.05 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1wfv s LYS 19 CO 0.10 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1wfv n GLY 20 N -2.34 1.81 0.06 5.54 0.00 0.24 -4.90 105.19 105.60 1wfv n GLY 20 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.79 0.03 -0.26 4.61 0.00 -1.98 -3.39 119.26 119.05 1wfv h ALA 21 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1wfv h ALA 21 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1wfv h ALA 21 CO 0.00 0.16 -0.28 1.63 0.00 0.00 0.00 179.25 180.76 1wfv n LYS 22 N -4.67 1.89 0.00 0.00 5.02 -1.26 -5.07 118.16 114.06 1wfv n LYS 22 Ca -0.07 -3.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.90 1wfv n LYS 22 Cb 0.23 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfv n GLY 23 N -1.09 0.58 1.59 0.72 0.00 -1.26 -4.78 105.19 100.96 1wfv n GLY 23 Ca 0.29 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 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 3.13 0.23 -3.21 1.61 3.01 -1.26 0.81 117.46 121.77 1wfv n PHE 24 Ca 0.00 -1.18 -0.24 0.00 1.01 0.00 0.00 57.45 57.04 1wfv n PHE 24 Cb 0.00 -0.64 -0.04 0.00 -0.01 0.00 0.00 39.48 38.79 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 1.39 -0.22 3.35 1.37 0.00 -1.26 -3.87 105.19 105.95 1wfv n GLY 25 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.28 -0.45 0.34 1.61 -0.12 -1.26 0.35 117.98 116.17 1wfv s PHE 26 Ca 0.47 1.00 0.10 0.00 -0.05 0.00 0.00 56.93 58.45 1wfv s PHE 26 Cb -0.27 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.24 1wfv s PHE 26 CO 0.58 -0.33 -0.08 0.45 -0.05 0.00 0.00 175.22 175.79 1wfv s SER 27 N -0.31 3.83 0.36 1.98 0.15 -0.98 -5.00 113.70 113.73 1wfv s SER 27 Ca -0.05 -1.13 0.06 0.00 0.70 0.00 0.00 55.95 55.53 1wfv s SER 27 Cb -0.03 -0.39 -0.07 0.00 -1.71 0.00 0.00 66.02 63.81 1wfv s SER 27 CO 0.03 -0.18 0.02 0.27 1.20 0.00 0.00 173.24 174.57 1wfv s ILE 28 N -2.57 1.63 0.05 6.45 -4.36 -1.26 -1.05 121.20 120.09 1wfv s ILE 28 Ca 0.33 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.58 1wfv s ILE 28 Cb 0.01 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 40.89 1wfv s ILE 28 CO 0.17 -0.04 0.24 0.00 0.24 0.00 0.00 174.94 175.55 1wfv s ARG 29 N -3.78 0.78 0.69 0.37 1.70 0.30 -4.21 118.95 114.79 1wfv s ARG 29 Ca 0.35 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 1wfv s ARG 29 Cb 0.08 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1wfv s ARG 29 CO 0.16 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 1wfv n GLY 30 N 0.47 -2.17 0.00 3.88 0.00 -1.26 -0.29 105.19 105.82 1wfv n GLY 30 Ca -0.18 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.23 2.93 0.26 -0.02 0.00 0.12 -3.23 105.19 105.02 1wfv n GLY 31 Ca 0.00 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.05 1.61 2.47 -0.83 0.21 114.38 117.79 1wfv h ARG 32 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 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 -0.66 1.49 0.56 0.00 0.00 179.97 181.36 1wfv h GLU 33 N 0.00 0.21 -0.27 0.04 4.57 -1.88 -3.15 114.58 114.09 1wfv h GLU 33 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1wfv h GLU 33 Cb 0.40 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1wfv h GLU 33 CO 0.00 0.80 0.00 0.66 -1.18 0.00 0.00 179.01 179.29 1wfv n TYR 34 N -3.82 0.35 -3.32 0.92 4.01 0.57 -4.97 117.16 110.90 1wfv n TYR 34 Ca -0.02 -0.31 -0.18 0.00 -0.16 0.00 0.00 57.90 57.22 1wfv n TYR 34 Cb 0.66 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.74 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 0.73 -6.05 -3.95 -0.72 4.01 -0.29 -4.90 118.16 106.98 1wfv n LYS 35 Ca 0.12 0.64 -0.10 0.00 -0.51 0.00 0.00 58.31 58.46 1wfv n LYS 35 Cb 0.41 -5.12 -0.07 0.00 -0.51 0.00 0.00 35.03 29.75 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 -5.89 1.17 0.98 1.97 0.23 -0.82 -4.98 119.30 111.96 1wfv s MET 36 Ca 0.40 -1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 53.76 1wfv s MET 36 Cb -0.17 0.38 0.18 0.00 -1.53 0.00 0.00 34.83 33.69 1wfv s MET 36 CO 0.56 -0.43 1.12 -0.51 -2.03 0.00 0.00 175.02 173.73 1wfv s ASP 37 N -2.97 2.84 -0.30 -1.18 1.11 -1.26 -0.70 116.67 114.22 1wfv s ASP 37 Ca 0.17 0.99 -0.16 0.00 0.18 0.00 0.00 52.55 53.73 1wfv s ASP 37 Cb 0.03 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.44 1wfv s ASP 37 CO 0.00 -2.97 0.40 -0.76 1.18 0.00 0.00 175.17 173.02 1wfv s LEU 38 N -6.30 4.18 0.38 1.23 1.43 -1.25 -2.98 118.68 115.37 1wfv s LEU 38 Ca 0.65 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 1wfv s LEU 38 Cb -0.16 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1wfv s LEU 38 CO 0.55 -0.27 0.04 -0.31 0.23 0.00 0.00 176.35 176.59 1wfv s TYR 39 N 2.12 2.53 -0.71 0.29 1.51 0.60 0.94 117.35 124.63 1wfv s TYR 39 Ca 0.15 -0.56 -0.26 0.00 -1.01 0.00 0.00 57.07 55.40 1wfv s TYR 39 Cb -0.16 -1.68 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1wfv s TYR 39 CO 0.11 0.41 1.18 0.08 -1.11 0.00 0.00 175.55 176.22 1wfv s VAL 40 N -2.61 3.92 0.05 0.71 1.01 -0.98 0.11 120.40 122.60 1wfv s VAL 40 Ca 0.36 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1wfv s VAL 40 Cb 0.04 -4.84 -0.06 0.00 0.00 0.00 0.00 36.38 31.52 1wfv s VAL 40 CO 0.19 -1.72 1.26 0.25 0.00 0.00 0.00 175.10 175.08 1wfv h LEU 41 N 12.48 -0.80 0.00 3.92 7.12 -1.26 -3.12 115.31 133.64 1wfv h LEU 41 Ca -0.28 0.09 -0.25 0.00 0.13 0.00 0.00 57.88 57.57 1wfv h LEU 41 Cb 1.06 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 41.43 1wfv h LEU 41 CO 1.25 -0.24 -0.15 -2.11 -0.13 0.00 0.00 178.44 177.05 1wfv n ARG 42 N -3.91 0.54 -4.13 1.25 -4.01 -1.25 -4.75 116.66 100.41 1wfv n ARG 42 Ca -0.03 -2.33 -0.15 0.00 -1.04 0.00 0.00 57.85 54.29 1wfv n ARG 42 Cb 0.18 2.20 -0.12 0.00 -3.04 0.00 0.00 32.46 31.68 1wfv n ARG 42 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wfv s LEU 43 N 0.00 2.20 -0.25 2.89 1.43 -1.26 -2.33 118.68 121.36 1wfv s LEU 43 Ca 0.25 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1wfv s LEU 43 Cb -0.00 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1wfv s LEU 43 CO 0.18 -0.11 0.69 0.00 0.23 0.00 0.00 176.35 177.33 1wfv s ALA 44 N -1.07 3.62 0.57 4.21 0.00 0.16 -4.93 121.76 124.32 1wfv s ALA 44 Ca -0.06 -0.35 0.31 0.00 0.00 0.00 0.00 51.96 51.87 1wfv s ALA 44 Cb -0.08 -3.10 1.85 0.00 0.00 0.00 0.00 23.12 21.78 1wfv s ALA 44 CO 0.01 -0.84 2.24 1.05 0.00 0.00 0.00 175.76 178.22 1wfv h GLU 45 N 7.83 0.00 -0.15 0.00 4.11 -1.99 -1.23 114.58 123.15 1wfv h GLU 45 Ca -0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1wfv h GLU 45 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1wfv h GLU 45 CO 0.80 0.02 -0.10 -3.47 0.07 0.00 0.00 179.01 176.32 1wfv n ASP 46 N -3.71 2.68 -4.91 3.06 2.03 -1.26 -4.96 116.55 109.48 1wfv n ASP 46 Ca -0.03 -3.36 -0.20 0.00 0.52 0.00 0.00 54.79 51.72 1wfv n ASP 46 Cb 0.11 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 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 1.97 0.41 0.27 0.00 -0.46 -4.98 107.32 101.91 1wfv s GLY 47 Ca 0.39 -1.75 0.20 0.00 0.00 0.00 0.00 44.72 43.55 1wfv s GLY 47 CO 0.02 -1.60 1.83 -0.56 0.00 0.00 0.00 173.10 172.79 1wfv h PRO 48 N 0.99 0.00 0.22 2.90 0.13 -1.85 -3.27 132.00 131.12 1wfv h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wfv h PRO 48 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wfv h PRO 48 CO 0.55 0.31 -0.11 0.00 -0.23 0.00 0.00 178.00 178.52 1wfv h ALA 49 N 1.69 -0.82 -0.25 -0.56 0.00 -1.80 -1.21 119.26 116.32 1wfv h ALA 49 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wfv h ALA 49 Cb 0.72 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wfv h ALA 49 CO 0.04 -0.79 0.82 0.97 0.00 0.00 0.00 179.25 180.28 1wfv h ILE 50 N -0.38 0.04 0.06 0.00 2.10 -1.71 1.57 117.51 119.18 1wfv h ILE 50 Ca -0.03 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.61 1wfv h ILE 50 Cb 0.23 0.24 -0.03 0.00 -1.09 0.00 0.00 36.82 36.17 1wfv h ILE 50 CO 0.05 0.00 -1.61 0.03 -1.08 0.00 0.00 178.15 175.54 1wfv h ARG 51 N 0.00 0.12 0.48 2.19 3.08 -1.56 -3.37 114.38 115.31 1wfv h ARG 51 Ca 0.12 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1wfv h ARG 51 Cb 1.75 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 1wfv h ARG 51 CO -0.00 0.86 -0.39 -0.97 -1.07 0.00 0.00 179.97 178.40 1wfv h ASN 52 N 0.03 -1.03 0.00 7.04 -1.24 0.35 -3.47 115.58 117.26 1wfv h ASN 52 Ca -0.26 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1wfv h ASN 52 Cb 1.99 0.33 0.00 0.00 0.73 0.00 0.00 38.32 41.37 1wfv h ASN 52 CO 0.11 -0.57 0.00 0.61 -1.29 0.00 0.00 177.43 176.30 1wfv n GLY 53 N -1.50 2.59 0.57 1.57 0.00 -1.14 -4.81 105.19 102.47 1wfv n GLY 53 Ca -0.11 -0.58 0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -4.44 1.61 1.74 -1.26 -4.26 116.66 110.05 1wfv n ARG 54 Ca 0.00 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.75 1wfv n ARG 54 Cb 0.00 -2.06 -0.10 0.00 -1.02 0.00 0.00 32.46 29.27 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 -4.47 1.58 0.20 5.56 0.23 -1.26 -4.91 119.30 116.22 1wfv s MET 55 Ca -0.04 -1.75 -0.05 0.00 -1.03 0.00 0.00 55.69 52.81 1wfv s MET 55 Cb 0.21 -1.44 0.02 0.00 -1.53 0.00 0.00 34.83 32.09 1wfv s MET 55 CO 0.70 0.19 0.36 0.54 -2.03 0.00 0.00 175.02 174.79 1wfv n ARG 56 N -0.58 0.52 -3.10 3.16 3.00 -1.26 -4.88 116.66 113.52 1wfv n ARG 56 Ca -0.06 -1.29 -0.39 0.00 -0.01 0.00 0.00 57.85 56.10 1wfv n ARG 56 Cb 0.61 1.46 -0.05 0.00 0.00 0.00 0.00 32.46 34.48 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 -2.57 4.80 0.00 1.55 1.01 -1.26 -3.89 120.40 120.05 1wfv s VAL 57 Ca 0.11 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1wfv s VAL 57 Cb -0.02 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1wfv s VAL 57 CO 0.08 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1wfv n GLY 58 N 2.36 0.86 3.91 4.51 0.00 -1.18 -5.03 105.19 110.63 1wfv n GLY 58 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.26 6.38 -0.35 1.61 1.01 -1.25 -4.91 116.67 116.90 1wfv s ASP 59 Ca 0.00 0.79 -0.07 0.00 0.71 0.00 0.00 52.55 53.98 1wfv s ASP 59 Cb 0.00 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.79 1wfv s ASP 59 CO 0.00 -0.35 0.12 -1.58 0.21 0.00 0.00 175.17 173.57 1wfv s GLN 60 N -4.08 2.62 0.12 8.23 -0.44 -1.26 -2.33 119.66 122.51 1wfv s GLN 60 Ca 0.45 -1.20 -0.28 0.00 -2.50 0.00 0.00 55.36 51.84 1wfv s GLN 60 Cb -0.10 -3.50 -0.06 0.00 -1.64 0.00 0.00 33.01 27.70 1wfv s GLN 60 CO 0.35 -0.69 0.86 0.42 0.50 0.00 0.00 175.29 176.74 1wfv s ILE 61 N 1.41 4.50 -0.02 -2.34 1.01 0.27 -4.30 121.20 121.73 1wfv s ILE 61 Ca -0.01 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.54 1wfv s ILE 61 Cb -0.20 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1wfv s ILE 61 CO 0.03 0.39 0.03 2.30 0.00 0.00 0.00 174.94 177.69 1wfv n ILE 62 N 2.42 0.15 -4.50 2.92 -0.00 -1.12 -3.74 119.36 115.48 1wfv n ILE 62 Ca -0.01 -0.12 -0.22 0.00 -0.00 0.00 0.00 62.75 62.40 1wfv n ILE 62 Cb 0.49 -0.47 -0.16 0.00 -0.00 0.00 0.00 39.64 39.51 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 -2.13 1.19 -0.08 6.28 2.56 -1.25 -0.96 118.70 124.30 1wfv s GLU 63 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.97 54.58 1wfv s GLU 63 Cb 0.01 -1.08 0.02 0.00 2.00 0.00 0.00 34.13 35.09 1wfv s GLU 63 CO 0.13 0.14 -0.05 0.42 -0.56 0.00 0.00 175.26 175.34 1wfv s ILE 64 N 0.20 0.73 -1.06 -3.70 1.01 -0.35 -0.16 121.20 117.87 1wfv s ILE 64 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1wfv s ILE 64 Cb -0.10 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1wfv s ILE 64 CO 0.01 0.30 0.31 0.59 0.00 0.00 0.00 174.94 176.15 1wfv n ASN 65 N 4.65 -3.15 -0.53 3.58 3.02 0.17 0.48 115.26 123.48 1wfv n ASN 65 Ca -0.15 -0.18 -0.04 0.00 -0.03 0.00 0.00 54.58 54.18 1wfv n ASN 65 Cb 0.50 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 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 -0.97 0.33 3.11 7.41 0.00 -1.26 -5.02 105.19 108.79 1wfv n GLY 66 Ca -0.03 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.40 1.35 -0.58 1.61 0.41 0.18 -5.08 118.70 112.19 1wfv s GLU 67 Ca 0.02 -0.52 -0.26 0.00 -0.41 0.00 0.00 54.97 53.79 1wfv s GLU 67 Cb -0.01 -1.25 -0.03 0.00 -1.78 0.00 0.00 34.13 31.06 1wfv s GLU 67 CO 0.03 0.27 1.97 -1.12 -0.49 0.00 0.00 175.26 175.91 1wfv s SER 68 N -0.15 5.12 0.00 -0.19 0.01 -1.26 -1.21 113.70 116.02 1wfv s SER 68 Ca 0.02 0.50 0.10 0.00 1.31 0.00 0.00 55.95 57.88 1wfv s SER 68 Cb -0.08 -2.52 0.56 0.00 0.21 0.00 0.00 66.02 64.19 1wfv s SER 68 CO 0.00 -2.46 1.13 0.35 0.41 0.00 0.00 173.24 172.67 1wfv n THR 69 N 7.37 0.38 0.25 1.44 -2.24 -0.13 -2.18 114.28 119.16 1wfv n THR 69 Ca 0.24 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1wfv n THR 69 Cb 0.52 -0.93 0.55 0.00 -2.10 0.00 0.00 70.33 68.37 1wfv n THR 69 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1wfv h ARG 70 N 0.00 0.00 -1.49 -0.78 2.43 -1.87 -3.24 114.38 109.43 1wfv h ARG 70 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1wfv h ARG 70 Cb 0.05 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.18 1wfv h ARG 70 CO 0.00 0.11 -0.92 -0.40 -1.51 0.00 0.00 179.97 177.26 1wfv n ASP 71 N -3.25 3.26 -3.81 -3.80 5.75 -0.92 -4.91 116.55 108.88 1wfv n ASP 71 Ca 0.01 -3.32 -0.12 0.00 -0.01 0.00 0.00 54.79 51.34 1wfv n ASP 71 Cb 0.38 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.86 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1wfv s MET 72 N -3.30 0.47 0.52 0.11 -1.94 -1.22 -5.02 119.30 108.93 1wfv s MET 72 Ca 0.41 -0.05 -0.01 0.00 -1.71 0.00 0.00 55.69 54.33 1wfv s MET 72 Cb 0.40 0.21 0.02 0.00 2.01 0.00 0.00 34.83 37.47 1wfv s MET 72 CO -0.10 -0.11 0.76 0.95 -0.01 0.00 0.00 175.02 176.52 1wfv s THR 73 N -0.80 3.35 0.61 2.05 -4.23 -1.26 -0.43 115.64 114.93 1wfv s THR 73 Ca -0.09 -0.48 0.29 0.00 -1.18 0.00 0.00 61.69 60.23 1wfv s THR 73 Cb -0.05 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.88 1wfv s THR 73 CO 0.02 -0.21 1.96 -0.74 -0.54 0.00 0.00 174.62 175.11 1wfv h HIS 74 N 0.14 0.00 0.04 3.99 2.76 -1.84 -1.36 115.15 118.88 1wfv h HIS 74 Ca -0.44 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1wfv h HIS 74 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1wfv h HIS 74 CO 0.42 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 177.03 1wfv h ALA 75 N 1.51 -0.06 -0.35 5.26 0.00 -1.92 -3.01 119.26 120.69 1wfv h ALA 75 Ca 0.12 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1wfv h ALA 75 Cb 0.84 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1wfv h ALA 75 CO -0.00 -0.18 -0.33 -0.09 0.00 0.00 0.00 179.25 178.64 1wfv h ARG 76 N -0.76 -0.28 -0.36 0.00 9.65 -1.62 -0.88 114.38 120.14 1wfv h ARG 76 Ca -0.01 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1wfv h ARG 76 Cb 0.65 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.22 1wfv h ARG 76 CO 0.01 -0.18 -0.09 0.00 2.80 0.00 0.00 179.97 182.50 1wfv h ALA 77 N 0.67 0.23 0.00 2.80 0.00 -1.63 0.41 119.26 121.73 1wfv h ALA 77 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wfv h ALA 77 Cb 0.54 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wfv h ALA 77 CO -0.51 -0.46 0.00 0.82 0.00 0.00 0.00 179.25 179.10 1wfv h ILE 78 N -0.01 0.00 0.02 0.00 1.08 -1.14 -1.07 117.51 116.40 1wfv h ILE 78 Ca 0.17 -0.01 -0.35 0.00 -0.39 0.00 0.00 64.86 64.29 1wfv h ILE 78 Cb 0.27 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 1wfv h ILE 78 CO -0.37 0.00 -2.11 1.21 -0.69 0.00 0.00 178.15 176.19 1wfv n GLU 79 N -2.73 0.68 -0.09 2.37 2.13 0.83 -4.17 120.64 119.66 1wfv n GLU 79 Ca -0.02 0.17 -0.12 0.00 0.66 0.00 0.00 57.16 57.85 1wfv n GLU 79 Cb 0.06 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.13 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 0.91 -1.76 4.31 3.38 0.71 0.14 115.31 123.02 1wfv h LEU 80 Ca -0.44 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.14 1wfv h LEU 80 Cb 2.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1wfv h LEU 80 CO 0.04 1.19 0.23 0.40 0.09 0.00 0.00 178.44 180.39 1wfv h ILE 81 N 0.70 1.00 0.00 1.22 2.04 -1.43 -0.90 117.51 120.13 1wfv h ILE 81 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1wfv h ILE 81 Cb 0.97 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1wfv h ILE 81 CO 0.09 0.06 -1.27 2.29 0.00 0.00 0.00 178.15 179.32 1wfv n LYS 82 N -4.48 0.31 0.08 2.37 2.85 -1.12 -4.19 118.16 113.97 1wfv n LYS 82 Ca 0.03 -0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1wfv n LYS 82 Cb 0.19 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.15 0.12 -5.58 0.87 0.44 -3.27 113.55 106.28 1wfv h SER 83 Ca 0.00 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 1wfv h SER 83 Cb 0.74 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1wfv h SER 83 CO 0.00 1.07 -0.49 1.23 -0.53 0.00 0.00 176.83 178.11 1wfv h GLY 84 N 2.36 0.46 0.00 5.77 0.00 -1.38 -3.50 103.07 106.79 1wfv h GLY 84 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wfv h GLY 84 CO 0.15 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1wfv n GLY 85 N 0.08 0.29 0.04 4.60 0.00 -1.24 -4.70 105.19 104.26 1wfv n GLY 85 Ca -0.02 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.44 1.61 1.74 -1.26 -4.74 116.66 110.09 1wfv n ARG 86 Ca 0.00 -0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.68 1wfv n ARG 86 Cb 0.00 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 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 -3.37 3.48 -0.01 5.56 0.52 -1.26 0.24 118.95 124.10 1wfv s ARG 87 Ca -0.02 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1wfv s ARG 87 Cb 0.13 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 1wfv s ARG 87 CO 0.86 0.12 -0.22 0.54 0.02 0.00 0.00 175.30 176.62 1wfv s VAL 88 N 0.63 1.71 -0.08 3.52 0.11 -0.77 -4.81 120.40 120.70 1wfv s VAL 88 Ca -0.05 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1wfv s VAL 88 Cb -0.15 -1.42 0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1wfv s VAL 88 CO 0.03 0.46 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.63 1wfv s ARG 89 N -0.56 0.90 0.03 1.54 3.52 -1.26 -2.78 118.95 120.35 1wfv s ARG 89 Ca 0.08 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1wfv s ARG 89 Cb -0.08 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1wfv s ARG 89 CO -0.01 -0.26 -0.07 -0.48 -0.81 0.00 0.00 175.30 173.68 1wfv s LEU 90 N 1.73 2.23 -0.05 -0.88 2.34 -1.17 0.42 118.68 123.30 1wfv s LEU 90 Ca 0.02 -0.50 -0.27 0.00 0.06 0.00 0.00 54.13 53.44 1wfv s LEU 90 Cb -0.13 -0.12 -0.03 0.00 -0.56 0.00 0.00 46.19 45.36 1wfv s LEU 90 CO -0.05 -0.20 0.88 -0.22 -1.06 0.00 0.00 176.35 175.69 1wfv s LEU 91 N -1.44 4.32 0.02 1.48 0.20 0.77 -0.20 118.68 123.83 1wfv s LEU 91 Ca -0.10 1.45 -0.03 0.00 0.69 0.00 0.00 54.13 56.14 1wfv s LEU 91 Cb -0.09 -3.38 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 1wfv s LEU 91 CO 0.00 -0.24 0.03 -0.22 -0.29 0.00 0.00 176.35 175.63 1wfv s LEU 92 N 1.13 2.03 -0.10 -0.68 2.96 -0.02 -2.81 118.68 121.18 1wfv s LEU 92 Ca 0.46 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1wfv s LEU 92 Cb -0.19 0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.83 1wfv s LEU 92 CO 0.22 -0.38 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.12 1wfv s LYS 93 N -1.87 2.75 0.43 1.98 3.01 -1.26 -2.76 119.74 122.02 1wfv s LYS 93 Ca -0.12 -0.77 -0.23 0.00 -1.01 0.00 0.00 55.97 53.84 1wfv s LYS 93 Cb -0.06 -2.13 -0.08 0.00 -1.01 0.00 0.00 37.83 34.55 1wfv s LYS 93 CO -0.02 0.12 1.10 0.50 0.51 0.00 0.00 175.35 177.56 1wfv s ARG 94 N 0.49 3.99 -1.27 1.68 3.00 -1.26 -4.58 118.95 120.99 1wfv s ARG 94 Ca -0.16 1.63 -0.16 0.00 -1.00 0.00 0.00 55.73 56.03 1wfv s ARG 94 Cb -0.17 -2.48 0.11 0.00 0.00 0.00 0.00 34.95 32.41 1wfv s ARG 94 CO 0.06 -0.32 1.64 0.41 0.00 0.00 0.00 175.30 177.09 1wfv n GLY 95 N 0.38 2.92 0.08 8.12 0.00 -1.26 -4.56 105.19 110.86 1wfv n GLY 95 Ca 0.06 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 5.71 0.00 -0.03 2.61 5.66 -1.26 -5.12 114.28 121.86 1wfv n THR 96 Ca 0.45 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1wfv n THR 96 Cb 0.45 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 1wfv n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wfv n GLY 97 N 1.14 -3.52 2.02 1.09 0.00 -1.26 -4.47 105.19 100.19 1wfv n GLY 97 Ca 0.03 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 1wfv n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfv n SER 98 N -0.39 6.43 -3.71 1.61 7.64 -1.26 -4.86 113.62 119.07 1wfv n SER 98 Ca 0.00 -3.08 -0.24 0.00 1.01 0.00 0.00 58.87 56.57 1wfv n SER 98 Cb 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfv n GLY 99 N 0.53 -1.19 3.70 0.23 0.00 -1.26 -4.84 105.19 102.35 1wfv n GLY 99 Ca 0.34 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.59 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 -4.59 4.31 -0.81 1.61 0.04 -1.26 -4.98 135.00 129.30 1wfv s PRO 100 Ca 0.03 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wfv s PRO 100 Cb -0.00 -3.41 0.20 0.00 0.04 0.00 0.00 34.50 31.33 1wfv s PRO 100 CO 0.88 -0.50 0.68 -1.54 0.04 0.00 0.00 177.00 176.56 1wfv s SER 101 N 1.50 5.79 -0.10 6.66 1.04 -1.26 -5.02 113.70 122.32 1wfv s SER 101 Ca 0.64 -3.43 -0.30 0.00 0.48 0.00 0.00 55.95 53.34 1wfv s SER 101 Cb -0.34 -1.90 0.07 0.00 0.10 0.00 0.00 66.02 63.94 1wfv s SER 101 CO 0.29 -0.25 0.69 -0.55 0.98 0.00 0.00 173.24 174.39 1wfv s SER 102 N 0.17 -0.68 0.00 7.02 0.15 -1.26 -5.32 113.70 113.79 1wfv s SER 102 Ca 0.24 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1wfv s SER 102 Cb -0.11 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1wfv s SER 102 CO -0.10 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.42