#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv h SER 2 N 0.00 -0.11 -2.74 1.61 0.87 -2.13 -3.27 113.55 107.78 1wfv h SER 2 Ca 0.00 0.04 -0.77 0.00 -1.23 0.00 0.00 61.79 59.83 1wfv h SER 2 Cb 0.00 0.08 -0.22 0.00 -0.44 0.00 0.00 62.40 61.82 1wfv h SER 2 CO 0.00 -0.04 1.00 -0.24 -0.53 0.00 0.00 176.83 177.02 1wfv n SER 3 N -5.15 5.38 -3.15 6.23 2.88 -1.26 -5.00 113.62 113.54 1wfv n SER 3 Ca -0.04 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1wfv n SER 3 Cb 0.09 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfv n GLY 4 N 3.38 -0.79 3.56 0.46 0.00 -1.23 -4.91 105.19 105.66 1wfv n GLY 4 Ca 0.31 -1.53 -0.52 0.00 0.00 0.00 0.00 46.02 44.29 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 1.07 -4.38 1.61 7.64 -1.26 -4.88 113.62 113.41 1wfv n SER 5 Ca 0.00 1.14 -0.45 0.00 1.01 0.00 0.00 58.87 60.57 1wfv n SER 5 Cb 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 1wfv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfv s SER 6 N 0.15 6.32 0.00 6.43 0.01 -1.26 -4.87 113.70 120.48 1wfv s SER 6 Ca 0.81 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1wfv s SER 6 Cb -0.98 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 62.93 1wfv s SER 6 CO 0.51 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1wfv n GLY 7 N 5.16 -1.14 2.74 3.44 0.00 -1.26 -5.12 105.19 109.02 1wfv n GLY 7 Ca -0.01 0.91 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 1wfv n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfv s GLN 8 N 0.00 1.39 0.97 1.61 -1.52 -1.26 -5.12 119.66 115.73 1wfv s GLN 8 Ca 0.00 -2.10 -0.16 0.00 -1.95 0.00 0.00 55.36 51.15 1wfv s GLN 8 Cb 0.00 -2.48 -0.10 0.00 -0.22 0.00 0.00 33.01 30.21 1wfv s GLN 8 CO 0.00 -1.16 -0.44 -0.40 -0.25 0.00 0.00 175.29 173.04 1wfv n ASP 9 N 3.47 -4.84 -3.63 5.90 5.68 -1.26 -5.02 116.55 116.84 1wfv n ASP 9 Ca 0.08 0.24 -0.04 0.00 -0.50 0.00 0.00 54.79 54.57 1wfv n ASP 9 Cb 0.34 -0.89 -0.07 0.00 -1.14 0.00 0.00 41.12 39.37 1wfv n ASP 9 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1wfv s PHE 10 N -2.10 -0.84 -1.12 2.11 -0.71 -1.26 -4.96 117.98 109.09 1wfv s PHE 10 Ca 0.45 1.66 -0.03 0.00 -1.04 0.00 0.00 56.93 57.97 1wfv s PHE 10 Cb -0.20 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1wfv s PHE 10 CO 0.78 -0.42 0.96 -3.47 -1.34 0.00 0.00 175.22 171.73 1wfv n ASP 11 N 4.12 -3.70 -4.57 1.98 2.03 -1.26 -4.63 116.55 110.52 1wfv n ASP 11 Ca -0.19 -0.52 -0.38 0.00 0.52 0.00 0.00 54.79 54.22 1wfv n ASP 11 Cb 0.58 -4.56 -0.03 0.00 -0.72 0.00 0.00 41.12 36.39 1wfv n ASP 11 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1wfv s TYR 12 N -3.30 2.44 0.15 -0.67 1.51 -1.26 -3.93 117.35 112.28 1wfv s TYR 12 Ca 0.22 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.64 1wfv s TYR 12 Cb -0.10 -4.56 -0.04 0.00 -0.11 0.00 0.00 41.96 37.16 1wfv s TYR 12 CO 0.65 -1.81 -0.01 -0.59 -1.11 0.00 0.00 175.55 172.67 1wfv s PHE 13 N 6.08 2.86 0.40 2.71 -0.12 -0.98 -4.96 117.98 123.97 1wfv s PHE 13 Ca 0.54 -0.12 0.00 0.00 -0.05 0.00 0.00 56.93 57.30 1wfv s PHE 13 Cb -0.00 -1.41 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 1wfv s PHE 13 CO -0.02 0.50 0.61 0.95 -0.05 0.00 0.00 175.22 177.21 1wfv s THR 14 N -1.59 4.55 0.05 -4.49 -4.23 -1.26 0.02 115.64 108.69 1wfv s THR 14 Ca 0.26 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1wfv s THR 14 Cb -0.10 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1wfv s THR 14 CO 0.18 -0.46 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.92 1wfv s VAL 15 N -2.44 1.53 -0.06 2.29 1.01 0.57 -4.82 120.40 118.48 1wfv s VAL 15 Ca 0.44 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1wfv s VAL 15 Cb -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1wfv s VAL 15 CO 0.37 0.13 -0.00 -0.62 0.00 0.00 0.00 175.10 174.97 1wfv s ASP 16 N -1.25 1.28 0.32 3.32 -1.08 -1.26 -2.97 116.67 115.03 1wfv s ASP 16 Ca 0.06 -0.08 -0.13 0.00 -0.52 0.00 0.00 52.55 51.88 1wfv s ASP 16 Cb -0.09 -0.40 0.02 0.00 -1.46 0.00 0.00 42.92 41.00 1wfv s ASP 16 CO 0.02 -0.16 0.63 -0.04 0.52 0.00 0.00 175.17 176.15 1wfv s MET 17 N 1.64 1.92 0.47 4.34 -1.94 -1.11 -4.96 119.30 119.66 1wfv s MET 17 Ca -0.00 -1.37 0.05 0.00 -1.71 0.00 0.00 55.69 52.65 1wfv s MET 17 Cb -0.13 0.55 -0.03 0.00 2.01 0.00 0.00 34.83 37.23 1wfv s MET 17 CO -0.04 -0.85 0.11 -1.21 -0.01 0.00 0.00 175.02 173.02 1wfv s GLU 18 N -3.20 2.15 0.61 2.03 8.01 -1.26 -1.71 118.70 125.33 1wfv s GLU 18 Ca 0.19 -2.13 -0.05 0.00 0.01 0.00 0.00 54.97 52.99 1wfv s GLU 18 Cb -0.03 -1.76 0.03 0.00 -4.31 0.00 0.00 34.13 28.06 1wfv s GLU 18 CO 0.12 -0.26 0.90 0.21 0.01 0.00 0.00 175.26 176.24 1wfv s LYS 19 N -3.90 2.65 0.00 1.61 2.20 0.64 -4.53 119.74 118.41 1wfv s LYS 19 Ca 0.26 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1wfv s LYS 19 Cb 0.04 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1wfv s LYS 19 CO 0.14 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1wfv n GLY 20 N -2.61 2.57 0.07 5.54 0.00 0.36 -4.88 105.19 106.24 1wfv n GLY 20 Ca 0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.20 4.61 0.00 -1.99 -3.40 119.26 119.34 1wfv h ALA 21 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1wfv h ALA 21 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1wfv h ALA 21 CO 0.00 0.32 -0.12 1.17 0.00 0.00 0.00 179.25 180.62 1wfv n LYS 22 N -4.63 1.95 0.00 0.00 4.81 -1.26 -5.07 118.16 113.96 1wfv n LYS 22 Ca -0.11 -3.01 0.00 0.00 -0.87 0.00 0.00 58.31 54.33 1wfv n LYS 22 Cb 0.30 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfv n GLY 23 N -1.04 0.81 1.48 3.14 0.00 -1.26 -4.82 105.19 103.50 1wfv n GLY 23 Ca 0.25 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 6.15 0.36 -4.04 1.61 3.01 -1.26 0.14 117.46 123.42 1wfv n PHE 24 Ca 0.00 -1.09 -0.36 0.00 1.01 0.00 0.00 57.45 57.02 1wfv n PHE 24 Cb 0.00 -0.54 -0.07 0.00 -0.01 0.00 0.00 39.48 38.86 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 1.00 -0.33 3.36 1.37 0.00 -1.26 -3.25 105.19 106.09 1wfv n GLY 25 Ca 0.07 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.91 -0.55 0.33 1.61 -0.12 -1.26 0.22 117.98 115.30 1wfv s PHE 26 Ca 0.68 1.30 0.08 0.00 -0.05 0.00 0.00 56.93 58.95 1wfv s PHE 26 Cb -0.40 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1wfv s PHE 26 CO 0.86 -0.27 0.11 0.45 -0.05 0.00 0.00 175.22 176.32 1wfv s SER 27 N 0.45 4.60 0.32 1.98 0.15 -0.04 -5.01 113.70 116.15 1wfv s SER 27 Ca -0.02 -0.79 0.05 0.00 0.70 0.00 0.00 55.95 55.89 1wfv s SER 27 Cb -0.04 -0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 63.49 1wfv s SER 27 CO -0.02 -0.27 0.03 0.27 1.20 0.00 0.00 173.24 174.45 1wfv s ILE 28 N -2.43 1.36 0.11 6.45 -4.36 -1.26 -1.52 121.20 119.55 1wfv s ILE 28 Ca 0.37 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1wfv s ILE 28 Cb -0.02 -2.72 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 1wfv s ILE 28 CO 0.22 -0.08 0.23 0.00 0.24 0.00 0.00 174.94 175.55 1wfv s ARG 29 N -3.84 0.95 1.31 0.37 1.70 0.22 -4.28 118.95 115.38 1wfv s ARG 29 Ca 0.34 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1wfv s ARG 29 Cb 0.08 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1wfv s ARG 29 CO 0.15 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 1wfv n GLY 30 N -0.11 -1.85 0.00 3.88 0.00 -1.26 -0.89 105.19 104.96 1wfv n GLY 30 Ca -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 3.10 0.47 -0.02 0.00 0.30 -3.38 105.19 105.66 1wfv n GLY 31 Ca 0.00 -1.87 0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.51 1.61 2.47 -0.66 0.51 114.38 117.80 1wfv h ARG 32 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 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 0.23 1.49 0.56 0.00 0.00 179.97 182.25 1wfv h GLU 33 N 0.00 0.72 -0.40 0.04 4.81 -1.88 -2.38 114.58 115.49 1wfv h GLU 33 Ca 0.41 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1wfv h GLU 33 Cb 1.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.11 1wfv h GLU 33 CO -0.00 0.57 0.00 0.66 -0.73 0.00 0.00 179.01 179.51 1wfv n TYR 34 N -4.37 0.63 -3.57 0.92 4.01 0.16 -4.97 117.16 109.97 1wfv n TYR 34 Ca 0.04 -0.55 -0.21 0.00 -0.16 0.00 0.00 57.90 57.03 1wfv n TYR 34 Cb 0.14 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.57 -6.35 -3.75 -0.72 4.76 -0.23 -4.88 118.16 107.57 1wfv n LYS 35 Ca 0.15 0.76 -0.10 0.00 -2.87 0.00 0.00 58.31 56.26 1wfv n LYS 35 Cb 0.52 -5.66 -0.05 0.00 -1.84 0.00 0.00 35.03 28.00 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 -5.81 1.16 1.04 1.97 0.23 -0.91 -4.98 119.30 112.01 1wfv s MET 36 Ca 0.17 -0.88 -0.13 0.00 -1.03 0.00 0.00 55.69 53.82 1wfv s MET 36 Cb -0.08 0.46 0.21 0.00 -1.53 0.00 0.00 34.83 33.89 1wfv s MET 36 CO 0.76 -0.46 1.09 -0.51 -2.03 0.00 0.00 175.02 173.88 1wfv s ASP 37 N -2.86 2.29 -0.33 -1.18 1.11 -1.26 -0.54 116.67 113.89 1wfv s ASP 37 Ca 0.08 1.09 -0.16 0.00 0.18 0.00 0.00 52.55 53.74 1wfv s ASP 37 Cb 0.02 -1.71 -0.01 0.00 1.07 0.00 0.00 42.92 42.28 1wfv s ASP 37 CO -0.07 -3.33 0.41 -0.76 1.18 0.00 0.00 175.17 172.61 1wfv s LEU 38 N -6.56 4.33 0.37 1.23 1.43 -1.24 -2.97 118.68 115.28 1wfv s LEU 38 Ca 0.66 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.78 1wfv s LEU 38 Cb -0.18 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1wfv s LEU 38 CO 0.58 -0.35 0.14 -0.31 0.23 0.00 0.00 176.35 176.63 1wfv s TYR 39 N 2.14 2.63 -0.68 0.29 1.51 -0.06 0.33 117.35 123.51 1wfv s TYR 39 Ca 0.15 -0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 55.46 1wfv s TYR 39 Cb -0.16 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1wfv s TYR 39 CO 0.12 0.29 1.15 0.08 -1.11 0.00 0.00 175.55 176.08 1wfv s VAL 40 N -2.52 3.98 0.04 0.71 1.01 -1.18 0.73 120.40 123.16 1wfv s VAL 40 Ca 0.39 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1wfv s VAL 40 Cb 0.01 -4.79 -0.07 0.00 0.00 0.00 0.00 36.38 31.53 1wfv s VAL 40 CO 0.22 -1.60 1.22 0.25 0.00 0.00 0.00 175.10 175.19 1wfv h LEU 41 N 12.24 -0.58 -7.47 3.92 7.12 -1.45 -2.65 115.31 126.43 1wfv h LEU 41 Ca -0.28 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.67 1wfv h LEU 41 Cb 1.06 0.20 -0.20 0.00 -0.53 0.00 0.00 40.66 41.19 1wfv h LEU 41 CO 1.22 -0.25 -0.24 -0.60 -0.13 0.00 0.00 178.44 178.44 1wfv s ARG 42 N -4.11 0.70 0.10 1.25 3.00 -1.25 -4.71 118.95 113.93 1wfv s ARG 42 Ca -0.07 -0.16 0.04 0.00 -1.00 0.00 0.00 55.73 54.53 1wfv s ARG 42 Cb 0.02 0.31 -0.04 0.00 0.00 0.00 0.00 34.95 35.24 1wfv s ARG 42 CO 0.24 -0.20 0.08 -0.51 0.00 0.00 0.00 175.30 174.91 1wfv s LEU 43 N -1.34 3.75 -0.28 -0.88 1.43 -1.26 -0.86 118.68 119.24 1wfv s LEU 43 Ca -0.13 -0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 1wfv s LEU 43 Cb -0.05 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1wfv s LEU 43 CO 0.05 0.15 0.64 0.00 0.23 0.00 0.00 176.35 177.42 1wfv s ALA 44 N -1.46 3.57 0.61 4.21 0.00 0.13 -4.93 121.76 123.90 1wfv s ALA 44 Ca 0.29 -0.53 0.34 0.00 0.00 0.00 0.00 51.96 52.06 1wfv s ALA 44 Cb -0.12 -3.09 1.97 0.00 0.00 0.00 0.00 23.12 21.89 1wfv s ALA 44 CO 0.22 -0.96 2.27 1.05 0.00 0.00 0.00 175.76 178.34 1wfv h GLU 45 N 8.04 0.00 -0.14 0.00 4.11 -1.99 -0.79 114.58 123.81 1wfv h GLU 45 Ca -0.26 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.11 1wfv h GLU 45 Cb 1.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1wfv h GLU 45 CO 0.80 0.00 -0.17 -3.47 0.07 0.00 0.00 179.01 176.23 1wfv n ASP 46 N -3.63 2.44 -4.82 3.06 2.03 -1.26 -4.96 116.55 109.41 1wfv n ASP 46 Ca -0.03 -3.52 -0.22 0.00 0.52 0.00 0.00 54.79 51.54 1wfv n ASP 46 Cb 0.10 -0.54 -0.04 0.00 -0.72 0.00 0.00 41.12 39.92 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 -2.74 2.01 0.40 0.27 0.00 -0.30 -5.02 107.32 101.94 1wfv s GLY 47 Ca 0.39 -1.83 0.19 0.00 0.00 0.00 0.00 44.72 43.47 1wfv s GLY 47 CO -0.00 -1.70 1.81 -0.56 0.00 0.00 0.00 173.10 172.66 1wfv h PRO 48 N 1.25 0.00 0.44 2.90 0.13 -1.85 -3.25 132.00 131.62 1wfv h PRO 48 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1wfv h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.60 0.33 -0.21 0.00 -0.23 0.00 0.00 178.00 178.49 1wfv h ALA 49 N 1.67 -0.88 -0.48 -0.56 0.00 -1.77 -1.97 119.26 115.27 1wfv h ALA 49 Ca -0.00 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1wfv h ALA 49 Cb 0.75 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wfv h ALA 49 CO 0.04 -0.84 0.76 0.97 0.00 0.00 0.00 179.25 180.18 1wfv h ILE 50 N -0.76 0.13 0.03 0.00 2.10 -1.71 1.26 117.51 118.55 1wfv h ILE 50 Ca -0.06 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.63 1wfv h ILE 50 Cb 0.46 0.35 -0.03 0.00 -1.09 0.00 0.00 36.82 36.51 1wfv h ILE 50 CO 0.10 0.00 -1.26 0.03 -1.08 0.00 0.00 178.15 175.94 1wfv h ARG 51 N 0.00 0.06 0.77 2.19 3.08 -1.55 -3.36 114.38 115.58 1wfv h ARG 51 Ca 0.23 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1wfv h ARG 51 Cb 1.74 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.83 1wfv h ARG 51 CO -0.00 0.92 -0.47 -0.97 -1.07 0.00 0.00 179.97 178.37 1wfv h ASN 52 N 0.02 -1.20 0.00 7.04 -1.24 0.24 -3.47 115.58 116.97 1wfv h ASN 52 Ca -0.12 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1wfv h ASN 52 Cb 1.88 0.35 0.00 0.00 0.73 0.00 0.00 38.32 41.28 1wfv h ASN 52 CO 0.13 -0.73 0.00 0.61 -1.29 0.00 0.00 177.43 176.15 1wfv n GLY 53 N -1.61 2.73 0.58 1.57 0.00 -1.17 -4.82 105.19 102.47 1wfv n GLY 53 Ca -0.15 -0.66 0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.53 1.61 5.12 -1.26 -4.13 116.66 113.47 1wfv n ARG 54 Ca 0.00 0.91 -0.25 0.00 -1.93 0.00 0.00 57.85 56.58 1wfv n ARG 54 Cb 0.00 -2.12 -0.14 0.00 -1.16 0.00 0.00 32.46 29.04 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 -4.48 1.28 0.25 5.56 0.23 -1.26 -4.95 119.30 115.93 1wfv s MET 55 Ca -0.04 -0.97 0.06 0.00 -1.03 0.00 0.00 55.69 53.71 1wfv s MET 55 Cb 0.21 -1.42 -0.02 0.00 -1.53 0.00 0.00 34.83 32.07 1wfv s MET 55 CO 0.70 0.35 0.21 0.54 -2.03 0.00 0.00 175.02 174.80 1wfv n ARG 56 N 1.68 0.31 -2.80 3.16 3.00 -1.26 -4.83 116.66 115.92 1wfv n ARG 56 Ca -0.18 -2.49 -0.40 0.00 -0.01 0.00 0.00 57.85 54.77 1wfv n ARG 56 Cb 0.53 2.05 -0.06 0.00 0.00 0.00 0.00 32.46 34.99 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 -3.01 4.25 0.00 1.55 1.01 -1.26 -3.60 120.40 119.34 1wfv s VAL 57 Ca 0.30 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.26 1wfv s VAL 57 Cb 0.01 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1wfv s VAL 57 CO 0.21 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1wfv n GLY 58 N 1.71 3.16 3.34 4.51 0.00 -1.00 -4.98 105.19 111.94 1wfv n GLY 58 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1wfv n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfv n ASP 59 N 0.09 -2.17 -4.08 1.61 8.00 -1.24 -4.72 116.55 114.05 1wfv n ASP 59 Ca 0.00 -0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.05 1wfv n ASP 59 Cb 0.00 -1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 39.88 1wfv n ASP 59 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wfv s GLN 60 N -3.77 2.61 -0.15 -1.24 -0.44 -1.26 -3.11 119.66 112.30 1wfv s GLN 60 Ca 0.60 -0.86 -0.19 0.00 -2.50 0.00 0.00 55.36 52.41 1wfv s GLN 60 Cb -0.17 -2.51 -0.04 0.00 -1.64 0.00 0.00 33.01 28.65 1wfv s GLN 60 CO 0.66 -0.30 0.55 0.42 0.50 0.00 0.00 175.29 177.11 1wfv s ILE 61 N 1.31 5.12 -0.24 -2.34 1.01 0.15 -3.12 121.20 123.08 1wfv s ILE 61 Ca 0.02 1.07 0.16 0.00 0.00 0.00 0.00 60.65 61.90 1wfv s ILE 61 Cb -0.15 -3.88 -0.22 0.00 0.01 0.00 0.00 42.46 38.22 1wfv s ILE 61 CO -0.11 0.24 0.45 2.30 0.00 0.00 0.00 174.94 177.82 1wfv n ILE 62 N 4.09 0.00 -3.96 2.92 -0.00 -0.53 -3.63 119.36 118.25 1wfv n ILE 62 Ca -0.05 -0.29 -0.10 0.00 -0.00 0.00 0.00 62.75 62.32 1wfv n ILE 62 Cb 0.51 0.41 -0.11 0.00 -0.00 0.00 0.00 39.64 40.44 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 -2.91 0.31 -0.06 6.28 2.12 -1.20 -2.91 118.70 120.33 1wfv s GLU 63 Ca -0.02 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.76 1wfv s GLU 63 Cb 0.11 0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.65 1wfv s GLU 63 CO 0.66 -0.05 0.10 0.42 -0.54 0.00 0.00 175.26 175.84 1wfv s ILE 64 N -1.31 -0.16 -1.20 -3.70 1.01 -0.94 -1.52 121.20 113.37 1wfv s ILE 64 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1wfv s ILE 64 Cb -0.09 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1wfv s ILE 64 CO -0.01 0.16 0.00 0.59 0.00 0.00 0.00 174.94 175.69 1wfv n ASN 65 N 5.31 -3.94 -0.19 3.58 3.02 0.19 -0.55 115.26 122.68 1wfv n ASN 65 Ca -0.04 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1wfv n ASN 65 Cb 0.50 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 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 -0.67 0.73 3.33 7.41 0.00 -1.25 -5.00 105.19 109.73 1wfv n GLY 66 Ca -0.15 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.00 1.27 -0.78 1.61 0.41 0.29 -5.09 118.70 112.41 1wfv s GLU 67 Ca 0.00 -1.52 -0.23 0.00 -0.41 0.00 0.00 54.97 52.81 1wfv s GLU 67 Cb 0.00 -1.09 0.07 0.00 -1.78 0.00 0.00 34.13 31.34 1wfv s GLU 67 CO 0.00 0.19 1.13 -1.54 -0.49 0.00 0.00 175.26 174.55 1wfv s SER 68 N -3.13 6.31 0.00 -0.19 1.04 -1.26 -2.21 113.70 114.26 1wfv s SER 68 Ca 0.20 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1wfv s SER 68 Cb -0.02 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1wfv s SER 68 CO 0.06 -1.45 0.96 0.35 0.98 0.00 0.00 173.24 174.13 1wfv n THR 69 N 6.07 1.85 0.23 2.02 -2.24 -1.15 -1.25 114.28 119.81 1wfv n THR 69 Ca 0.09 0.48 0.10 0.00 -2.27 0.00 0.00 64.05 62.45 1wfv n THR 69 Cb 0.48 -1.48 0.57 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.60 -0.78 9.65 -1.89 -3.14 114.38 116.62 1wfv h ARG 70 Ca 0.00 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 1wfv h ARG 70 Cb 0.04 0.00 -0.42 0.00 -1.39 0.00 0.00 29.97 28.21 1wfv h ARG 70 CO 0.00 0.21 -0.79 -3.47 2.80 0.00 0.00 179.97 178.72 1wfv n ASP 71 N -3.65 4.11 -3.76 -3.80 2.03 -0.38 -4.86 116.55 106.24 1wfv n ASP 71 Ca -0.01 -3.56 -0.13 0.00 0.52 0.00 0.00 54.79 51.61 1wfv n ASP 71 Cb 0.33 -0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 40.14 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1wfv s MET 72 N -3.44 0.53 0.31 -0.67 1.00 -1.19 -5.01 119.30 110.84 1wfv s MET 72 Ca 0.45 0.14 0.00 0.00 0.00 0.00 0.00 55.69 56.28 1wfv s MET 72 Cb 0.39 0.24 -0.04 0.00 0.00 0.00 0.00 34.83 35.42 1wfv s MET 72 CO -0.15 -0.11 0.51 0.95 0.00 0.00 0.00 175.02 176.22 1wfv s THR 73 N -0.57 5.12 0.56 2.05 -4.23 -1.26 -0.22 115.64 117.09 1wfv s THR 73 Ca -0.07 -0.44 0.42 0.00 -1.18 0.00 0.00 61.69 60.42 1wfv s THR 73 Cb -0.04 -3.83 0.62 0.00 1.34 0.00 0.00 72.50 70.59 1wfv s THR 73 CO 0.02 -0.46 1.67 -0.74 -0.54 0.00 0.00 174.62 174.57 1wfv h HIS 74 N 1.06 0.00 0.02 3.99 2.76 -1.84 0.37 115.15 121.50 1wfv h HIS 74 Ca -0.49 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1wfv h HIS 74 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1wfv h HIS 74 CO 0.52 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 177.14 1wfv h ALA 75 N 1.17 -0.02 -0.37 5.26 0.00 -1.92 -2.87 119.26 120.51 1wfv h ALA 75 Ca 0.71 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.44 1wfv h ALA 75 Cb 2.93 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.64 1wfv h ALA 75 CO -0.01 -0.25 -0.26 -0.09 0.00 0.00 0.00 179.25 178.65 1wfv h ARG 76 N -0.55 -0.19 -0.28 0.00 9.65 -0.64 -1.06 114.38 121.30 1wfv h ARG 76 Ca -0.00 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1wfv h ARG 76 Cb 0.53 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 1wfv h ARG 76 CO 0.00 -0.13 -0.08 0.00 2.80 0.00 0.00 179.97 182.57 1wfv h ALA 77 N 0.94 0.17 0.00 2.80 0.00 -1.57 0.32 119.26 121.92 1wfv h ALA 77 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wfv h ALA 77 Cb 0.48 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wfv h ALA 77 CO -0.49 -0.47 0.00 0.82 0.00 0.00 0.00 179.25 179.11 1wfv h ILE 78 N -0.01 0.00 0.02 0.00 1.08 -1.07 -1.08 117.51 116.45 1wfv h ILE 78 Ca 0.14 -0.01 -0.35 0.00 -0.39 0.00 0.00 64.86 64.25 1wfv h ILE 78 Cb 0.22 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 1wfv h ILE 78 CO -0.30 0.00 -2.12 1.21 -0.69 0.00 0.00 178.15 176.25 1wfv n GLU 79 N -2.60 0.68 -0.11 2.37 2.13 0.47 -4.17 120.64 119.40 1wfv n GLU 79 Ca -0.02 0.16 -0.14 0.00 0.66 0.00 0.00 57.16 57.83 1wfv n GLU 79 Cb 0.05 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.09 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 0.98 -1.73 4.31 3.38 0.64 0.65 115.31 123.55 1wfv h LEU 80 Ca -0.45 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.11 1wfv h LEU 80 Cb 2.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 1wfv h LEU 80 CO 0.03 1.27 0.31 0.40 0.09 0.00 0.00 178.44 180.54 1wfv h ILE 81 N 0.72 0.94 0.00 1.22 2.04 -1.44 -0.33 117.51 120.65 1wfv h ILE 81 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1wfv h ILE 81 Cb 1.02 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1wfv h ILE 81 CO 0.10 0.06 -1.04 2.29 0.00 0.00 0.00 178.15 179.56 1wfv n LYS 82 N -4.47 0.13 0.05 2.37 2.85 -1.14 -4.16 118.16 113.79 1wfv n LYS 82 Ca 0.06 -0.02 -0.07 0.00 -1.05 0.00 0.00 58.31 57.23 1wfv n LYS 82 Cb 0.29 -1.52 -0.12 0.00 -0.65 0.00 0.00 35.03 33.02 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 0.01 -0.22 -5.58 0.87 0.77 -3.32 113.55 106.06 1wfv h SER 83 Ca 0.00 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1wfv h SER 83 Cb 0.60 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1wfv h SER 83 CO 0.00 1.01 -0.31 1.23 -0.53 0.00 0.00 176.83 178.22 1wfv h GLY 84 N 3.04 0.66 0.00 5.77 0.00 -1.39 -3.50 103.07 107.64 1wfv h GLY 84 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1wfv h GLY 84 CO 0.13 0.66 0.00 0.61 0.00 0.00 0.00 176.54 177.93 1wfv n GLY 85 N 0.29 0.45 0.10 4.60 0.00 -1.25 -4.78 105.19 104.59 1wfv n GLY 85 Ca -0.05 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.85 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 0.62 -4.43 1.61 1.74 -1.26 -4.78 116.66 110.16 1wfv n ARG 86 Ca 0.00 0.18 -0.34 0.00 -0.77 0.00 0.00 57.85 56.92 1wfv n ARG 86 Cb 0.00 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 29.53 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 -3.04 3.61 0.01 5.56 0.52 -1.26 0.23 118.95 124.59 1wfv s ARG 87 Ca -0.03 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.72 1wfv s ARG 87 Cb 0.09 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 1wfv s ARG 87 CO 0.81 0.27 -0.20 0.54 0.02 0.00 0.00 175.30 176.74 1wfv s VAL 88 N 0.28 1.59 -0.08 3.52 0.11 -0.70 -4.84 120.40 120.29 1wfv s VAL 88 Ca -0.03 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1wfv s VAL 88 Cb -0.14 -1.35 0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1wfv s VAL 88 CO 0.03 0.33 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.50 1wfv s ARG 89 N -0.78 0.96 0.04 1.54 3.52 -1.26 -2.75 118.95 120.23 1wfv s ARG 89 Ca 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1wfv s ARG 89 Cb -0.08 -1.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 1wfv s ARG 89 CO 0.00 -0.26 -0.08 -0.48 -0.81 0.00 0.00 175.30 173.67 1wfv s LEU 90 N 1.75 2.26 -0.30 -0.88 2.34 -1.16 0.55 118.68 123.25 1wfv s LEU 90 Ca 0.03 -0.56 -0.21 0.00 0.06 0.00 0.00 54.13 53.45 1wfv s LEU 90 Cb -0.13 -0.17 -0.01 0.00 -0.56 0.00 0.00 46.19 45.33 1wfv s LEU 90 CO -0.06 -0.21 0.69 -0.22 -1.06 0.00 0.00 176.35 175.50 1wfv s LEU 91 N -1.61 4.12 0.06 1.48 0.20 -0.58 -0.32 118.68 122.03 1wfv s LEU 91 Ca -0.09 0.53 0.07 0.00 0.69 0.00 0.00 54.13 55.32 1wfv s LEU 91 Cb -0.10 -2.91 -0.03 0.00 -0.43 0.00 0.00 46.19 42.72 1wfv s LEU 91 CO 0.00 -0.52 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.14 1wfv s LEU 92 N 2.73 2.21 -0.11 -0.68 2.96 0.10 -1.45 118.68 124.44 1wfv s LEU 92 Ca 0.28 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1wfv s LEU 92 Cb -0.15 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 1wfv s LEU 92 CO 0.12 0.07 -0.21 -1.59 -1.32 0.00 0.00 176.35 173.42 1wfv s LYS 93 N -1.39 3.13 -0.14 1.98 -2.85 -1.18 -2.31 119.74 116.98 1wfv s LYS 93 Ca 0.04 -0.83 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1wfv s LYS 93 Cb -0.09 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.26 1wfv s LYS 93 CO 0.02 0.16 -0.04 0.50 0.10 0.00 0.00 175.35 176.09 1wfv s ARG 94 N 0.41 3.54 -1.27 1.78 6.06 -1.25 -4.06 118.95 124.16 1wfv s ARG 94 Ca -0.16 -0.53 -0.12 0.00 -2.50 0.00 0.00 55.73 52.43 1wfv s ARG 94 Cb -0.17 -2.86 0.15 0.00 0.06 0.00 0.00 34.95 32.13 1wfv s ARG 94 CO 0.07 0.30 1.73 0.41 -2.50 0.00 0.00 175.30 175.31 1wfv n GLY 95 N 3.35 4.07 0.09 8.12 0.00 -1.26 -4.55 105.19 115.00 1wfv n GLY 95 Ca -0.18 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 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 4.13 1.13 -4.07 2.61 5.66 -1.26 -5.01 114.28 117.47 1wfv n THR 96 Ca 0.40 -0.59 -0.22 0.00 -3.05 0.00 0.00 64.05 60.60 1wfv n THR 96 Cb 0.39 -0.83 -0.04 0.00 -1.55 0.00 0.00 70.33 68.31 1wfv n THR 96 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wfv s GLY 97 N -5.37 1.35 -0.24 1.09 0.00 -1.26 -5.12 107.32 97.77 1wfv s GLY 97 Ca -0.16 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 1wfv s GLY 97 CO 0.58 -1.40 1.22 -0.45 0.00 0.00 0.00 173.10 173.05 1wfv s SER 98 N -3.88 -0.18 0.00 1.64 0.15 -1.26 -5.11 113.70 105.06 1wfv s SER 98 Ca 0.33 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1wfv s SER 98 Cb -0.08 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1wfv s SER 98 CO 0.26 -0.15 0.44 0.61 1.20 0.00 0.00 173.24 175.60 1wfv n GLY 99 N 0.76 -1.43 3.73 9.45 0.00 -1.26 -4.78 105.19 111.67 1wfv n GLY 99 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.30 4.38 0.03 1.61 0.04 -1.26 -5.03 135.00 133.47 1wfv s PRO 100 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wfv s PRO 100 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1wfv s PRO 100 CO 0.00 -0.28 0.14 -1.12 0.04 0.00 0.00 177.00 175.77 1wfv s SER 101 N 0.51 5.97 -0.77 6.66 0.01 -1.26 -4.50 113.70 120.31 1wfv s SER 101 Ca 0.58 0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.99 1wfv s SER 101 Cb -0.36 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1wfv s SER 101 CO 0.36 0.22 0.66 -0.24 0.41 0.00 0.00 173.24 174.65 1wfv n SER 102 N 0.72 -3.59 0.00 2.44 2.88 -1.26 -5.27 113.62 109.54 1wfv n SER 102 Ca -0.09 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1wfv n SER 102 Cb 0.52 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42