#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 6.80 -0.30 1.61 0.01 -1.26 -4.96 113.70 115.61 1wfv s SER 2 Ca 0.00 1.64 -0.11 0.00 1.31 0.00 0.00 55.95 58.79 1wfv s SER 2 Cb 0.00 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.87 1wfv s SER 2 CO 0.00 -0.89 0.93 -0.44 0.41 0.00 0.00 173.24 173.25 1wfv s SER 3 N 2.51 -0.70 0.00 2.44 0.01 -1.26 -5.13 113.70 111.57 1wfv s SER 3 Ca 0.59 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1wfv s SER 3 Cb -0.22 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.65 1wfv s SER 3 CO 0.19 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1wfv n GLY 4 N 5.33 1.70 4.01 3.44 0.00 -1.26 -5.18 105.19 113.23 1wfv n GLY 4 Ca -0.06 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfv s SER 5 N 0.00 5.07 -0.28 1.61 1.04 -1.26 -5.14 113.70 114.73 1wfv s SER 5 Ca 0.00 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.34 1wfv s SER 5 Cb 0.00 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.48 1wfv s SER 5 CO 0.00 -1.26 0.96 -0.44 0.98 0.00 0.00 173.24 173.48 1wfv s SER 6 N -4.58 -0.54 0.00 7.02 0.01 -1.26 -5.17 113.70 109.18 1wfv s SER 6 Ca 0.57 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1wfv s SER 6 Cb -0.05 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1wfv s SER 6 CO 0.36 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1wfv n GLY 7 N 2.91 4.74 0.17 3.44 0.00 -1.26 -5.05 105.19 110.13 1wfv n GLY 7 Ca -0.15 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1wfv n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wfv h GLN 8 N 0.00 0.53 -6.18 1.61 7.50 -2.07 -3.44 115.11 113.07 1wfv h GLN 8 Ca 0.00 -0.34 -0.58 0.00 0.50 0.00 0.00 58.65 58.22 1wfv h GLN 8 Cb 0.00 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 1wfv h GLN 8 CO 0.00 0.95 -0.19 0.16 -1.50 0.00 0.00 178.83 178.25 1wfv s ASP 9 N -6.49 6.70 -0.08 1.46 -4.77 -1.26 -4.99 116.67 107.24 1wfv s ASP 9 Ca -0.13 0.89 0.05 0.00 -3.30 0.00 0.00 52.55 50.06 1wfv s ASP 9 Cb 0.06 -2.21 -0.08 0.00 -1.09 0.00 0.00 42.92 39.59 1wfv s ASP 9 CO 0.81 0.15 0.00 2.22 0.70 0.00 0.00 175.17 179.05 1wfv n PHE 10 N 0.89 0.00 -3.20 2.11 1.16 -1.26 -4.99 117.46 112.16 1wfv n PHE 10 Ca -0.07 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.53 1wfv n PHE 10 Cb 0.52 -0.36 -0.02 0.00 -1.61 0.00 0.00 39.48 38.01 1wfv n PHE 10 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1wfv s ASP 11 N -4.10 -1.23 -0.84 5.98 2.15 -1.26 -4.95 116.67 112.41 1wfv s ASP 11 Ca -0.05 0.86 -0.16 0.00 0.43 0.00 0.00 52.55 53.63 1wfv s ASP 11 Cb 0.02 2.08 0.18 0.00 -0.30 0.00 0.00 42.92 44.90 1wfv s ASP 11 CO 0.28 -0.26 0.90 -0.31 -0.17 0.00 0.00 175.17 175.61 1wfv s TYR 12 N 2.83 3.45 0.19 -5.34 2.02 -1.26 -4.19 117.35 115.06 1wfv s TYR 12 Ca 0.19 -1.67 0.09 0.00 -0.37 0.00 0.00 57.07 55.30 1wfv s TYR 12 Cb -0.15 -4.01 -0.04 0.00 -0.40 0.00 0.00 41.96 37.36 1wfv s TYR 12 CO -0.20 -1.20 -0.09 -0.59 -1.57 0.00 0.00 175.55 171.89 1wfv s PHE 13 N 1.34 2.62 0.18 2.71 -0.12 -1.13 -5.01 117.98 118.56 1wfv s PHE 13 Ca 0.23 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1wfv s PHE 13 Cb -0.09 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 1wfv s PHE 13 CO -0.08 0.53 0.33 0.95 -0.05 0.00 0.00 175.22 176.90 1wfv s THR 14 N -1.77 5.28 0.01 -4.49 -4.23 -1.26 -0.98 115.64 108.19 1wfv s THR 14 Ca 0.25 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1wfv s THR 14 Cb -0.08 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1wfv s THR 14 CO 0.15 -0.14 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.27 1wfv s VAL 15 N -1.81 3.20 -0.14 2.29 1.01 0.13 -4.85 120.40 120.23 1wfv s VAL 15 Ca 0.36 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1wfv s VAL 15 Cb -0.11 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1wfv s VAL 15 CO 0.29 0.41 0.04 -0.62 0.00 0.00 0.00 175.10 175.21 1wfv s ASP 16 N -1.30 2.28 0.31 3.32 2.15 -1.26 -2.99 116.67 119.18 1wfv s ASP 16 Ca 0.15 -0.50 -0.06 0.00 0.43 0.00 0.00 52.55 52.58 1wfv s ASP 16 Cb -0.11 -0.46 -0.00 0.00 -0.30 0.00 0.00 42.92 42.05 1wfv s ASP 16 CO 0.05 -0.27 0.46 -0.04 -0.17 0.00 0.00 175.17 175.20 1wfv s MET 17 N 1.96 1.77 0.46 4.34 -1.94 -1.08 -5.00 119.30 119.82 1wfv s MET 17 Ca 0.02 -1.60 0.04 0.00 -1.71 0.00 0.00 55.69 52.43 1wfv s MET 17 Cb -0.15 0.44 -0.04 0.00 2.01 0.00 0.00 34.83 37.09 1wfv s MET 17 CO -0.07 -0.73 0.01 -1.21 -0.01 0.00 0.00 175.02 173.01 1wfv s GLU 18 N -3.36 2.08 0.34 2.03 2.02 -1.26 -1.85 118.70 118.70 1wfv s GLU 18 Ca 0.28 -2.27 -0.12 0.00 0.02 0.00 0.00 54.97 52.88 1wfv s GLU 18 Cb -0.00 -1.52 -0.08 0.00 0.10 0.00 0.00 34.13 32.63 1wfv s GLU 18 CO 0.16 -0.24 0.72 0.21 0.02 0.00 0.00 175.26 176.13 1wfv s LYS 19 N -3.81 3.89 0.00 1.61 2.20 0.65 -4.57 119.74 119.72 1wfv s LYS 19 Ca 0.19 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1wfv s LYS 19 Cb 0.05 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1wfv s LYS 19 CO 0.10 0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1wfv n GLY 20 N -0.67 0.88 0.08 5.54 0.00 0.15 -4.92 105.19 106.25 1wfv n GLY 20 Ca 0.03 0.00 -0.10 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 n ALA 21 N -3.00 0.57 -1.45 4.61 0.00 -1.26 -4.56 120.51 115.42 1wfv n ALA 21 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 1wfv n ALA 21 Cb 0.00 -0.14 0.20 0.00 0.00 0.00 0.00 19.45 19.52 1wfv n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wfv n LYS 22 N -4.55 1.81 0.00 0.00 4.81 -1.26 -5.07 118.16 113.90 1wfv n LYS 22 Ca -0.15 -3.17 0.00 0.00 -0.87 0.00 0.00 58.31 54.12 1wfv n LYS 22 Cb 0.40 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 -1.10 0.68 1.56 3.14 0.00 -1.26 -4.82 105.19 103.40 1wfv n GLY 23 Ca 0.28 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 5.31 0.31 -3.56 1.61 3.01 -1.26 0.30 117.46 123.18 1wfv n PHE 24 Ca 0.00 -1.17 -0.29 0.00 1.01 0.00 0.00 57.45 57.00 1wfv n PHE 24 Cb 0.00 -0.58 -0.05 0.00 -0.01 0.00 0.00 39.48 38.83 1wfv n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wfv n GLY 25 N 1.23 -0.27 3.37 1.37 0.00 -1.26 -3.82 105.19 105.81 1wfv n GLY 25 Ca 0.06 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.54 -0.51 0.37 1.61 -0.12 -1.26 0.03 117.98 115.55 1wfv s PHE 26 Ca 0.55 1.25 0.08 0.00 -0.05 0.00 0.00 56.93 58.77 1wfv s PHE 26 Cb -0.32 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 1wfv s PHE 26 CO 0.69 -0.25 0.03 0.45 -0.05 0.00 0.00 175.22 176.09 1wfv s SER 27 N 0.22 4.13 0.32 1.98 0.15 -0.56 -5.01 113.70 114.93 1wfv s SER 27 Ca -0.00 -1.09 0.04 0.00 0.70 0.00 0.00 55.95 55.59 1wfv s SER 27 Cb -0.03 -0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 63.74 1wfv s SER 27 CO 0.01 -0.33 0.06 0.27 1.20 0.00 0.00 173.24 174.45 1wfv s ILE 28 N -2.58 1.11 0.23 6.45 -4.36 -1.26 -1.89 121.20 118.91 1wfv s ILE 28 Ca 0.36 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.63 1wfv s ILE 28 Cb 0.03 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 1wfv s ILE 28 CO 0.19 0.00 0.44 0.00 0.24 0.00 0.00 174.94 175.81 1wfv s ARG 29 N -3.90 1.48 2.04 0.37 1.70 0.39 -4.23 118.95 116.80 1wfv s ARG 29 Ca 0.36 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 1wfv s ARG 29 Cb 0.08 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1wfv s ARG 29 CO 0.15 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1wfv n GLY 30 N -0.36 -0.97 0.00 3.88 0.00 -1.26 -1.34 105.19 105.14 1wfv n GLY 30 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 3.16 0.50 -0.02 0.00 0.51 -3.59 105.19 105.76 1wfv n GLY 31 Ca 0.00 -1.93 0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 0.10 -0.93 1.61 2.47 -0.82 0.76 114.38 117.57 1wfv h ARG 32 Ca 0.00 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.83 1wfv h ARG 32 Cb 0.00 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.21 1wfv h ARG 32 CO 0.00 0.07 0.56 1.49 0.56 0.00 0.00 179.97 182.65 1wfv h GLU 33 N 0.10 0.86 -0.41 0.04 4.57 -1.87 -0.58 114.58 117.29 1wfv h GLU 33 Ca 0.78 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.91 1wfv h GLU 33 Cb 2.58 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.98 1wfv h GLU 33 CO -0.31 0.57 0.00 0.66 -1.18 0.00 0.00 179.01 178.75 1wfv n TYR 34 N -4.69 1.45 -3.91 0.92 4.01 0.26 -4.96 117.16 110.24 1wfv n TYR 34 Ca 0.17 -0.80 -0.25 0.00 -0.16 0.00 0.00 57.90 56.86 1wfv n TYR 34 Cb 0.35 -0.40 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.02 -3.48 -3.59 -0.72 4.76 -0.23 -4.84 118.16 110.08 1wfv n LYS 35 Ca 0.24 0.44 -0.11 0.00 -2.87 0.00 0.00 58.31 56.01 1wfv n LYS 35 Cb 1.02 -4.61 -0.04 0.00 -1.84 0.00 0.00 35.03 29.56 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 -6.45 1.10 1.11 1.97 0.23 -1.03 -4.98 119.30 111.25 1wfv s MET 36 Ca 0.01 -0.65 -0.14 0.00 -1.03 0.00 0.00 55.69 53.89 1wfv s MET 36 Cb -0.01 0.49 0.25 0.00 -1.53 0.00 0.00 34.83 34.03 1wfv s MET 36 CO 0.88 -0.44 1.06 -0.51 -2.03 0.00 0.00 175.02 173.98 1wfv s ASP 37 N -2.76 1.60 -0.30 -1.18 1.01 -1.26 -0.36 116.67 113.42 1wfv s ASP 37 Ca 0.02 1.18 -0.15 0.00 0.71 0.00 0.00 52.55 54.31 1wfv s ASP 37 Cb 0.01 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 1wfv s ASP 37 CO -0.12 -3.77 0.39 -0.76 0.21 0.00 0.00 175.17 171.12 1wfv s LEU 38 N -6.86 4.20 0.36 1.23 1.43 -1.25 -2.74 118.68 115.05 1wfv s LEU 38 Ca 0.67 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1wfv s LEU 38 Cb -0.19 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 1wfv s LEU 38 CO 0.60 -0.27 -0.03 -0.31 0.23 0.00 0.00 176.35 176.57 1wfv s TYR 39 N 2.09 2.48 -0.44 0.29 1.51 -0.45 0.54 117.35 123.37 1wfv s TYR 39 Ca 0.14 -0.51 -0.28 0.00 -1.01 0.00 0.00 57.07 55.41 1wfv s TYR 39 Cb -0.16 -1.51 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1wfv s TYR 39 CO 0.11 0.51 1.07 0.08 -1.11 0.00 0.00 175.55 176.21 1wfv s VAL 40 N -2.59 4.33 0.05 0.71 1.01 -1.23 0.15 120.40 122.83 1wfv s VAL 40 Ca 0.34 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 1wfv s VAL 40 Cb 0.03 -4.52 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 1wfv s VAL 40 CO 0.18 -0.85 1.50 0.25 0.00 0.00 0.00 175.10 176.17 1wfv h LEU 41 N 10.83 -0.60 -7.22 3.92 7.12 -1.55 -2.92 115.31 124.88 1wfv h LEU 41 Ca -0.23 -0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.68 1wfv h LEU 41 Cb 1.06 0.16 -0.18 0.00 -0.53 0.00 0.00 40.66 41.17 1wfv h LEU 41 CO 1.08 -0.36 0.00 -0.60 -0.13 0.00 0.00 178.44 178.44 1wfv s ARG 42 N -5.62 0.95 -0.06 1.25 3.00 -1.26 -4.80 118.95 112.42 1wfv s ARG 42 Ca -0.16 -0.08 0.01 0.00 -1.00 0.00 0.00 55.73 54.49 1wfv s ARG 42 Cb 0.03 0.44 -0.03 0.00 0.00 0.00 0.00 34.95 35.39 1wfv s ARG 42 CO 0.59 -0.31 -0.06 -0.51 0.00 0.00 0.00 175.30 175.00 1wfv s LEU 43 N -1.59 3.20 -0.22 -0.88 1.43 -1.26 -1.50 118.68 117.86 1wfv s LEU 43 Ca -0.09 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 1wfv s LEU 43 Cb -0.01 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1wfv s LEU 43 CO 0.03 0.35 1.14 0.00 0.23 0.00 0.00 176.35 178.10 1wfv s ALA 44 N -0.84 3.64 0.46 4.21 0.00 0.10 -4.90 121.76 124.44 1wfv s ALA 44 Ca 0.13 0.25 0.32 0.00 0.00 0.00 0.00 51.96 52.65 1wfv s ALA 44 Cb -0.11 -3.60 1.70 0.00 0.00 0.00 0.00 23.12 21.11 1wfv s ALA 44 CO 0.02 -1.18 2.16 1.05 0.00 0.00 0.00 175.76 177.80 1wfv h GLU 45 N 7.90 0.00 -0.14 0.00 4.11 -1.98 -1.95 114.58 122.51 1wfv h GLU 45 Ca -0.22 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.16 1wfv h GLU 45 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1wfv h GLU 45 CO 0.99 0.06 -0.17 -3.47 0.07 0.00 0.00 179.01 176.49 1wfv n ASP 46 N -3.52 2.45 -4.88 3.06 2.03 -1.26 -4.94 116.55 109.49 1wfv n ASP 46 Ca -0.02 -3.51 -0.21 0.00 0.52 0.00 0.00 54.79 51.57 1wfv n ASP 46 Cb 0.18 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.73 2.14 0.37 0.27 0.00 -0.73 -5.03 107.32 101.61 1wfv s GLY 47 Ca 0.39 -1.85 0.16 0.00 0.00 0.00 0.00 44.72 43.41 1wfv s GLY 47 CO 0.00 -1.71 1.78 -0.56 0.00 0.00 0.00 173.10 172.61 1wfv h PRO 48 N 0.98 0.00 0.11 2.90 0.13 -1.86 -3.24 132.00 131.03 1wfv h PRO 48 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.57 0.40 -0.06 0.00 -0.23 0.00 0.00 178.00 178.68 1wfv h ALA 49 N 1.60 -0.85 -0.79 -0.56 0.00 -1.80 -1.15 119.26 115.71 1wfv h ALA 49 Ca -0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1wfv h ALA 49 Cb 0.80 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1wfv h ALA 49 CO 0.05 -0.84 0.96 0.97 0.00 0.00 0.00 179.25 180.39 1wfv h ILE 50 N -0.18 0.11 0.09 0.00 2.10 -1.71 1.59 117.51 119.51 1wfv h ILE 50 Ca -0.02 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.65 1wfv h ILE 50 Cb 0.12 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.06 1wfv h ILE 50 CO 0.03 0.00 -1.31 0.03 -1.08 0.00 0.00 178.15 175.82 1wfv h ARG 51 N 0.00 0.19 0.52 2.19 3.08 -1.54 -3.35 114.38 115.48 1wfv h ARG 51 Ca 0.38 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1wfv h ARG 51 Cb 2.29 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 32.45 1wfv h ARG 51 CO -0.00 1.10 -0.31 -0.97 -1.07 0.00 0.00 179.97 178.71 1wfv h ASN 52 N 0.05 -0.76 0.00 7.04 -1.24 0.36 -3.47 115.58 117.56 1wfv h ASN 52 Ca -0.15 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1wfv h ASN 52 Cb 1.94 0.22 0.00 0.00 0.73 0.00 0.00 38.32 41.21 1wfv h ASN 52 CO 0.17 -0.49 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 1wfv n GLY 53 N -1.45 2.52 0.53 1.57 0.00 -1.11 -4.80 105.19 102.46 1wfv n GLY 53 Ca -0.12 -0.54 0.41 0.00 0.00 0.00 0.00 46.02 45.76 1wfv n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 54 N 0.00 -0.01 -4.71 1.61 5.12 -1.26 -4.04 116.66 113.38 1wfv n ARG 54 Ca 0.00 0.88 -0.23 0.00 -1.93 0.00 0.00 57.85 56.57 1wfv n ARG 54 Cb 0.00 -1.98 -0.15 0.00 -1.16 0.00 0.00 32.46 29.17 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wfv s MET 55 N -4.55 1.24 0.31 5.56 0.23 -1.26 -4.93 119.30 115.91 1wfv s MET 55 Ca -0.04 -0.55 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 1wfv s MET 55 Cb 0.22 -1.20 -0.05 0.00 -1.53 0.00 0.00 34.83 32.27 1wfv s MET 55 CO 0.70 0.33 0.08 1.03 -2.03 0.00 0.00 175.02 175.13 1wfv s ARG 56 N -0.38 1.61 0.16 3.16 3.00 -1.26 -4.74 118.95 120.50 1wfv s ARG 56 Ca 0.06 -1.90 -0.26 0.00 0.00 0.00 0.00 55.73 53.62 1wfv s ARG 56 Cb -0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 34.95 34.21 1wfv s ARG 56 CO -0.01 -0.27 0.82 0.54 0.00 0.00 0.00 175.30 176.38 1wfv s VAL 57 N -3.45 4.37 0.00 3.52 0.11 -1.26 -3.77 120.40 119.92 1wfv s VAL 57 Ca 0.35 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 61.20 1wfv s VAL 57 Cb 0.08 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.74 1wfv s VAL 57 CO 0.15 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 1wfv n GLY 58 N 1.72 0.28 1.83 6.54 0.00 -1.10 -5.01 105.19 109.46 1wfv n GLY 58 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.30 -4.02 1.61 8.00 -1.25 -4.85 116.55 115.74 1wfv n ASP 59 Ca 0.00 -1.14 -0.31 0.00 0.71 0.00 0.00 54.79 54.05 1wfv n ASP 59 Cb 0.00 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 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 -4.37 2.19 -0.19 -1.24 -0.44 -1.26 -3.53 119.66 110.83 1wfv s GLN 60 Ca 0.36 -0.88 -0.26 0.00 -2.50 0.00 0.00 55.36 52.08 1wfv s GLN 60 Cb -0.01 -2.47 -0.01 0.00 -1.64 0.00 0.00 33.01 28.88 1wfv s GLN 60 CO 0.26 -0.40 0.85 0.42 0.50 0.00 0.00 175.29 176.92 1wfv s ILE 61 N 1.35 4.85 -0.19 -2.34 1.01 0.19 -3.60 121.20 122.47 1wfv s ILE 61 Ca -0.01 1.66 0.14 0.00 0.00 0.00 0.00 60.65 62.45 1wfv s ILE 61 Cb -0.16 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.92 1wfv s ILE 61 CO -0.09 -0.02 0.11 2.30 0.00 0.00 0.00 174.94 177.25 1wfv n ILE 62 N 4.90 1.44 -4.15 2.92 -0.00 -0.63 -3.76 119.36 120.09 1wfv n ILE 62 Ca 0.05 -0.80 -0.17 0.00 -0.00 0.00 0.00 62.75 61.83 1wfv n ILE 62 Cb 0.48 -0.72 -0.12 0.00 -0.00 0.00 0.00 39.64 39.29 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 -2.51 0.77 -0.11 6.28 2.12 -1.19 -2.74 118.70 121.33 1wfv s GLU 63 Ca -0.14 -0.94 -0.03 0.00 0.36 0.00 0.00 54.97 54.22 1wfv s GLU 63 Cb 0.07 -0.71 0.05 0.00 0.26 0.00 0.00 34.13 33.79 1wfv s GLU 63 CO 0.79 0.15 0.07 0.42 -0.54 0.00 0.00 175.26 176.15 1wfv s ILE 64 N -1.39 -0.01 -1.48 -3.70 1.01 -1.10 -1.53 121.20 113.01 1wfv s ILE 64 Ca -0.03 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1wfv s ILE 64 Cb -0.09 -0.43 0.06 0.00 0.01 0.00 0.00 42.46 42.01 1wfv s ILE 64 CO 0.02 -0.04 0.90 0.59 0.00 0.00 0.00 174.94 176.41 1wfv n ASN 65 N 5.26 -5.12 -2.62 3.58 3.02 0.92 -1.47 115.26 118.83 1wfv n ASN 65 Ca -0.06 -0.62 -0.16 0.00 -0.03 0.00 0.00 54.58 53.71 1wfv n ASN 65 Cb 0.49 -4.10 0.05 0.00 -0.61 0.00 0.00 39.78 35.62 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 -1.65 -0.08 2.73 7.41 0.00 -1.25 -5.01 105.19 107.34 1wfv n GLY 66 Ca 0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.90 0.48 -0.35 1.61 2.02 -0.54 -5.09 118.70 110.93 1wfv s GLU 67 Ca 0.40 -0.07 -0.38 0.00 0.02 0.00 0.00 54.97 54.94 1wfv s GLU 67 Cb -0.18 -1.45 -0.14 0.00 0.10 0.00 0.00 34.13 32.47 1wfv s GLU 67 CO 0.50 -0.48 2.05 0.45 0.02 0.00 0.00 175.26 177.80 1wfv n SER 68 N 5.15 2.03 -2.11 -0.19 2.88 -1.26 -2.71 113.62 117.41 1wfv n SER 68 Ca -0.07 0.65 -0.17 0.00 -1.33 0.00 0.00 58.87 57.95 1wfv n SER 68 Cb 0.49 -1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 62.70 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wfv n THR 69 N 6.33 2.96 -0.10 2.46 -2.24 -1.11 -4.14 114.28 118.45 1wfv n THR 69 Ca 0.39 -1.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.03 1wfv n THR 69 Cb 0.16 -1.67 -0.13 0.00 -2.10 0.00 0.00 70.33 66.59 1wfv n THR 69 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wfv n ARG 70 N 1.40 0.68 -2.31 -0.78 3.00 -1.26 -4.55 116.66 112.83 1wfv n ARG 70 Ca 0.38 0.15 -0.24 0.00 -0.00 0.00 0.00 57.85 58.14 1wfv n ARG 70 Cb 0.67 -1.57 0.01 0.00 0.00 0.00 0.00 32.46 31.58 1wfv n ARG 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wfv n ASP 71 N -3.20 4.54 -4.34 6.15 -0.08 -1.26 -4.85 116.55 113.52 1wfv n ASP 71 Ca -0.40 -3.63 -0.26 0.00 -1.51 0.00 0.00 54.79 49.00 1wfv n ASP 71 Cb 1.03 -0.41 -0.13 0.00 2.34 0.00 0.00 41.12 43.95 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1wfv s MET 72 N -3.56 1.26 0.04 -0.67 -1.94 -1.26 -5.01 119.30 108.17 1wfv s MET 72 Ca 0.48 -1.27 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1wfv s MET 72 Cb 0.40 -1.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 1wfv s MET 72 CO -0.08 0.37 0.06 0.95 -0.01 0.00 0.00 175.02 176.31 1wfv s THR 73 N -1.21 4.49 0.27 2.05 -4.23 -1.26 -0.47 115.64 115.28 1wfv s THR 73 Ca 0.11 -0.63 0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1wfv s THR 73 Cb -0.10 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1wfv s THR 73 CO 0.05 0.24 1.20 1.57 -0.54 0.00 0.00 174.62 177.14 1wfv n HIS 74 N 0.87 0.77 -0.02 3.99 -0.00 -1.24 0.17 115.22 119.78 1wfv n HIS 74 Ca -0.11 0.90 -0.10 0.00 0.46 0.00 0.00 57.72 58.87 1wfv n HIS 74 Cb 0.52 -1.25 -0.04 0.00 -0.12 0.00 0.00 29.99 29.10 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 1.52 0.11 0.34 1.57 0.00 -1.94 -2.24 119.26 118.61 1wfv h ALA 75 Ca 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 1wfv h ALA 75 Cb 1.49 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wfv h ALA 75 CO -0.62 -0.46 -0.35 -0.09 0.00 0.00 0.00 179.25 177.72 1wfv h ARG 76 N 0.03 -0.67 -1.14 0.00 9.65 0.14 -1.92 114.38 120.47 1wfv h ARG 76 Ca 0.06 0.05 0.37 0.00 -1.10 0.00 0.00 59.98 59.36 1wfv h ARG 76 Cb 0.09 0.15 -0.13 0.00 -1.39 0.00 0.00 29.97 28.68 1wfv h ARG 76 CO -0.12 -0.44 0.70 0.00 2.80 0.00 0.00 179.97 182.91 1wfv h ALA 77 N -1.15 2.35 -0.22 2.80 0.00 -1.45 1.30 119.26 122.89 1wfv h ALA 77 Ca -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1wfv h ALA 77 Cb 0.60 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wfv h ALA 77 CO -0.05 -0.95 -0.20 0.82 0.00 0.00 0.00 179.25 178.87 1wfv h ILE 78 N 0.21 1.24 0.00 0.00 1.08 -0.74 -2.58 117.51 116.71 1wfv h ILE 78 Ca 0.76 -1.09 -0.15 0.00 -0.39 0.00 0.00 64.86 63.99 1wfv h ILE 78 Cb 2.07 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 1wfv h ILE 78 CO -0.49 0.34 -0.80 1.05 -0.69 0.00 0.00 178.15 177.57 1wfv h GLU 79 N 0.35 0.00 -0.41 2.37 4.11 0.22 -3.32 114.58 117.90 1wfv h GLU 79 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.40 1wfv h GLU 79 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1wfv h GLU 79 CO 0.04 0.58 -0.09 -0.07 0.07 0.00 0.00 179.01 179.54 1wfv h LEU 80 N 0.00 0.80 -1.99 3.06 3.38 -0.53 0.60 115.31 120.63 1wfv h LEU 80 Ca -0.04 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1wfv h LEU 80 Cb 1.53 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1wfv h LEU 80 CO 0.08 0.97 0.02 0.40 0.09 0.00 0.00 178.44 179.99 1wfv h ILE 81 N 0.61 1.00 0.00 1.22 2.04 -1.56 -1.53 117.51 119.29 1wfv h ILE 81 Ca 0.11 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1wfv h ILE 81 Cb 0.62 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1wfv h ILE 81 CO 0.04 0.00 -1.60 2.29 0.00 0.00 0.00 178.15 178.88 1wfv n LYS 82 N -4.53 0.52 0.03 2.37 2.85 -1.06 -4.20 118.16 114.13 1wfv n LYS 82 Ca -0.03 -0.10 -0.11 0.00 -1.05 0.00 0.00 58.31 57.02 1wfv n LYS 82 Cb 0.10 -1.57 0.01 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 0.58 -0.41 -5.58 0.87 0.12 -3.24 113.55 105.88 1wfv h SER 83 Ca 0.00 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.08 1wfv h SER 83 Cb 0.90 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1wfv h SER 83 CO 0.00 1.12 -0.14 1.23 -0.53 0.00 0.00 176.83 178.51 1wfv h GLY 84 N 1.12 0.90 0.00 5.77 0.00 -1.53 -3.50 103.07 105.84 1wfv h GLY 84 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1wfv h GLY 84 CO 0.13 0.70 0.00 0.61 0.00 0.00 0.00 176.54 177.98 1wfv n GLY 85 N -0.14 0.33 0.11 4.60 0.00 -1.23 -4.74 105.19 104.12 1wfv n GLY 85 Ca -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -5.10 1.61 3.08 -1.91 -3.44 114.38 108.61 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 -0.75 1.03 -1.07 0.00 0.00 179.97 179.18 1wfv s ARG 87 N -3.28 3.33 0.12 0.04 0.52 -1.26 0.24 118.95 118.65 1wfv s ARG 87 Ca 0.03 -0.67 0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1wfv s ARG 87 Cb 0.10 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1wfv s ARG 87 CO 0.75 -0.07 -0.26 0.54 0.02 0.00 0.00 175.30 176.28 1wfv s VAL 88 N 1.10 2.32 -0.12 3.52 0.11 -0.77 -4.84 120.40 121.72 1wfv s VAL 88 Ca 0.01 -1.68 -0.04 0.00 -2.93 0.00 0.00 61.98 57.34 1wfv s VAL 88 Cb -0.15 -2.01 0.05 0.00 -1.53 0.00 0.00 36.38 32.74 1wfv s VAL 88 CO -0.02 0.13 0.11 -0.60 -3.33 0.00 0.00 175.10 171.39 1wfv s ARG 89 N -1.96 0.04 0.07 1.54 3.52 -1.26 -2.62 118.95 118.27 1wfv s ARG 89 Ca 0.14 0.20 0.06 0.00 -0.13 0.00 0.00 55.73 56.00 1wfv s ARG 89 Cb -0.10 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 1wfv s ARG 89 CO 0.06 -0.51 -0.16 -0.48 -0.81 0.00 0.00 175.30 173.40 1wfv s LEU 90 N 2.20 2.25 -0.36 -0.88 2.34 -1.16 -0.05 118.68 123.02 1wfv s LEU 90 Ca 0.04 -0.59 -0.23 0.00 0.06 0.00 0.00 54.13 53.41 1wfv s LEU 90 Cb -0.14 -0.62 0.01 0.00 -0.56 0.00 0.00 46.19 44.88 1wfv s LEU 90 CO -0.07 -0.02 0.76 -0.22 -1.06 0.00 0.00 176.35 175.74 1wfv s LEU 91 N -1.62 4.14 0.20 1.48 0.20 -0.58 0.21 118.68 122.72 1wfv s LEU 91 Ca 0.01 0.34 0.10 0.00 0.69 0.00 0.00 54.13 55.27 1wfv s LEU 91 Cb -0.09 -3.00 -0.04 0.00 -0.43 0.00 0.00 46.19 42.62 1wfv s LEU 91 CO 0.02 -0.71 -0.19 -0.22 -0.29 0.00 0.00 176.35 174.97 1wfv s LEU 92 N 3.04 2.49 -0.07 -0.68 2.96 -0.15 -1.61 118.68 124.67 1wfv s LEU 92 Ca 0.30 -0.93 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1wfv s LEU 92 Cb -0.13 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.66 1wfv s LEU 92 CO 0.16 -0.02 -0.11 -1.59 -1.32 0.00 0.00 176.35 173.48 1wfv s LYS 93 N -3.10 1.56 -0.10 1.98 -2.85 -1.24 -2.86 119.74 113.14 1wfv s LYS 93 Ca 0.21 -0.35 -0.04 0.00 -1.00 0.00 0.00 55.97 54.78 1wfv s LYS 93 Cb -0.05 -1.34 -0.04 0.00 -2.06 0.00 0.00 37.83 34.34 1wfv s LYS 93 CO 0.09 -0.02 0.09 0.50 0.10 0.00 0.00 175.35 176.11 1wfv s ARG 94 N 0.80 3.25 -1.32 1.78 3.00 -1.26 -4.09 118.95 121.11 1wfv s ARG 94 Ca -0.12 -0.26 -0.09 0.00 -1.00 0.00 0.00 55.73 54.25 1wfv s ARG 94 Cb -0.15 -3.02 0.14 0.00 0.00 0.00 0.00 34.95 31.92 1wfv s ARG 94 CO 0.02 0.74 2.02 0.41 0.00 0.00 0.00 175.30 178.49 1wfv n GLY 95 N 1.94 4.78 0.03 8.12 0.00 -1.26 -4.39 105.19 114.41 1wfv n GLY 95 Ca -0.19 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.77 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 3.34 0.40 0.00 2.61 5.66 -1.26 -4.98 114.28 120.04 1wfv n THR 96 Ca 0.45 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1wfv n THR 96 Cb 0.35 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 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 3.17 -2.77 3.38 1.09 0.00 -1.26 -4.59 105.19 104.21 1wfv n GLY 97 Ca -0.12 -1.04 -0.50 0.00 0.00 0.00 0.00 46.02 44.36 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfv n SER 98 N 0.00 0.53 -3.05 1.61 3.41 -1.26 -4.81 113.62 110.04 1wfv n SER 98 Ca 0.00 0.41 -0.19 0.00 -0.26 0.00 0.00 58.87 58.83 1wfv n SER 98 Cb 0.00 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.00 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 99 N 6.97 1.94 0.00 5.00 0.00 -1.26 -4.95 105.19 112.89 1wfv n GLY 99 Ca 0.60 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 1.52 0.21 -0.30 1.61 -0.04 -1.26 -2.95 135.00 133.79 1wfv n PRO 100 Ca 0.17 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1wfv n PRO 100 Cb 0.56 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 1wfv n PRO 100 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfv n SER 101 N -1.29 2.73 -0.11 3.54 7.64 -1.26 -3.67 113.62 121.20 1wfv n SER 101 Ca 0.07 -2.35 -0.14 0.00 1.01 0.00 0.00 58.87 57.46 1wfv n SER 101 Cb 0.12 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 62.62 1wfv n SER 101 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfv n SER 102 N 0.11 1.32 0.00 6.43 7.64 -1.15 -5.30 113.62 122.67 1wfv n SER 102 Ca 0.12 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wfv n SER 102 Cb 0.66 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64