#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv n SER 2 N 0.00 7.61 -4.55 1.61 7.64 -1.26 -4.96 113.62 119.72 1wfv n SER 2 Ca 0.00 -3.80 -0.26 0.00 1.01 0.00 0.00 58.87 55.82 1wfv n SER 2 Cb 0.00 -0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1wfv n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfv s SER 3 N -1.78 3.75 0.00 6.43 0.01 -1.26 -5.05 113.70 115.80 1wfv s SER 3 Ca 0.63 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1wfv s SER 3 Cb 0.50 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wfv s SER 3 CO -0.07 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1wfv n GLY 4 N -0.81 0.08 4.01 3.44 0.00 -1.26 -5.02 105.19 105.63 1wfv n GLY 4 Ca -0.05 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfv n SER 5 N -1.55 -2.49 -2.82 1.61 2.88 -1.26 -1.23 113.62 108.77 1wfv n SER 5 Ca 0.00 -0.93 -0.14 0.00 -1.33 0.00 0.00 58.87 56.47 1wfv n SER 5 Cb 0.00 -3.25 0.07 0.00 -0.75 0.00 0.00 64.21 60.27 1wfv n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfv n SER 6 N -2.85 -2.81 -3.66 -3.46 2.88 -1.26 -5.03 113.62 97.43 1wfv n SER 6 Ca -0.10 -0.45 -0.07 0.00 -1.33 0.00 0.00 58.87 56.93 1wfv n SER 6 Cb 0.58 -3.94 -0.08 0.00 -0.75 0.00 0.00 64.21 60.02 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 -3.83 -0.53 -0.28 0.46 0.00 -0.36 -5.13 107.32 97.65 1wfv s GLY 7 Ca 0.11 2.00 0.02 0.00 0.00 0.00 0.00 44.72 46.84 1wfv s GLY 7 CO 0.55 2.40 -0.01 1.20 0.00 0.00 0.00 173.10 177.24 1wfv s GLN 8 N 2.11 1.58 0.70 2.90 -0.21 -1.26 -4.67 119.66 120.81 1wfv s GLN 8 Ca -0.07 -1.37 -0.07 0.00 0.02 0.00 0.00 55.36 53.88 1wfv s GLN 8 Cb -0.09 -2.77 0.06 0.00 1.00 0.00 0.00 33.01 31.21 1wfv s GLN 8 CO -0.16 -0.76 1.01 0.16 -2.12 0.00 0.00 175.29 173.42 1wfv s ASP 9 N 1.20 4.82 0.22 5.90 1.47 -1.26 -5.05 116.67 123.98 1wfv s ASP 9 Ca 0.01 0.45 0.01 0.00 1.18 0.00 0.00 52.55 54.21 1wfv s ASP 9 Cb -0.19 -1.11 -0.00 0.00 -0.34 0.00 0.00 42.92 41.28 1wfv s ASP 9 CO -0.09 -1.59 0.05 0.49 0.68 0.00 0.00 175.17 174.71 1wfv n PHE 10 N -2.91 0.25 -1.43 2.11 3.72 -1.26 -5.03 117.46 112.90 1wfv n PHE 10 Ca 0.08 -1.29 -0.46 0.00 -0.05 0.00 0.00 57.45 55.73 1wfv n PHE 10 Cb 0.60 -0.06 -0.13 0.00 -0.94 0.00 0.00 39.48 38.96 1wfv n PHE 10 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wfv n ASP 11 N -1.56 0.71 -4.56 4.37 2.03 -1.26 -4.80 116.55 111.48 1wfv n ASP 11 Ca -0.06 0.28 -0.41 0.00 0.52 0.00 0.00 54.79 55.12 1wfv n ASP 11 Cb 0.31 -0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 39.69 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 8.33 2.46 0.20 -0.67 2.02 -1.26 -4.39 117.35 124.03 1wfv s TYR 12 Ca 1.27 -0.63 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 1wfv s TYR 12 Cb -1.21 -4.68 -0.04 0.00 -0.40 0.00 0.00 41.96 35.64 1wfv s TYR 12 CO 0.52 -1.97 0.11 -0.59 -1.57 0.00 0.00 175.55 172.04 1wfv s PHE 13 N 5.22 3.02 0.22 2.71 -0.12 -1.21 -5.03 117.98 122.81 1wfv s PHE 13 Ca 0.44 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.27 1wfv s PHE 13 Cb -0.02 -1.42 -0.03 0.00 -0.63 0.00 0.00 43.02 40.92 1wfv s PHE 13 CO -0.04 0.53 0.32 0.95 -0.05 0.00 0.00 175.22 176.93 1wfv s THR 14 N -1.91 5.12 0.00 -4.49 -4.23 -1.26 -2.01 115.64 106.86 1wfv s THR 14 Ca 0.31 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1wfv s THR 14 Cb -0.09 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1wfv s THR 14 CO 0.22 -0.29 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.19 1wfv s VAL 15 N -1.96 3.13 -0.14 2.29 1.01 0.26 -4.87 120.40 120.13 1wfv s VAL 15 Ca 0.34 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wfv s VAL 15 Cb -0.09 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.03 1wfv s VAL 15 CO 0.28 0.43 0.03 -0.62 0.00 0.00 0.00 175.10 175.22 1wfv s ASP 16 N -1.23 2.25 0.28 3.32 -1.08 -1.26 -3.16 116.67 115.79 1wfv s ASP 16 Ca 0.14 -0.47 -0.08 0.00 -0.52 0.00 0.00 52.55 51.63 1wfv s ASP 16 Cb -0.11 -0.48 -0.00 0.00 -1.46 0.00 0.00 42.92 40.87 1wfv s ASP 16 CO 0.05 -0.26 0.45 -0.04 0.52 0.00 0.00 175.17 175.89 1wfv s MET 17 N 1.94 1.66 0.39 4.34 1.00 -1.13 -4.97 119.30 122.54 1wfv s MET 17 Ca 0.02 -1.47 0.05 0.00 0.00 0.00 0.00 55.69 54.28 1wfv s MET 17 Cb -0.15 0.45 -0.06 0.00 0.00 0.00 0.00 34.83 35.07 1wfv s MET 17 CO -0.07 -0.68 0.04 -1.21 0.00 0.00 0.00 175.02 173.10 1wfv s GLU 18 N -3.63 1.86 0.26 2.03 2.02 -1.26 -1.98 118.70 118.00 1wfv s GLU 18 Ca 0.27 -2.07 -0.21 0.00 0.02 0.00 0.00 54.97 52.98 1wfv s GLU 18 Cb 0.00 -1.24 -0.09 0.00 0.10 0.00 0.00 34.13 32.90 1wfv s GLU 18 CO 0.13 -0.17 0.78 0.21 0.02 0.00 0.00 175.26 176.23 1wfv s LYS 19 N -3.80 4.31 0.00 1.61 2.20 0.54 -4.39 119.74 120.21 1wfv s LYS 19 Ca 0.31 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1wfv s LYS 19 Cb 0.08 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1wfv s LYS 19 CO 0.15 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1wfv n GLY 20 N 0.58 3.52 0.12 5.54 0.00 -0.14 -4.85 105.19 109.95 1wfv n GLY 20 Ca -0.01 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.02 -0.17 -0.62 4.61 0.00 -1.98 -3.32 119.26 117.76 1wfv h ALA 21 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 1wfv h ALA 21 Cb 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.68 1wfv h ALA 21 CO 0.00 -0.28 0.23 1.63 0.00 0.00 0.00 179.25 180.83 1wfv n LYS 22 N -4.89 2.25 0.00 0.00 4.76 -1.26 -5.05 118.16 113.96 1wfv n LYS 22 Ca -0.08 -3.09 0.00 0.00 -2.87 0.00 0.00 58.31 52.27 1wfv n LYS 22 Cb 0.28 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfv n GLY 23 N -1.00 -1.41 0.34 0.72 0.00 -1.25 -4.58 105.19 98.02 1wfv n GLY 23 Ca 0.43 -2.21 0.17 0.00 0.00 0.00 0.00 46.02 44.40 1wfv n GLY 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wfv h PHE 24 N 0.00 0.00 -0.72 1.61 0.04 -1.89 -0.35 116.94 115.64 1wfv h PHE 24 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1wfv h PHE 24 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1wfv h PHE 24 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1wfv n GLY 25 N -1.26 0.95 3.33 -1.45 0.00 -1.26 -1.20 105.19 104.30 1wfv n GLY 25 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.72 -0.38 0.33 1.61 -0.12 -1.26 0.24 117.98 115.68 1wfv s PHE 26 Ca 0.00 0.74 0.10 0.00 -0.05 0.00 0.00 56.93 57.72 1wfv s PHE 26 Cb 0.00 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 1wfv s PHE 26 CO 0.00 -0.40 -0.11 0.45 -0.05 0.00 0.00 175.22 175.12 1wfv s SER 27 N -0.84 3.74 0.35 1.98 0.15 0.00 -4.98 113.70 114.11 1wfv s SER 27 Ca -0.09 -1.15 0.05 0.00 0.70 0.00 0.00 55.95 55.45 1wfv s SER 27 Cb -0.03 -0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 1wfv s SER 27 CO 0.04 -0.16 0.05 0.27 1.20 0.00 0.00 173.24 174.64 1wfv s ILE 28 N -2.58 1.38 0.20 6.45 -4.36 -1.26 -1.18 121.20 119.85 1wfv s ILE 28 Ca 0.32 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1wfv s ILE 28 Cb 0.01 -2.83 -0.00 0.00 1.25 0.00 0.00 42.46 40.88 1wfv s ILE 28 CO 0.16 0.00 0.38 0.00 0.24 0.00 0.00 174.94 175.73 1wfv s ARG 29 N -3.85 1.35 1.29 0.37 1.04 0.45 -4.07 118.95 115.53 1wfv s ARG 29 Ca 0.36 -1.20 0.00 0.00 -1.04 0.00 0.00 55.73 53.85 1wfv s ARG 29 Cb 0.09 0.43 0.00 0.00 -2.04 0.00 0.00 34.95 33.42 1wfv s ARG 29 CO 0.16 -0.53 0.00 0.41 -0.04 0.00 0.00 175.30 175.30 1wfv n GLY 30 N -0.30 -1.76 0.00 3.88 0.00 -1.26 -1.23 105.19 104.51 1wfv n GLY 30 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 3.08 0.46 -0.02 0.00 0.12 -3.76 105.19 105.06 1wfv n GLY 31 Ca 0.00 -1.88 0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.54 1.61 2.47 -0.77 0.49 114.38 117.64 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 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1wfv h ARG 32 CO 0.00 0.00 0.24 1.49 0.56 0.00 0.00 179.97 182.26 1wfv h GLU 33 N 0.00 0.76 -0.34 0.04 4.81 -1.88 -2.52 114.58 115.45 1wfv h GLU 33 Ca 0.36 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1wfv h GLU 33 Cb 1.76 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1wfv h GLU 33 CO -0.00 0.60 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 1wfv n TYR 34 N -4.36 0.56 -3.63 0.92 4.01 0.15 -4.99 117.16 109.83 1wfv n TYR 34 Ca 0.05 -0.57 -0.22 0.00 -0.16 0.00 0.00 57.90 57.00 1wfv n TYR 34 Cb 0.14 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.36 -4.13 -3.62 -0.72 4.01 -0.09 -4.87 118.16 109.09 1wfv n LYS 35 Ca 0.14 0.64 -0.10 0.00 -0.51 0.00 0.00 58.31 58.47 1wfv n LYS 35 Cb 0.51 -5.14 -0.04 0.00 -0.51 0.00 0.00 35.03 29.86 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 -5.74 1.22 1.12 1.97 0.23 -1.01 -4.97 119.30 112.11 1wfv s MET 36 Ca 0.13 -0.71 -0.14 0.00 -1.03 0.00 0.00 55.69 53.94 1wfv s MET 36 Cb -0.03 0.51 0.25 0.00 -1.53 0.00 0.00 34.83 34.03 1wfv s MET 36 CO 0.81 -0.51 1.06 -0.51 -2.03 0.00 0.00 175.02 173.84 1wfv s ASP 37 N -2.82 1.52 -0.24 -1.18 1.01 -1.26 -0.70 116.67 113.01 1wfv s ASP 37 Ca 0.05 1.22 -0.13 0.00 0.71 0.00 0.00 52.55 54.40 1wfv s ASP 37 Cb 0.00 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 1wfv s ASP 37 CO -0.09 -3.82 0.28 -0.76 0.21 0.00 0.00 175.17 170.98 1wfv s LEU 38 N -6.91 4.11 0.28 1.23 1.43 -1.26 -3.08 118.68 114.48 1wfv s LEU 38 Ca 0.67 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1wfv s LEU 38 Cb -0.20 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 1wfv s LEU 38 CO 0.60 -0.03 -0.09 -0.31 0.23 0.00 0.00 176.35 176.76 1wfv s TYR 39 N 1.37 2.01 -0.71 0.29 1.51 -0.37 0.42 117.35 121.87 1wfv s TYR 39 Ca 0.13 -0.63 -0.27 0.00 -1.01 0.00 0.00 57.07 55.29 1wfv s TYR 39 Cb -0.14 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1wfv s TYR 39 CO 0.07 0.37 1.32 0.08 -1.11 0.00 0.00 175.55 176.27 1wfv s VAL 40 N -2.91 3.73 0.04 0.71 1.01 -1.22 0.17 120.40 121.92 1wfv s VAL 40 Ca 0.29 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1wfv s VAL 40 Cb 0.02 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1wfv s VAL 40 CO 0.12 -1.71 1.17 0.25 0.00 0.00 0.00 175.10 174.94 1wfv h LEU 41 N 13.14 -0.54 -7.37 3.92 7.12 -1.29 -2.93 115.31 127.36 1wfv h LEU 41 Ca -0.27 0.06 -0.10 0.00 0.13 0.00 0.00 57.88 57.69 1wfv h LEU 41 Cb 1.06 0.21 -0.20 0.00 -0.53 0.00 0.00 40.66 41.20 1wfv h LEU 41 CO 1.26 -0.16 -0.16 -0.60 -0.13 0.00 0.00 178.44 178.66 1wfv s ARG 42 N -3.85 0.75 0.11 1.25 3.00 -1.25 -4.72 118.95 114.24 1wfv s ARG 42 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 55.73 54.65 1wfv s ARG 42 Cb 0.02 0.34 -0.04 0.00 0.00 0.00 0.00 34.95 35.27 1wfv s ARG 42 CO 0.19 -0.21 0.28 -0.51 0.00 0.00 0.00 175.30 175.05 1wfv s LEU 43 N -1.18 4.32 -0.38 -0.88 1.43 -1.26 -0.82 118.68 119.91 1wfv s LEU 43 Ca -0.12 0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1wfv s LEU 43 Cb -0.04 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1wfv s LEU 43 CO 0.05 0.10 0.64 0.00 0.23 0.00 0.00 176.35 177.37 1wfv s ALA 44 N -1.62 3.42 0.58 4.21 0.00 0.14 -4.92 121.76 123.57 1wfv s ALA 44 Ca 0.37 -0.96 0.28 0.00 0.00 0.00 0.00 51.96 51.65 1wfv s ALA 44 Cb -0.12 -3.21 1.68 0.00 0.00 0.00 0.00 23.12 21.46 1wfv s ALA 44 CO 0.27 -1.47 2.16 1.05 0.00 0.00 0.00 175.76 177.78 1wfv h GLU 45 N 8.59 0.00 -0.52 0.00 4.11 -1.98 0.47 114.58 125.25 1wfv h GLU 45 Ca -0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.98 1wfv h GLU 45 Cb 1.11 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 1wfv h GLU 45 CO 0.85 0.00 0.14 -0.40 0.07 0.00 0.00 179.01 179.67 1wfv n ASP 46 N -3.92 3.68 -4.64 3.06 5.75 -1.26 -4.97 116.55 114.25 1wfv n ASP 46 Ca -0.00 -3.40 -0.24 0.00 -0.01 0.00 0.00 54.79 51.13 1wfv n ASP 46 Cb 0.21 -0.67 -0.08 0.00 -1.03 0.00 0.00 41.12 39.55 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wfv s GLY 47 N -1.80 1.95 0.51 6.12 0.00 0.16 -4.89 107.32 109.36 1wfv s GLY 47 Ca 0.49 -1.87 0.29 0.00 0.00 0.00 0.00 44.72 43.63 1wfv s GLY 47 CO 0.07 -1.84 1.94 -0.56 0.00 0.00 0.00 173.10 172.71 1wfv h PRO 48 N 1.81 0.00 0.57 2.90 0.13 -1.80 -3.25 132.00 132.36 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 0.64 0.11 -0.28 0.00 -0.23 0.00 0.00 178.00 178.25 1wfv h ALA 49 N 1.89 -0.77 0.00 -0.56 0.00 -1.39 -2.16 119.26 116.28 1wfv h ALA 49 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wfv h ALA 49 Cb 0.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wfv h ALA 49 CO 0.01 -0.78 0.29 0.97 0.00 0.00 0.00 179.25 179.74 1wfv h ILE 50 N -1.07 0.00 0.00 0.00 2.10 -1.71 0.68 117.51 117.50 1wfv h ILE 50 Ca -0.08 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.65 1wfv h ILE 50 Cb 0.65 0.36 -0.04 0.00 -1.09 0.00 0.00 36.82 36.70 1wfv h ILE 50 CO 0.13 0.00 -1.64 0.54 -1.08 0.00 0.00 178.15 176.10 1wfv n ARG 51 N -2.19 0.63 0.48 2.19 1.74 -1.04 -4.39 116.66 114.08 1wfv n ARG 51 Ca -0.01 0.18 -0.19 0.00 -0.77 0.00 0.00 57.85 57.06 1wfv n ARG 51 Cb 0.31 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.04 0.00 0.55 -1.24 0.10 -3.47 115.58 110.48 1wfv h ASN 52 Ca -0.23 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1wfv h ASN 52 Cb 1.72 0.27 0.00 0.00 0.73 0.00 0.00 38.32 41.04 1wfv h ASN 52 CO 0.05 -0.70 0.00 0.61 -1.29 0.00 0.00 177.43 176.10 1wfv n GLY 53 N -1.36 2.82 0.58 1.57 0.00 -1.19 -4.83 105.19 102.78 1wfv n GLY 53 Ca -0.15 -0.70 0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.50 1.61 5.12 -1.26 -4.11 116.66 113.52 1wfv n ARG 54 Ca 0.00 0.91 -0.22 0.00 -1.93 0.00 0.00 57.85 56.61 1wfv n ARG 54 Cb 0.00 -2.08 -0.14 0.00 -1.16 0.00 0.00 32.46 29.08 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 -4.56 1.07 0.22 5.56 0.23 -1.26 -4.92 119.30 115.64 1wfv s MET 55 Ca -0.04 -0.69 -0.01 0.00 -1.03 0.00 0.00 55.69 53.92 1wfv s MET 55 Cb 0.22 -1.08 -0.03 0.00 -1.53 0.00 0.00 34.83 32.41 1wfv s MET 55 CO 0.74 0.28 0.19 1.03 -2.03 0.00 0.00 175.02 175.22 1wfv s ARG 56 N -0.85 1.32 -0.15 3.16 3.00 -1.26 -4.82 118.95 119.35 1wfv s ARG 56 Ca 0.04 -1.65 -0.29 0.00 0.00 0.00 0.00 55.73 53.82 1wfv s ARG 56 Cb -0.07 0.30 -0.01 0.00 0.00 0.00 0.00 34.95 35.17 1wfv s ARG 56 CO 0.01 -0.45 1.11 0.54 0.00 0.00 0.00 175.30 176.50 1wfv s VAL 57 N -4.03 4.54 0.00 3.52 0.11 -1.26 -3.45 120.40 119.83 1wfv s VAL 57 Ca 0.38 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 61.27 1wfv s VAL 57 Cb 0.06 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1wfv s VAL 57 CO 0.14 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1wfv n GLY 58 N 3.34 0.99 2.80 6.54 0.00 -1.11 -5.01 105.19 112.73 1wfv n GLY 58 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.76 -4.03 1.61 9.92 -1.22 -4.91 116.55 118.68 1wfv n ASP 59 Ca 0.00 -1.71 -0.31 0.00 -0.53 0.00 0.00 54.79 52.24 1wfv n ASP 59 Cb 0.00 -0.53 -0.16 0.00 -0.64 0.00 0.00 41.12 39.79 1wfv n ASP 59 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1wfv s GLN 60 N -4.53 2.28 -0.22 -1.24 -0.44 -1.17 -3.44 119.66 110.90 1wfv s GLN 60 Ca 0.49 -0.79 -0.23 0.00 -2.50 0.00 0.00 55.36 52.33 1wfv s GLN 60 Cb -0.02 -2.38 -0.01 0.00 -1.64 0.00 0.00 33.01 28.95 1wfv s GLN 60 CO 0.33 -0.35 0.74 0.42 0.50 0.00 0.00 175.29 176.94 1wfv s ILE 61 N 1.39 4.92 -0.03 -2.34 1.01 0.17 -1.47 121.20 124.85 1wfv s ILE 61 Ca 0.01 1.39 0.17 0.00 0.00 0.00 0.00 60.65 62.22 1wfv s ILE 61 Cb -0.15 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 1wfv s ILE 61 CO -0.09 0.01 0.36 2.30 0.00 0.00 0.00 174.94 177.52 1wfv n ILE 62 N 5.03 0.00 -4.10 2.92 -0.00 -0.36 -4.06 119.36 118.78 1wfv n ILE 62 Ca 0.02 -0.37 -0.11 0.00 -0.00 0.00 0.00 62.75 62.29 1wfv n ILE 62 Cb 0.49 0.13 -0.11 0.00 -0.00 0.00 0.00 39.64 40.15 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 -3.14 0.65 -0.18 6.28 2.56 -1.05 -3.30 118.70 120.53 1wfv s GLU 63 Ca -0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 54.97 53.82 1wfv s GLU 63 Cb 0.11 -0.16 0.09 0.00 2.00 0.00 0.00 34.13 36.17 1wfv s GLU 63 CO 0.68 -0.01 0.29 0.42 -0.56 0.00 0.00 175.26 176.08 1wfv s ILE 64 N -2.66 -0.45 -1.43 -3.70 1.01 -1.20 -1.98 121.20 110.80 1wfv s ILE 64 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1wfv s ILE 64 Cb -0.01 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.88 1wfv s ILE 64 CO -0.03 -0.03 0.59 0.59 0.00 0.00 0.00 174.94 176.06 1wfv n ASN 65 N 5.35 -1.37 -2.15 3.58 3.02 0.11 -0.06 115.26 123.74 1wfv n ASN 65 Ca -0.06 -0.93 -0.18 0.00 -0.03 0.00 0.00 54.58 53.38 1wfv n ASN 65 Cb 0.50 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.27 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 -1.78 0.17 3.02 7.41 0.00 -1.25 -4.94 105.19 107.82 1wfv n GLY 66 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.60 1.66 -0.48 1.61 2.02 0.91 -5.06 118.70 114.77 1wfv s GLU 67 Ca 0.00 -1.70 -0.39 0.00 0.02 0.00 0.00 54.97 52.90 1wfv s GLU 67 Cb 0.00 -3.08 -0.17 0.00 0.10 0.00 0.00 34.13 30.98 1wfv s GLU 67 CO 0.00 -0.84 1.97 0.43 0.02 0.00 0.00 175.26 176.84 1wfv n SER 68 N 4.32 0.65 -2.66 -0.19 7.64 -1.26 -3.23 113.62 118.90 1wfv n SER 68 Ca -0.01 0.58 -0.19 0.00 1.01 0.00 0.00 58.87 60.26 1wfv n SER 68 Cb 0.42 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wfv n THR 69 N 5.94 2.83 -4.38 0.44 -2.24 -1.21 -4.85 114.28 110.82 1wfv n THR 69 Ca 0.50 -1.57 -0.34 0.00 -2.27 0.00 0.00 64.05 60.37 1wfv n THR 69 Cb -0.03 -2.12 -0.11 0.00 -2.10 0.00 0.00 70.33 65.97 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 2.10 3.32 -1.42 -0.78 1.70 -1.26 -4.49 118.95 118.12 1wfv s ARG 70 Ca 0.53 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 55.28 1wfv s ARG 70 Cb 0.20 -2.86 0.03 0.00 -0.57 0.00 0.00 34.95 31.75 1wfv s ARG 70 CO -0.02 0.48 0.44 -0.25 -1.08 0.00 0.00 175.30 174.86 1wfv n ASP 71 N 2.83 -4.99 -4.77 -2.89 8.00 -1.26 -4.96 116.55 108.51 1wfv n ASP 71 Ca -0.18 -0.24 -0.31 0.00 0.71 0.00 0.00 54.79 54.78 1wfv n ASP 71 Cb 0.53 -4.09 -0.07 0.00 -0.02 0.00 0.00 41.12 37.47 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wfv s MET 72 N -5.67 2.87 0.02 -1.24 -1.94 -1.26 -4.93 119.30 107.15 1wfv s MET 72 Ca 0.27 -0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 53.56 1wfv s MET 72 Cb -0.13 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1wfv s MET 72 CO 0.34 0.57 0.18 0.95 -0.01 0.00 0.00 175.02 177.05 1wfv s THR 73 N -1.36 5.29 0.40 2.05 -4.23 -1.26 -0.29 115.64 116.24 1wfv s THR 73 Ca 0.28 -0.31 0.28 0.00 -1.18 0.00 0.00 61.69 60.77 1wfv s THR 73 Cb -0.12 -3.51 0.44 0.00 1.34 0.00 0.00 72.50 70.64 1wfv s THR 73 CO 0.21 0.25 1.46 1.57 -0.54 0.00 0.00 174.62 177.56 1wfv n HIS 74 N 0.69 0.75 -0.09 3.99 -0.00 -1.25 0.16 115.22 119.48 1wfv n HIS 74 Ca -0.09 0.76 -0.10 0.00 0.46 0.00 0.00 57.72 58.75 1wfv n HIS 74 Cb 0.52 -1.18 -0.03 0.00 -0.12 0.00 0.00 29.99 29.18 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 1.57 0.36 0.16 1.57 0.00 -1.93 -2.54 119.26 118.46 1wfv h ALA 75 Ca 0.81 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 1wfv h ALA 75 Cb 2.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 20.19 1wfv h ALA 75 CO -0.50 -0.06 -0.27 -0.09 0.00 0.00 0.00 179.25 178.33 1wfv h ARG 76 N 0.31 -0.44 -1.06 0.00 9.65 0.11 -1.80 114.38 121.15 1wfv h ARG 76 Ca 0.09 0.03 0.31 0.00 -1.10 0.00 0.00 59.98 59.31 1wfv h ARG 76 Cb 0.14 0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 28.70 1wfv h ARG 76 CO -0.01 -0.30 0.64 0.00 2.80 0.00 0.00 179.97 183.11 1wfv h ALA 77 N -1.18 2.10 -0.11 2.80 0.00 -1.56 0.96 119.26 122.28 1wfv h ALA 77 Ca -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1wfv h ALA 77 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wfv h ALA 77 CO -0.09 -0.63 -0.06 0.82 0.00 0.00 0.00 179.25 179.29 1wfv h ILE 78 N 0.37 1.11 0.00 0.00 1.08 -0.91 -2.14 117.51 117.03 1wfv h ILE 78 Ca 0.69 -0.48 -0.20 0.00 -0.39 0.00 0.00 64.86 64.47 1wfv h ILE 78 Cb 1.65 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 1wfv h ILE 78 CO -0.47 0.15 -1.17 1.05 -0.69 0.00 0.00 178.15 177.02 1wfv h GLU 79 N 0.16 0.00 -0.56 2.37 4.11 0.17 -3.33 114.58 117.49 1wfv h GLU 79 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.38 1wfv h GLU 79 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wfv h GLU 79 CO 0.01 0.63 -0.01 -0.07 0.07 0.00 0.00 179.01 179.64 1wfv h LEU 80 N 0.00 0.95 -1.69 3.06 3.38 -0.43 0.49 115.31 121.07 1wfv h LEU 80 Ca -0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1wfv h LEU 80 Cb 1.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1wfv h LEU 80 CO 0.09 1.01 -0.13 0.40 0.09 0.00 0.00 178.44 179.90 1wfv h ILE 81 N 0.89 1.11 0.00 1.22 2.04 -1.55 -2.10 117.51 119.13 1wfv h ILE 81 Ca 0.16 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1wfv h ILE 81 Cb 0.53 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1wfv h ILE 81 CO 0.03 0.14 -1.39 2.29 0.00 0.00 0.00 178.15 179.22 1wfv n LYS 82 N -4.37 0.39 0.07 2.37 2.85 -0.99 -4.22 118.16 114.26 1wfv n LYS 82 Ca -0.02 -0.07 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 1wfv n LYS 82 Cb 0.21 -1.56 -0.01 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 0.39 -0.34 -5.58 0.87 0.61 -3.28 113.55 106.23 1wfv h SER 83 Ca 0.00 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.16 1wfv h SER 83 Cb 0.80 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1wfv h SER 83 CO 0.00 1.09 -0.16 1.23 -0.53 0.00 0.00 176.83 178.46 1wfv h GLY 84 N 1.52 0.77 0.00 5.77 0.00 -1.58 -3.50 103.07 106.05 1wfv h GLY 84 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1wfv h GLY 84 CO 0.14 0.63 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1wfv n GLY 85 N -0.06 0.24 0.15 4.60 0.00 -1.24 -4.74 105.19 104.14 1wfv n GLY 85 Ca -0.02 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.42 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 -5.08 1.61 3.08 -1.92 -3.44 114.38 108.64 1wfv h ARG 86 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1wfv h ARG 86 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.80 1wfv h ARG 86 CO 0.00 0.48 -0.69 1.03 -1.07 0.00 0.00 179.97 179.72 1wfv s ARG 87 N -3.09 3.52 -0.04 0.04 0.52 -1.26 0.20 118.95 118.83 1wfv s ARG 87 Ca 0.03 -0.57 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1wfv s ARG 87 Cb 0.08 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1wfv s ARG 87 CO 0.73 -0.06 -0.25 0.54 0.02 0.00 0.00 175.30 176.28 1wfv s VAL 88 N 1.16 2.02 -0.19 3.52 0.11 -0.84 -4.83 120.40 121.35 1wfv s VAL 88 Ca 0.02 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1wfv s VAL 88 Cb -0.14 -1.69 0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1wfv s VAL 88 CO 0.00 0.56 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.73 1wfv s ARG 89 N -0.35 1.03 0.05 1.54 3.52 -1.26 -2.82 118.95 120.67 1wfv s ARG 89 Ca 0.02 -0.53 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1wfv s ARG 89 Cb -0.12 -2.11 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 1wfv s ARG 89 CO 0.02 -0.56 -0.21 -0.48 -0.81 0.00 0.00 175.30 173.26 1wfv s LEU 90 N 1.72 2.19 -0.48 -0.88 2.34 -1.19 0.05 118.68 122.43 1wfv s LEU 90 Ca -0.01 -0.55 -0.24 0.00 0.06 0.00 0.00 54.13 53.39 1wfv s LEU 90 Cb -0.17 -0.95 0.03 0.00 -0.56 0.00 0.00 46.19 44.54 1wfv s LEU 90 CO -0.07 0.14 0.89 -0.22 -1.06 0.00 0.00 176.35 176.03 1wfv s LEU 91 N -1.29 4.10 0.18 1.48 0.20 -0.84 -0.58 118.68 121.94 1wfv s LEU 91 Ca 0.07 -0.06 0.05 0.00 0.69 0.00 0.00 54.13 54.88 1wfv s LEU 91 Cb -0.09 -3.04 -0.04 0.00 -0.43 0.00 0.00 46.19 42.59 1wfv s LEU 91 CO 0.02 -1.06 0.15 -0.22 -0.29 0.00 0.00 176.35 174.96 1wfv s LEU 92 N 3.67 3.82 -0.09 -0.68 2.96 -0.85 -1.23 118.68 126.28 1wfv s LEU 92 Ca 0.33 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1wfv s LEU 92 Cb -0.11 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.18 1wfv s LEU 92 CO 0.24 0.04 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.41 1wfv s LYS 93 N -3.28 2.08 -0.18 1.98 2.20 -0.54 -3.30 119.74 118.69 1wfv s LYS 93 Ca 0.31 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 55.27 1wfv s LYS 93 Cb -0.10 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.47 1wfv s LYS 93 CO 0.24 0.01 0.23 0.50 -0.36 0.00 0.00 175.35 175.97 1wfv s ARG 94 N 0.75 4.23 -0.35 4.03 6.06 -1.26 -3.05 118.95 129.35 1wfv s ARG 94 Ca -0.12 -0.04 -0.03 0.00 -2.50 0.00 0.00 55.73 53.04 1wfv s ARG 94 Cb -0.16 -3.43 0.05 0.00 0.06 0.00 0.00 34.95 31.48 1wfv s ARG 94 CO 0.03 0.25 2.68 0.41 -2.50 0.00 0.00 175.30 176.17 1wfv n GLY 95 N 3.48 4.07 0.07 8.12 0.00 -1.26 -4.47 105.19 115.21 1wfv n GLY 95 Ca -0.13 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 0.97 0.67 -1.68 2.61 5.66 -1.26 -4.81 114.28 116.44 1wfv n THR 96 Ca 0.42 0.08 -0.30 0.00 -3.05 0.00 0.00 64.05 61.21 1wfv n THR 96 Cb 0.60 -0.87 0.18 0.00 -1.55 0.00 0.00 70.33 68.69 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 -3.31 1.68 0.00 1.09 0.00 -1.26 -4.95 107.32 100.56 1wfv s GLY 97 Ca 0.08 -0.97 0.18 0.00 0.00 0.00 0.00 44.72 44.01 1wfv s GLY 97 CO 0.43 -0.24 1.50 -1.14 0.00 0.00 0.00 173.10 173.64 1wfv n SER 98 N -3.93 1.46 0.00 1.64 3.41 -1.26 -4.94 113.62 110.00 1wfv n SER 98 Ca 0.12 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 1wfv n SER 98 Cb 0.60 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 1.06 0.54 3.75 5.00 0.00 -1.26 -4.36 105.19 109.92 1wfv n GLY 99 Ca 0.15 0.64 -0.41 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 4.43 -0.07 1.61 0.04 -1.26 -4.91 135.00 134.84 1wfv s PRO 100 Ca 0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wfv s PRO 100 Cb 0.00 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1wfv s PRO 100 CO 0.00 -0.15 2.44 0.43 0.04 0.00 0.00 177.00 179.76 1wfv n SER 101 N 1.86 5.54 -4.94 6.66 7.64 -1.26 -4.88 113.62 124.24 1wfv n SER 101 Ca 0.03 -2.56 -0.26 0.00 1.01 0.00 0.00 58.87 57.09 1wfv n SER 101 Cb 0.43 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 1wfv n SER 101 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfv s SER 102 N 1.66 6.35 0.00 6.43 1.04 -1.26 -5.26 113.70 122.66 1wfv s SER 102 Ca 0.24 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1wfv s SER 102 Cb 0.13 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1wfv s SER 102 CO -0.01 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.83