#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 5.98 -1.16 1.61 0.01 -1.26 -3.84 113.70 115.04 1wfv s SER 2 Ca 0.00 1.95 -0.00 0.00 1.31 0.00 0.00 55.95 59.21 1wfv s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1wfv s SER 2 CO 0.00 -1.04 0.97 -0.24 0.41 0.00 0.00 173.24 173.35 1wfv n SER 3 N -1.43 -2.22 -4.76 2.44 2.88 -1.26 -4.99 113.62 104.28 1wfv n SER 3 Ca 0.10 -0.59 -0.36 0.00 -1.33 0.00 0.00 58.87 56.69 1wfv n SER 3 Cb 0.52 -4.95 -0.08 0.00 -0.75 0.00 0.00 64.21 58.95 1wfv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfv s GLY 4 N -4.27 2.04 -0.04 0.46 0.00 -1.25 -5.09 107.32 99.18 1wfv s GLY 4 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1wfv s GLY 4 CO 0.70 -0.09 0.05 -0.45 0.00 0.00 0.00 173.10 173.31 1wfv s SER 5 N -0.17 0.84 -0.46 1.64 0.15 -1.26 -5.10 113.70 109.33 1wfv s SER 5 Ca 0.10 0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.85 1wfv s SER 5 Cb -0.12 -0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.20 1wfv s SER 5 CO 0.01 -0.22 0.21 -0.55 1.20 0.00 0.00 173.24 173.89 1wfv s SER 6 N 1.87 4.24 -0.35 5.45 0.15 -1.26 -4.92 113.70 118.89 1wfv s SER 6 Ca 0.01 -2.73 -0.07 0.00 0.70 0.00 0.00 55.95 53.86 1wfv s SER 6 Cb -0.12 -1.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1wfv s SER 6 CO -0.03 -0.27 0.25 0.61 1.20 0.00 0.00 173.24 174.99 1wfv n GLY 7 N 3.46 -2.99 3.09 9.45 0.00 -1.26 -5.01 105.19 111.93 1wfv n GLY 7 Ca 0.05 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 1wfv n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wfv s GLN 8 N -2.02 2.37 0.25 1.61 -2.07 -1.26 -5.10 119.66 113.44 1wfv s GLN 8 Ca 0.10 -1.27 0.01 0.00 -1.82 0.00 0.00 55.36 52.39 1wfv s GLN 8 Cb -0.03 -2.89 -0.00 0.00 -1.09 0.00 0.00 33.01 29.00 1wfv s GLN 8 CO 0.77 -0.53 0.03 -0.25 -1.32 0.00 0.00 175.29 173.98 1wfv n ASP 9 N 4.48 2.19 -3.08 12.60 9.92 -1.26 -5.15 116.55 136.24 1wfv n ASP 9 Ca -0.15 -2.17 -0.15 0.00 -0.53 0.00 0.00 54.79 51.79 1wfv n ASP 9 Cb 0.43 0.31 0.14 0.00 -0.64 0.00 0.00 41.12 41.36 1wfv n ASP 9 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1wfv n PHE 10 N -0.61 -3.07 -1.86 1.24 3.72 -1.26 -4.85 117.46 110.77 1wfv n PHE 10 Ca -0.08 -0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 56.46 1wfv n PHE 10 Cb 0.34 -0.61 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 1wfv n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wfv s ASP 11 N -2.68 6.29 -0.78 4.37 1.11 -1.26 -4.92 116.67 118.79 1wfv s ASP 11 Ca 0.34 2.12 -0.24 0.00 0.18 0.00 0.00 52.55 54.96 1wfv s ASP 11 Cb -0.05 -2.53 0.06 0.00 1.07 0.00 0.00 42.92 41.47 1wfv s ASP 11 CO 0.28 -1.26 1.16 -0.31 1.18 0.00 0.00 175.17 176.22 1wfv s TYR 12 N 5.32 2.59 0.29 4.23 2.02 -1.26 -4.35 117.35 126.18 1wfv s TYR 12 Ca 0.82 -0.55 0.09 0.00 -0.37 0.00 0.00 57.07 57.06 1wfv s TYR 12 Cb -0.34 -4.46 -0.04 0.00 -0.40 0.00 0.00 41.96 36.72 1wfv s TYR 12 CO 0.34 -1.81 0.09 -0.59 -1.57 0.00 0.00 175.55 172.01 1wfv s PHE 13 N 4.55 2.79 0.20 2.71 -0.71 -1.03 -5.00 117.98 121.50 1wfv s PHE 13 Ca 0.31 -0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.01 1wfv s PHE 13 Cb -0.10 -1.38 -0.04 0.00 -1.21 0.00 0.00 43.02 40.30 1wfv s PHE 13 CO 0.06 0.51 0.21 0.95 -1.34 0.00 0.00 175.22 175.61 1wfv s THR 14 N -2.31 4.73 0.00 -4.49 -4.23 -1.26 -1.08 115.64 107.00 1wfv s THR 14 Ca 0.34 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1wfv s THR 14 Cb -0.06 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1wfv s THR 14 CO 0.22 -0.22 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 1wfv s VAL 15 N -1.91 3.06 -0.18 2.29 1.01 0.33 -4.86 120.40 120.14 1wfv s VAL 15 Ca 0.33 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1wfv s VAL 15 Cb -0.09 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1wfv s VAL 15 CO 0.26 0.43 0.04 -0.62 0.00 0.00 0.00 175.10 175.21 1wfv s ASP 16 N -1.21 2.70 0.34 3.32 2.15 -1.26 -3.30 116.67 119.40 1wfv s ASP 16 Ca 0.14 -0.72 0.01 0.00 0.43 0.00 0.00 52.55 52.41 1wfv s ASP 16 Cb -0.11 -0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 41.99 1wfv s ASP 16 CO 0.04 -0.30 0.41 -0.04 -0.17 0.00 0.00 175.17 175.10 1wfv s MET 17 N 1.92 1.85 0.37 4.34 -1.94 -1.10 -4.99 119.30 119.74 1wfv s MET 17 Ca 0.00 -1.84 0.04 0.00 -1.71 0.00 0.00 55.69 52.18 1wfv s MET 17 Cb -0.16 0.40 -0.04 0.00 2.01 0.00 0.00 34.83 37.03 1wfv s MET 17 CO -0.08 -0.74 0.08 -1.21 -0.01 0.00 0.00 175.02 173.06 1wfv s GLU 18 N -3.20 1.80 0.36 2.03 2.02 -1.26 -2.22 118.70 118.23 1wfv s GLU 18 Ca 0.34 -2.05 -0.17 0.00 0.02 0.00 0.00 54.97 53.10 1wfv s GLU 18 Cb 0.01 -0.81 -0.10 0.00 0.10 0.00 0.00 34.13 33.33 1wfv s GLU 18 CO 0.22 -0.31 0.81 0.21 0.02 0.00 0.00 175.26 176.21 1wfv s LYS 19 N -3.82 4.09 0.00 1.61 2.20 0.40 -4.39 119.74 119.83 1wfv s LYS 19 Ca 0.29 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1wfv s LYS 19 Cb 0.06 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1wfv s LYS 19 CO 0.14 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 1wfv n GLY 20 N -0.43 4.75 0.05 5.54 0.00 0.11 -4.83 105.19 110.37 1wfv n GLY 20 Ca 0.05 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 0.55 -0.03 -0.47 4.61 0.00 -1.98 -3.16 119.26 118.78 1wfv h ALA 21 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1wfv h ALA 21 Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.66 1wfv h ALA 21 CO 0.00 -0.43 0.05 1.63 0.00 0.00 0.00 179.25 180.50 1wfv n LYS 22 N -5.03 1.93 0.00 0.00 4.01 -1.26 -5.07 118.16 112.75 1wfv n LYS 22 Ca -0.08 -3.16 0.00 0.00 -0.51 0.00 0.00 58.31 54.56 1wfv n LYS 22 Cb 0.11 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfv n GLY 23 N -1.12 -1.32 0.19 0.72 0.00 -1.20 -4.53 105.19 97.93 1wfv n GLY 23 Ca 0.38 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.14 1.61 0.04 -1.87 0.30 116.94 115.88 1wfv h PHE 24 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1wfv h PHE 24 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1wfv h PHE 24 CO 0.00 0.00 -0.06 0.41 -0.60 0.00 0.00 178.31 178.06 1wfv n GLY 25 N -1.27 0.67 3.33 -1.45 0.00 -1.26 -1.35 105.19 103.86 1wfv n GLY 25 Ca -0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.77 -0.43 0.44 1.61 -0.12 -1.26 0.45 117.98 115.90 1wfv s PHE 26 Ca 0.04 0.96 0.06 0.00 -0.05 0.00 0.00 56.93 57.95 1wfv s PHE 26 Cb -0.02 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1wfv s PHE 26 CO 0.05 -0.30 0.15 0.45 -0.05 0.00 0.00 175.22 175.52 1wfv s SER 27 N -0.26 4.32 0.24 1.98 0.15 -0.42 -5.00 113.70 114.71 1wfv s SER 27 Ca -0.04 -1.23 0.01 0.00 0.70 0.00 0.00 55.95 55.39 1wfv s SER 27 Cb -0.03 -0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1wfv s SER 27 CO 0.02 -0.64 0.11 0.27 1.20 0.00 0.00 173.24 174.21 1wfv s ILE 28 N -2.68 0.35 0.25 6.45 -4.36 -1.26 -2.31 121.20 117.64 1wfv s ILE 28 Ca 0.34 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.61 1wfv s ILE 28 Cb 0.04 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1wfv s ILE 28 CO 0.19 0.00 0.46 0.00 0.24 0.00 0.00 174.94 175.83 1wfv s ARG 29 N -4.07 1.54 1.17 0.37 1.70 0.38 -4.22 118.95 115.82 1wfv s ARG 29 Ca 0.38 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 1wfv s ARG 29 Cb 0.07 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1wfv s ARG 29 CO 0.13 -0.63 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1wfv n GLY 30 N -0.38 -1.77 0.00 3.88 0.00 -1.26 -1.38 105.19 104.28 1wfv n GLY 30 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.26 2.58 0.44 -0.02 0.00 0.27 -3.49 105.19 104.70 1wfv n GLY 31 Ca 0.00 -1.96 0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.24 1.61 2.47 -0.71 0.48 114.38 117.98 1wfv h ARG 32 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 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 0.02 1.49 0.56 0.00 0.00 179.97 182.04 1wfv h GLU 33 N 0.00 0.35 -0.19 0.04 4.81 -1.87 -2.58 114.58 115.13 1wfv h GLU 33 Ca 0.33 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1wfv h GLU 33 Cb 1.56 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1wfv h GLU 33 CO -0.00 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.30 1wfv n TYR 34 N -4.36 0.33 -3.59 0.92 4.01 0.15 -5.00 117.16 109.62 1wfv n TYR 34 Ca 0.00 -0.59 -0.22 0.00 -0.16 0.00 0.00 57.90 56.94 1wfv n TYR 34 Cb 0.18 -0.08 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.12 -3.91 -3.62 -0.72 4.01 0.07 -4.87 118.16 109.00 1wfv n LYS 35 Ca 0.09 0.65 -0.10 0.00 -0.51 0.00 0.00 58.31 58.45 1wfv n LYS 35 Cb 0.45 -5.16 -0.03 0.00 -0.51 0.00 0.00 35.03 29.77 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 -5.64 1.35 1.09 1.97 0.23 -0.93 -4.97 119.30 112.41 1wfv s MET 36 Ca 0.17 -0.72 -0.14 0.00 -1.03 0.00 0.00 55.69 53.98 1wfv s MET 36 Cb -0.04 0.55 0.24 0.00 -1.53 0.00 0.00 34.83 34.04 1wfv s MET 36 CO 0.80 -0.58 1.07 -0.51 -2.03 0.00 0.00 175.02 173.77 1wfv s ASP 37 N -2.82 1.80 -0.31 -1.18 1.01 -1.26 -0.56 116.67 113.34 1wfv s ASP 37 Ca 0.06 1.17 -0.14 0.00 0.71 0.00 0.00 52.55 54.35 1wfv s ASP 37 Cb -0.01 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 1wfv s ASP 37 CO -0.07 -3.64 0.32 -0.76 0.21 0.00 0.00 175.17 171.23 1wfv s LEU 38 N -6.78 4.24 0.33 1.23 1.43 -1.25 -2.95 118.68 114.93 1wfv s LEU 38 Ca 0.67 -0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 1wfv s LEU 38 Cb -0.19 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 1wfv s LEU 38 CO 0.59 -0.22 -0.11 -0.31 0.23 0.00 0.00 176.35 176.53 1wfv s TYR 39 N 1.95 2.40 -0.43 0.29 1.51 -0.48 0.69 117.35 123.28 1wfv s TYR 39 Ca 0.11 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 1wfv s TYR 39 Cb -0.16 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1wfv s TYR 39 CO 0.11 0.61 1.18 0.08 -1.11 0.00 0.00 175.55 176.42 1wfv s VAL 40 N -2.57 4.21 0.06 0.71 1.01 -1.15 0.14 120.40 122.81 1wfv s VAL 40 Ca 0.32 1.28 -0.33 0.00 0.00 0.00 0.00 61.98 63.25 1wfv s VAL 40 Cb 0.00 -4.47 -0.19 0.00 0.00 0.00 0.00 36.38 31.72 1wfv s VAL 40 CO 0.16 -0.84 1.53 0.25 0.00 0.00 0.00 175.10 176.21 1wfv h LEU 41 N 11.14 -0.84 -7.06 3.92 7.12 -1.63 -3.06 115.31 124.90 1wfv h LEU 41 Ca -0.23 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.73 1wfv h LEU 41 Cb 1.07 0.22 -0.19 0.00 -0.53 0.00 0.00 40.66 41.22 1wfv h LEU 41 CO 1.10 -0.57 0.13 -0.60 -0.13 0.00 0.00 178.44 178.37 1wfv s ARG 42 N -5.81 1.00 0.08 1.25 3.00 -1.26 -4.80 118.95 112.41 1wfv s ARG 42 Ca -0.18 0.26 0.01 0.00 -1.00 0.00 0.00 55.73 54.82 1wfv s ARG 42 Cb 0.03 0.47 -0.04 0.00 0.00 0.00 0.00 34.95 35.41 1wfv s ARG 42 CO 0.59 -0.30 0.21 -0.51 0.00 0.00 0.00 175.30 175.30 1wfv s LEU 43 N -1.10 4.30 -0.32 -0.88 1.43 -1.26 -1.30 118.68 119.56 1wfv s LEU 43 Ca -0.11 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.98 1wfv s LEU 43 Cb -0.01 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1wfv s LEU 43 CO 0.09 0.14 0.80 0.00 0.23 0.00 0.00 176.35 177.61 1wfv s ALA 44 N -1.55 3.51 0.49 4.21 0.00 0.17 -4.91 121.76 123.68 1wfv s ALA 44 Ca 0.34 -0.44 0.34 0.00 0.00 0.00 0.00 51.96 52.20 1wfv s ALA 44 Cb -0.12 -3.33 1.82 0.00 0.00 0.00 0.00 23.12 21.49 1wfv s ALA 44 CO 0.28 -1.26 2.19 1.05 0.00 0.00 0.00 175.76 178.01 1wfv h GLU 45 N 8.18 0.00 -0.22 0.00 4.11 -1.98 -1.38 114.58 123.29 1wfv h GLU 45 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1wfv h GLU 45 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wfv h GLU 45 CO 0.90 0.04 0.00 -3.47 0.07 0.00 0.00 179.01 176.55 1wfv n ASP 46 N -3.44 3.17 -4.93 3.06 2.03 -1.26 -4.98 116.55 110.20 1wfv n ASP 46 Ca -0.02 -2.59 -0.20 0.00 0.52 0.00 0.00 54.79 52.50 1wfv n ASP 46 Cb 0.16 -0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.66 1.83 0.35 0.27 0.00 -0.52 -4.92 107.32 102.67 1wfv s GLY 47 Ca 0.30 -1.65 0.14 0.00 0.00 0.00 0.00 44.72 43.51 1wfv s GLY 47 CO 0.09 -1.53 1.75 -0.56 0.00 0.00 0.00 173.10 172.86 1wfv h PRO 48 N 0.98 0.00 0.78 2.90 0.13 -1.82 -3.28 132.00 131.69 1wfv h PRO 48 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.54 0.44 -0.45 0.00 -0.23 0.00 0.00 178.00 178.30 1wfv h ALA 49 N 1.56 -1.27 0.00 -0.56 0.00 -1.44 -0.64 119.26 116.91 1wfv h ALA 49 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wfv h ALA 49 Cb 0.83 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wfv h ALA 49 CO 0.06 -1.22 0.28 0.97 0.00 0.00 0.00 179.25 179.34 1wfv h ILE 50 N -1.14 0.00 0.00 0.00 2.10 -1.70 0.57 117.51 117.34 1wfv h ILE 50 Ca -0.10 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.63 1wfv h ILE 50 Cb 0.91 0.46 -0.04 0.00 -1.09 0.00 0.00 36.82 37.06 1wfv h ILE 50 CO 0.12 0.00 -1.49 0.03 -1.08 0.00 0.00 178.15 175.73 1wfv h ARG 51 N 0.00 0.00 0.73 2.19 3.08 -1.37 -3.38 114.38 115.64 1wfv h ARG 51 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1wfv h ARG 51 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1wfv h ARG 51 CO 0.00 0.37 -0.35 -0.97 -1.07 0.00 0.00 179.97 177.95 1wfv h ASN 52 N 0.00 -0.83 0.00 7.04 -1.24 0.16 -3.47 115.58 117.24 1wfv h ASN 52 Ca -0.20 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1wfv h ASN 52 Cb 1.73 0.22 0.00 0.00 0.73 0.00 0.00 38.32 41.00 1wfv h ASN 52 CO 0.06 -0.52 0.00 0.61 -1.29 0.00 0.00 177.43 176.29 1wfv n GLY 53 N -1.15 2.73 0.59 1.57 0.00 -1.18 -4.82 105.19 102.94 1wfv n GLY 53 Ca -0.14 -0.66 0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.76 1.61 5.12 -1.26 -4.09 116.66 113.27 1wfv n ARG 54 Ca 0.00 0.98 -0.24 0.00 -1.93 0.00 0.00 57.85 56.66 1wfv n ARG 54 Cb 0.00 -2.20 -0.15 0.00 -1.16 0.00 0.00 32.46 28.95 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 -4.69 1.33 0.26 5.56 0.23 -1.26 -4.94 119.30 115.79 1wfv s MET 55 Ca -0.05 -0.61 0.01 0.00 -1.03 0.00 0.00 55.69 54.01 1wfv s MET 55 Cb 0.24 -1.30 -0.04 0.00 -1.53 0.00 0.00 34.83 32.20 1wfv s MET 55 CO 0.78 0.35 0.12 1.03 -2.03 0.00 0.00 175.02 175.27 1wfv s ARG 56 N -0.45 1.43 -0.03 3.16 3.00 -1.26 -4.79 118.95 120.01 1wfv s ARG 56 Ca 0.06 -1.79 -0.30 0.00 0.00 0.00 0.00 55.73 53.71 1wfv s ARG 56 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 34.95 34.76 1wfv s ARG 56 CO -0.00 -0.37 0.99 0.54 0.00 0.00 0.00 175.30 176.46 1wfv s VAL 57 N -3.78 4.85 0.00 3.52 0.11 -1.26 -3.65 120.40 120.19 1wfv s VAL 57 Ca 0.37 2.05 0.00 0.00 -2.93 0.00 0.00 61.98 61.48 1wfv s VAL 57 Cb 0.07 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 1wfv s VAL 57 CO 0.15 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1wfv n GLY 58 N 2.95 0.93 3.97 6.54 0.00 -1.16 -5.02 105.19 113.40 1wfv n GLY 58 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.30 5.17 -0.27 1.61 1.11 -1.24 -4.91 116.67 116.84 1wfv s ASP 59 Ca 0.00 -0.02 -0.04 0.00 0.18 0.00 0.00 52.55 52.67 1wfv s ASP 59 Cb 0.00 -0.80 0.02 0.00 1.07 0.00 0.00 42.92 43.21 1wfv s ASP 59 CO 0.00 -1.23 0.01 -1.58 1.18 0.00 0.00 175.17 173.54 1wfv s GLN 60 N -4.82 2.91 -0.12 8.23 -0.44 -1.26 -2.92 119.66 121.23 1wfv s GLN 60 Ca 0.58 -0.95 -0.27 0.00 -2.50 0.00 0.00 55.36 52.22 1wfv s GLN 60 Cb -0.10 -3.17 -0.02 0.00 -1.64 0.00 0.00 33.01 28.08 1wfv s GLN 60 CO 0.39 -0.44 0.88 0.42 0.50 0.00 0.00 175.29 177.04 1wfv s ILE 61 N 1.39 4.88 -0.08 -2.34 1.01 0.22 -3.78 121.20 122.49 1wfv s ILE 61 Ca 0.01 1.76 0.17 0.00 0.00 0.00 0.00 60.65 62.59 1wfv s ILE 61 Cb -0.17 -4.19 -0.26 0.00 0.01 0.00 0.00 42.46 37.85 1wfv s ILE 61 CO -0.01 0.06 0.27 2.30 0.00 0.00 0.00 174.94 177.56 1wfv n ILE 62 N 4.47 0.46 -4.08 2.92 -0.00 -0.71 -3.89 119.36 118.53 1wfv n ILE 62 Ca 0.05 -0.54 -0.10 0.00 -0.00 0.00 0.00 62.75 62.15 1wfv n ILE 62 Cb 0.49 -0.17 -0.11 0.00 -0.00 0.00 0.00 39.64 39.86 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 -2.94 0.59 -0.13 6.28 2.12 -1.19 -2.08 118.70 121.36 1wfv s GLU 63 Ca -0.07 -0.98 -0.04 0.00 0.36 0.00 0.00 54.97 54.24 1wfv s GLU 63 Cb 0.09 -0.10 0.06 0.00 0.26 0.00 0.00 34.13 34.44 1wfv s GLU 63 CO 0.74 -0.02 0.14 0.42 -0.54 0.00 0.00 175.26 176.01 1wfv s ILE 64 N -2.50 -0.21 -1.56 -3.70 1.01 -0.43 -1.98 121.20 111.82 1wfv s ILE 64 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1wfv s ILE 64 Cb -0.02 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1wfv s ILE 64 CO -0.03 -0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.46 1wfv n ASN 65 N 5.31 -4.92 -0.14 3.58 3.02 0.17 -1.20 115.26 121.09 1wfv n ASN 65 Ca -0.05 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1wfv n ASN 65 Cb 0.50 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 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 -0.77 0.70 2.91 7.41 0.00 -1.24 -4.98 105.19 109.22 1wfv n GLY 66 Ca -0.20 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.84 0.75 -0.43 1.61 0.41 -0.34 -5.08 118.70 111.78 1wfv s GLU 67 Ca 0.00 -0.13 -0.28 0.00 -0.41 0.00 0.00 54.97 54.15 1wfv s GLU 67 Cb 0.00 -0.75 -0.08 0.00 -1.78 0.00 0.00 34.13 31.52 1wfv s GLU 67 CO 0.00 -0.03 2.35 0.43 -0.49 0.00 0.00 175.26 177.52 1wfv n SER 68 N 3.79 2.45 0.27 -0.19 7.64 -1.26 -1.31 113.62 125.02 1wfv n SER 68 Ca -0.23 -0.15 0.09 0.00 1.01 0.00 0.00 58.87 59.59 1wfv n SER 68 Cb 0.52 -1.50 0.50 0.00 -1.01 0.00 0.00 64.21 62.73 1wfv n SER 68 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wfv h THR 69 N 7.49 0.00 -3.92 0.44 1.35 -1.75 -3.42 112.91 113.11 1wfv h THR 69 Ca -0.28 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.06 1wfv h THR 69 Cb 1.27 0.41 0.07 0.00 -1.73 0.00 0.00 68.15 68.17 1wfv h THR 69 CO 1.10 0.00 0.60 -0.60 -0.25 0.00 0.00 175.52 176.37 1wfv s ARG 70 N -3.78 4.15 -0.79 4.72 3.52 -1.26 -2.77 118.95 122.74 1wfv s ARG 70 Ca -0.02 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1wfv s ARG 70 Cb 0.05 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1wfv s ARG 70 CO 0.17 -0.33 0.00 -0.25 -0.81 0.00 0.00 175.30 174.08 1wfv n ASP 71 N 0.40 -3.38 -4.19 -2.12 8.00 -1.26 -5.02 116.55 108.98 1wfv n ASP 71 Ca 0.02 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.37 1wfv n ASP 71 Cb 0.43 -2.29 -0.14 0.00 -0.02 0.00 0.00 41.12 39.10 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 -3.80 1.16 0.09 -1.24 -1.94 -1.11 -4.99 119.30 107.46 1wfv s MET 72 Ca 0.00 -0.82 -0.03 0.00 -1.71 0.00 0.00 55.69 53.13 1wfv s MET 72 Cb 0.00 -1.21 -0.05 0.00 2.01 0.00 0.00 34.83 35.58 1wfv s MET 72 CO 0.00 0.31 0.29 0.95 -0.01 0.00 0.00 175.02 176.56 1wfv s THR 73 N -0.78 5.27 0.58 2.05 -4.23 -1.26 -0.22 115.64 117.05 1wfv s THR 73 Ca 0.05 -0.09 0.43 0.00 -1.18 0.00 0.00 61.69 60.89 1wfv s THR 73 Cb -0.08 -3.61 0.63 0.00 1.34 0.00 0.00 72.50 70.77 1wfv s THR 73 CO 0.01 0.14 1.48 -0.74 -0.54 0.00 0.00 174.62 174.98 1wfv h HIS 74 N 3.15 0.00 -0.00 3.99 2.76 -1.86 0.86 115.15 124.05 1wfv h HIS 74 Ca -0.46 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1wfv h HIS 74 Cb 1.17 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 1wfv h HIS 74 CO 0.63 0.00 -0.00 0.00 -1.30 0.00 0.00 177.93 177.25 1wfv h ALA 75 N 0.84 0.01 0.39 5.26 0.00 -1.92 -2.90 119.26 120.93 1wfv h ALA 75 Ca 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1wfv h ALA 75 Cb 3.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 21.27 1wfv h ALA 75 CO -0.01 -0.25 -0.49 -0.09 0.00 0.00 0.00 179.25 178.41 1wfv h ARG 76 N -0.47 -0.88 -1.08 0.00 9.65 0.38 -1.36 114.38 120.62 1wfv h ARG 76 Ca 0.00 0.06 0.29 0.00 -1.10 0.00 0.00 59.98 59.23 1wfv h ARG 76 Cb 0.49 0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 29.19 1wfv h ARG 76 CO 0.00 -0.59 0.72 0.00 2.80 0.00 0.00 179.97 182.91 1wfv h ALA 77 N -0.70 2.50 0.00 2.80 0.00 -1.61 0.92 119.26 123.18 1wfv h ALA 77 Ca -0.04 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wfv h ALA 77 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wfv h ALA 77 CO -0.12 -0.90 -0.35 0.82 0.00 0.00 0.00 179.25 178.70 1wfv h ILE 78 N 0.26 1.00 0.00 0.00 1.08 -1.05 -2.65 117.51 116.16 1wfv h ILE 78 Ca 0.59 -1.32 -0.10 0.00 -0.39 0.00 0.00 64.86 63.64 1wfv h ILE 78 Cb 1.76 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 37.26 1wfv h ILE 78 CO -0.22 0.34 -1.12 1.05 -0.69 0.00 0.00 178.15 177.52 1wfv h GLU 79 N 0.00 0.00 -0.19 2.37 4.11 0.14 -3.36 114.58 117.65 1wfv h GLU 79 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1wfv h GLU 79 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1wfv h GLU 79 CO 0.05 0.21 -0.42 -0.07 0.07 0.00 0.00 179.01 178.84 1wfv h LEU 80 N 0.00 0.70 -1.76 3.06 3.38 -0.69 0.30 115.31 120.31 1wfv h LEU 80 Ca -0.09 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.39 1wfv h LEU 80 Cb 1.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1wfv h LEU 80 CO 0.03 1.13 0.29 0.40 0.09 0.00 0.00 178.44 180.38 1wfv h ILE 81 N 0.30 0.94 0.00 1.22 2.04 -1.62 -0.97 117.51 119.41 1wfv h ILE 81 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1wfv h ILE 81 Cb 1.03 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1wfv h ILE 81 CO 0.09 0.05 -1.40 2.29 0.00 0.00 0.00 178.15 179.19 1wfv n LYS 82 N -4.47 0.40 0.09 2.37 2.85 -1.17 -4.20 118.16 114.03 1wfv n LYS 82 Ca 0.06 -0.07 -0.06 0.00 -1.05 0.00 0.00 58.31 57.19 1wfv n LYS 82 Cb 0.28 -1.57 0.07 0.00 -0.65 0.00 0.00 35.03 33.16 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 0.24 -0.43 -5.58 0.87 0.91 -3.23 113.55 106.34 1wfv h SER 83 Ca 0.00 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.25 1wfv h SER 83 Cb 0.81 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1wfv h SER 83 CO 0.00 0.88 -0.32 1.23 -0.53 0.00 0.00 176.83 178.09 1wfv h GLY 84 N 1.68 1.06 0.00 5.77 0.00 -1.51 -3.50 103.07 106.58 1wfv h GLY 84 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.29 1wfv h GLY 84 CO 0.11 0.93 0.00 0.61 0.00 0.00 0.00 176.54 178.19 1wfv n GLY 85 N 0.04 0.25 0.16 4.60 0.00 -1.22 -4.75 105.19 104.28 1wfv n GLY 85 Ca -0.01 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.44 114.38 108.63 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 -0.27 0.00 0.08 0.00 0.00 29.97 29.78 1wfv h ARG 86 CO 0.00 0.22 -0.73 1.03 -1.07 0.00 0.00 179.97 179.42 1wfv s ARG 87 N -3.10 3.39 0.08 0.04 0.52 -1.26 0.15 118.95 118.77 1wfv s ARG 87 Ca 0.04 -0.64 0.09 0.00 -0.52 0.00 0.00 55.73 54.71 1wfv s ARG 87 Cb 0.07 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1wfv s ARG 87 CO 0.73 -0.07 -0.24 0.54 0.02 0.00 0.00 175.30 176.28 1wfv s VAL 88 N 1.12 2.39 -0.09 3.52 0.11 -0.94 -4.84 120.40 121.67 1wfv s VAL 88 Ca 0.01 -1.50 -0.03 0.00 -2.93 0.00 0.00 61.98 57.53 1wfv s VAL 88 Cb -0.15 -2.01 0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1wfv s VAL 88 CO -0.01 0.23 0.09 -0.60 -3.33 0.00 0.00 175.10 171.48 1wfv s ARG 89 N -1.68 -0.01 0.09 1.54 3.52 -1.26 -2.72 118.95 118.42 1wfv s ARG 89 Ca 0.14 0.28 0.07 0.00 -0.13 0.00 0.00 55.73 56.08 1wfv s ARG 89 Cb -0.10 -0.86 -0.03 0.00 -1.56 0.00 0.00 34.95 32.40 1wfv s ARG 89 CO 0.05 -0.43 -0.17 -0.48 -0.81 0.00 0.00 175.30 173.45 1wfv s LEU 90 N 2.19 2.30 -0.41 -0.88 2.34 -1.21 0.46 118.68 123.46 1wfv s LEU 90 Ca 0.04 -0.67 -0.24 0.00 0.06 0.00 0.00 54.13 53.32 1wfv s LEU 90 Cb -0.13 -0.70 0.02 0.00 -0.56 0.00 0.00 46.19 44.82 1wfv s LEU 90 CO -0.05 -0.02 0.82 -0.22 -1.06 0.00 0.00 176.35 175.82 1wfv s LEU 91 N -1.90 4.14 0.16 1.48 0.20 -0.84 -0.51 118.68 121.41 1wfv s LEU 91 Ca 0.03 0.15 0.10 0.00 0.69 0.00 0.00 54.13 55.11 1wfv s LEU 91 Cb -0.09 -3.05 -0.04 0.00 -0.43 0.00 0.00 46.19 42.58 1wfv s LEU 91 CO 0.03 -0.86 -0.24 -0.22 -0.29 0.00 0.00 176.35 174.77 1wfv s LEU 92 N 3.31 2.38 -0.03 -0.68 2.96 -0.24 -1.74 118.68 124.64 1wfv s LEU 92 Ca 0.32 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1wfv s LEU 92 Cb -0.12 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.49 1wfv s LEU 92 CO 0.21 0.11 -0.00 -1.59 -1.32 0.00 0.00 176.35 173.76 1wfv s LYS 93 N -2.38 0.36 0.78 1.98 0.00 -1.25 -2.46 119.74 116.77 1wfv s LYS 93 Ca 0.16 0.06 -0.11 0.00 0.00 0.00 0.00 55.97 56.08 1wfv s LYS 93 Cb -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 37.83 37.28 1wfv s LYS 93 CO 0.07 -0.13 1.08 1.03 0.00 0.00 0.00 175.35 177.40 1wfv s ARG 94 N 1.03 2.25 -0.78 1.78 1.81 -1.26 -4.12 118.95 119.65 1wfv s ARG 94 Ca -0.10 0.91 -0.00 0.00 -1.72 0.00 0.00 55.73 54.82 1wfv s ARG 94 Cb -0.14 -1.92 0.36 0.00 -0.45 0.00 0.00 34.95 32.81 1wfv s ARG 94 CO -0.02 -1.58 1.76 0.41 -0.68 0.00 0.00 175.30 175.20 1wfv n GLY 95 N -1.66 5.71 0.12 -3.53 0.00 -1.26 -4.49 105.19 100.08 1wfv n GLY 95 Ca 0.08 -2.57 0.07 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.45 0.00 -0.06 2.61 5.66 -1.26 -4.54 114.28 116.25 1wfv n THR 96 Ca 0.49 -0.23 -0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1wfv n THR 96 Cb 0.33 1.06 -0.07 0.00 -1.55 0.00 0.00 70.33 70.11 1wfv n THR 96 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1wfv h GLY 97 N 3.33 0.43 -4.53 1.09 0.00 -1.99 -3.42 103.07 97.97 1wfv h GLY 97 Ca 0.00 -0.44 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 1wfv h GLY 97 CO 0.00 0.40 0.74 -0.45 0.00 0.00 0.00 176.54 177.23 1wfv s SER 98 N -6.17 6.79 0.11 0.19 0.15 -1.26 -4.78 113.70 108.73 1wfv s SER 98 Ca -0.14 2.38 0.00 0.00 0.70 0.00 0.00 55.95 58.89 1wfv s SER 98 Cb 0.06 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wfv s SER 98 CO 0.76 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wfv n GLY 99 N 3.45 -2.37 0.00 9.45 0.00 -1.26 -4.31 105.19 110.15 1wfv n GLY 99 Ca 0.11 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.71 0.49 -3.49 1.61 -0.04 -1.26 -4.84 135.00 124.75 1wfv n PRO 100 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1wfv n PRO 100 Cb 0.14 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.20 1wfv n PRO 100 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfv n SER 101 N -0.97 -4.82 -0.12 3.54 3.41 -1.26 -4.93 113.62 108.46 1wfv n SER 101 Ca 0.11 -0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 57.94 1wfv n SER 101 Cb 0.05 -4.89 -0.11 0.00 -0.26 0.00 0.00 64.21 59.00 1wfv n SER 101 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfv n SER 102 N -2.91 1.98 0.00 4.04 2.88 -1.26 -5.19 113.62 113.15 1wfv n SER 102 Ca -0.09 0.14 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1wfv n SER 102 Cb 0.59 -0.67 0.63 0.00 -0.75 0.00 0.00 64.21 64.01 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42