#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 -4.16 -0.12 1.61 7.64 -1.26 -4.85 113.62 112.47 1wfv n SER 2 Ca 0.00 -0.66 -0.12 0.00 1.01 0.00 0.00 58.87 59.10 1wfv n SER 2 Cb 0.00 -3.38 -0.02 0.00 -1.01 0.00 0.00 64.21 59.80 1wfv n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wfv h SER 3 N -1.50 0.78 0.00 6.43 4.64 -2.10 -3.48 113.55 118.31 1wfv h SER 3 Ca -0.52 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 1wfv h SER 3 Cb 1.34 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wfv h SER 3 CO 0.64 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.21 1wfv n GLY 4 N -0.08 3.46 2.47 -0.77 0.00 -1.26 -5.03 105.19 103.98 1wfv n GLY 4 Ca -0.02 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfv n SER 5 N 0.00 7.60 -3.28 1.61 3.41 -1.26 -5.03 113.62 116.67 1wfv n SER 5 Ca 0.00 -3.77 -0.32 0.00 -0.26 0.00 0.00 58.87 54.53 1wfv n SER 5 Cb 0.00 -1.01 -0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1wfv n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfv n SER 6 N -0.74 -2.32 -4.75 4.04 2.88 -1.26 -4.89 113.62 106.58 1wfv n SER 6 Ca 0.59 0.60 -0.37 0.00 -1.33 0.00 0.00 58.87 58.36 1wfv n SER 6 Cb 0.54 -0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.77 2.24 -0.31 0.46 0.00 -1.26 -5.07 107.32 102.62 1wfv s GLY 7 Ca 0.45 -0.44 -0.09 0.00 0.00 0.00 0.00 44.72 44.64 1wfv s GLY 7 CO 0.49 0.33 0.14 1.20 0.00 0.00 0.00 173.10 175.25 1wfv s GLN 8 N 0.16 3.28 0.06 2.90 -1.52 -1.26 -5.09 119.66 118.19 1wfv s GLN 8 Ca 0.17 -0.75 0.02 0.00 -1.95 0.00 0.00 55.36 52.85 1wfv s GLN 8 Cb -0.13 -3.52 -0.04 0.00 -0.22 0.00 0.00 33.01 29.10 1wfv s GLN 8 CO 0.05 -0.42 0.11 0.16 -0.25 0.00 0.00 175.29 174.94 1wfv s ASP 9 N 1.59 5.75 0.07 5.90 -4.77 -1.26 -5.04 116.67 118.90 1wfv s ASP 9 Ca 0.04 0.08 -0.35 0.00 -3.30 0.00 0.00 52.55 49.02 1wfv s ASP 9 Cb -0.17 -1.62 -0.19 0.00 -1.09 0.00 0.00 42.92 39.85 1wfv s ASP 9 CO 0.05 0.19 1.54 -0.26 0.70 0.00 0.00 175.17 177.39 1wfv h PHE 10 N 3.39 -1.27 -0.38 2.11 0.04 -1.92 -3.46 116.94 115.45 1wfv h PHE 10 Ca -0.47 -0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.53 1wfv h PHE 10 Cb 1.17 0.46 -0.24 0.00 2.20 0.00 0.00 35.95 39.54 1wfv h PHE 10 CO 0.61 -0.71 0.29 -0.51 -0.60 0.00 0.00 178.31 177.40 1wfv s ASP 11 N -4.05 -0.32 -1.10 2.17 1.01 -1.26 -4.89 116.67 108.23 1wfv s ASP 11 Ca -0.18 0.31 -0.23 0.00 0.71 0.00 0.00 52.55 53.16 1wfv s ASP 11 Cb 0.03 1.31 -0.08 0.00 1.01 0.00 0.00 42.92 45.19 1wfv s ASP 11 CO 0.57 -0.06 1.94 -0.31 0.21 0.00 0.00 175.17 177.52 1wfv s TYR 12 N 2.59 1.90 0.21 4.23 2.02 -1.26 -4.30 117.35 122.75 1wfv s TYR 12 Ca -0.02 0.54 0.07 0.00 -0.37 0.00 0.00 57.07 57.28 1wfv s TYR 12 Cb -0.06 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.45 1wfv s TYR 12 CO -0.13 -1.36 0.10 -0.59 -1.57 0.00 0.00 175.55 172.00 1wfv s PHE 13 N 10.82 2.98 0.15 2.71 -0.12 -1.15 -4.99 117.98 128.39 1wfv s PHE 13 Ca 0.69 -0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.49 1wfv s PHE 13 Cb -0.03 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.94 1wfv s PHE 13 CO 0.09 0.54 0.25 0.95 -0.05 0.00 0.00 175.22 177.00 1wfv s THR 14 N -1.95 5.17 -0.02 -4.49 -4.23 -1.26 -1.06 115.64 107.80 1wfv s THR 14 Ca 0.31 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1wfv s THR 14 Cb -0.09 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1wfv s THR 14 CO 0.22 -0.08 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.50 1wfv s VAL 15 N -1.73 3.96 -0.23 2.29 1.01 0.36 -4.88 120.40 121.19 1wfv s VAL 15 Ca 0.34 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1wfv s VAL 15 Cb -0.11 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1wfv s VAL 15 CO 0.27 0.44 0.08 -0.62 0.00 0.00 0.00 175.10 175.27 1wfv s ASP 16 N -1.34 3.14 0.34 3.32 2.15 -1.26 -3.29 116.67 119.73 1wfv s ASP 16 Ca 0.17 -1.03 0.06 0.00 0.43 0.00 0.00 52.55 52.18 1wfv s ASP 16 Cb -0.11 -0.53 -0.02 0.00 -0.30 0.00 0.00 42.92 41.96 1wfv s ASP 16 CO 0.07 -0.36 0.34 -0.04 -0.17 0.00 0.00 175.17 175.01 1wfv s MET 17 N 1.91 1.84 0.37 4.34 -1.94 -1.12 -4.99 119.30 119.71 1wfv s MET 17 Ca 0.04 -1.99 0.06 0.00 -1.71 0.00 0.00 55.69 52.08 1wfv s MET 17 Cb -0.17 0.36 -0.07 0.00 2.01 0.00 0.00 34.83 36.96 1wfv s MET 17 CO -0.17 -0.70 0.03 -1.21 -0.01 0.00 0.00 175.02 172.95 1wfv s GLU 18 N -3.28 1.82 0.65 2.03 2.02 -1.26 -2.27 118.70 118.41 1wfv s GLU 18 Ca 0.39 -2.02 -0.13 0.00 0.02 0.00 0.00 54.97 53.23 1wfv s GLU 18 Cb 0.01 -1.31 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 1wfv s GLU 18 CO 0.27 -0.10 1.06 0.21 0.02 0.00 0.00 175.26 176.72 1wfv s LYS 19 N -3.78 3.05 0.00 1.61 2.20 0.45 -4.06 119.74 119.21 1wfv s LYS 19 Ca 0.35 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 1wfv s LYS 19 Cb 0.09 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 1wfv s LYS 19 CO 0.17 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 1wfv n GLY 20 N -1.37 3.41 0.09 5.54 0.00 -1.26 -4.64 105.19 106.96 1wfv n GLY 20 Ca 0.08 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.72 -1.31 4.61 0.00 -1.26 -4.50 120.51 115.77 1wfv n ALA 21 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1wfv n ALA 21 Cb 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 19.45 19.55 1wfv n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wfv n LYS 22 N -4.50 2.23 -0.98 0.00 4.76 -1.26 -4.96 118.16 113.46 1wfv n LYS 22 Ca -0.19 -3.10 0.00 0.00 -2.87 0.00 0.00 58.31 52.15 1wfv n LYS 22 Cb 0.48 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 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 -1.11 -1.91 2.08 0.72 0.00 -1.26 -4.46 105.19 99.24 1wfv n GLY 23 Ca 0.54 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.40 -1.67 -3.62 1.61 3.01 -1.26 -1.43 117.46 114.51 1wfv n PHE 24 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 1wfv n PHE 24 Cb 0.00 -0.91 -0.06 0.00 -0.01 0.00 0.00 39.48 38.50 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 -0.38 -0.14 3.37 1.37 0.00 -1.26 -3.35 105.19 104.80 1wfv n GLY 25 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.42 -0.53 0.42 1.61 -0.12 -0.51 -0.17 117.98 115.26 1wfv s PHE 26 Ca 0.19 1.28 0.07 0.00 -0.05 0.00 0.00 56.93 58.42 1wfv s PHE 26 Cb -0.11 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wfv s PHE 26 CO 0.66 -0.26 0.15 0.45 -0.05 0.00 0.00 175.22 176.18 1wfv s SER 27 N 0.32 4.34 0.28 1.98 0.15 -0.65 -4.90 113.70 115.21 1wfv s SER 27 Ca -0.01 -1.14 0.02 0.00 0.70 0.00 0.00 55.95 55.53 1wfv s SER 27 Cb -0.04 -0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 63.78 1wfv s SER 27 CO -0.00 -0.54 0.08 0.27 1.20 0.00 0.00 173.24 174.25 1wfv s ILE 28 N -2.62 0.74 0.25 6.45 -4.36 -1.26 -1.94 121.20 118.45 1wfv s ILE 28 Ca 0.39 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.69 1wfv s ILE 28 Cb 0.05 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1wfv s ILE 28 CO 0.22 -0.00 0.42 0.00 0.24 0.00 0.00 174.94 175.81 1wfv s ARG 29 N -3.99 1.53 2.16 0.37 1.70 0.31 -4.18 118.95 116.84 1wfv s ARG 29 Ca 0.37 -1.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.26 1wfv s ARG 29 Cb 0.08 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1wfv s ARG 29 CO 0.14 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1wfv n GLY 30 N -0.38 -0.67 0.00 3.88 0.00 -1.26 -1.37 105.19 105.39 1wfv n GLY 30 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 3.39 0.55 -0.02 0.00 0.68 -3.60 105.19 106.19 1wfv n GLY 31 Ca 0.00 -1.87 0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.84 1.61 2.47 -0.71 0.75 114.38 117.67 1wfv h ARG 32 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1wfv h ARG 32 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1wfv h ARG 32 CO 0.00 0.00 0.55 1.49 0.56 0.00 0.00 179.97 182.57 1wfv h GLU 33 N 0.00 1.11 -0.49 0.04 4.22 -1.87 -2.31 114.58 115.28 1wfv h GLU 33 Ca 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.93 1wfv h GLU 33 Cb 2.70 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 31.70 1wfv h GLU 33 CO -0.01 0.75 0.00 0.66 -2.18 0.00 0.00 179.01 178.23 1wfv n TYR 34 N -4.49 1.26 -3.70 0.92 4.01 0.25 -4.95 117.16 110.46 1wfv n TYR 34 Ca 0.09 -0.68 -0.23 0.00 -0.16 0.00 0.00 57.90 56.92 1wfv n TYR 34 Cb 0.02 -0.26 0.04 0.00 -0.31 0.00 0.00 39.34 38.84 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 0.54 -5.57 -3.68 -0.72 4.76 -0.65 -4.88 118.16 107.97 1wfv n LYS 35 Ca 0.23 0.67 -0.10 0.00 -2.87 0.00 0.00 58.31 56.23 1wfv n LYS 35 Cb 0.85 -5.41 -0.05 0.00 -1.84 0.00 0.00 35.03 28.58 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 -6.06 1.03 1.11 1.97 0.23 -1.06 -4.98 119.30 111.53 1wfv s MET 36 Ca 0.20 -0.76 -0.13 0.00 -1.03 0.00 0.00 55.69 53.97 1wfv s MET 36 Cb -0.10 0.45 0.25 0.00 -1.53 0.00 0.00 34.83 33.90 1wfv s MET 36 CO 0.80 -0.39 1.06 -0.51 -2.03 0.00 0.00 175.02 173.94 1wfv s ASP 37 N -2.82 1.56 -0.28 -1.18 1.11 -1.26 -0.23 116.67 113.57 1wfv s ASP 37 Ca 0.03 1.24 -0.15 0.00 0.18 0.00 0.00 52.55 53.86 1wfv s ASP 37 Cb 0.02 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 42.05 1wfv s ASP 37 CO -0.12 -3.80 0.36 -0.76 1.18 0.00 0.00 175.17 172.03 1wfv s LEU 38 N -6.90 4.10 0.37 1.23 1.43 -1.23 -2.68 118.68 115.01 1wfv s LEU 38 Ca 0.67 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 1wfv s LEU 38 Cb -0.21 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1wfv s LEU 38 CO 0.61 -0.21 0.07 -0.31 0.23 0.00 0.00 176.35 176.74 1wfv s TYR 39 N 2.05 2.57 -0.66 0.29 1.51 -0.47 0.63 117.35 123.26 1wfv s TYR 39 Ca 0.14 -0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 1wfv s TYR 39 Cb -0.16 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.06 1wfv s TYR 39 CO 0.10 0.38 1.05 0.08 -1.11 0.00 0.00 175.55 176.06 1wfv s VAL 40 N -2.57 4.16 0.11 0.71 1.01 -1.22 0.11 120.40 122.71 1wfv s VAL 40 Ca 0.37 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 1wfv s VAL 40 Cb 0.03 -4.73 -0.10 0.00 0.00 0.00 0.00 36.38 31.57 1wfv s VAL 40 CO 0.20 -1.52 1.48 0.25 0.00 0.00 0.00 175.10 175.51 1wfv h LEU 41 N 11.78 -1.58 -7.76 3.92 7.12 -1.55 -3.12 115.31 124.12 1wfv h LEU 41 Ca -0.28 0.20 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1wfv h LEU 41 Cb 1.06 0.64 -0.09 0.00 -0.53 0.00 0.00 40.66 41.74 1wfv h LEU 41 CO 1.20 -0.38 0.07 0.00 -0.13 0.00 0.00 178.44 179.20 1wfv s ARG 42 N -5.31 1.48 0.12 1.25 3.03 -1.26 -4.74 118.95 113.53 1wfv s ARG 42 Ca -0.13 -0.91 0.09 0.00 2.03 0.00 0.00 55.73 56.81 1wfv s ARG 42 Cb 0.07 0.54 -0.04 0.00 -1.03 0.00 0.00 34.95 34.49 1wfv s ARG 42 CO 0.53 -0.64 -0.17 -0.51 -1.13 0.00 0.00 175.30 173.38 1wfv s LEU 43 N -2.89 2.76 -0.34 -1.89 1.43 -1.26 -1.63 118.68 114.85 1wfv s LEU 43 Ca 0.10 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 1wfv s LEU 43 Cb -0.02 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1wfv s LEU 43 CO -0.00 0.17 0.73 0.00 0.23 0.00 0.00 176.35 177.49 1wfv s ALA 44 N -1.18 3.48 0.55 4.21 0.00 0.77 -4.92 121.76 124.67 1wfv s ALA 44 Ca 0.19 -0.62 0.26 0.00 0.00 0.00 0.00 51.96 51.79 1wfv s ALA 44 Cb -0.11 -3.27 1.46 0.00 0.00 0.00 0.00 23.12 21.21 1wfv s ALA 44 CO 0.11 -1.31 2.03 1.05 0.00 0.00 0.00 175.76 177.64 1wfv h GLU 45 N 8.32 0.00 -0.26 0.00 -0.00 -1.98 0.55 114.58 121.21 1wfv h GLU 45 Ca -0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 58.99 1wfv h GLU 45 Cb 1.10 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.78 1wfv h GLU 45 CO 0.87 0.00 -0.12 -3.47 -0.00 0.00 0.00 179.01 176.29 1wfv n ASP 46 N -4.17 2.56 -4.82 3.06 2.03 -1.26 -4.92 116.55 109.03 1wfv n ASP 46 Ca 0.06 -3.64 -0.22 0.00 0.52 0.00 0.00 54.79 51.51 1wfv n ASP 46 Cb 0.48 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 40.23 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 -2.58 2.21 0.42 0.27 0.00 0.19 -4.91 107.32 102.92 1wfv s GLY 47 Ca 0.42 -1.97 0.21 0.00 0.00 0.00 0.00 44.72 43.39 1wfv s GLY 47 CO 0.00 -1.78 1.84 -0.56 0.00 0.00 0.00 173.10 172.61 1wfv h PRO 48 N 1.18 0.00 0.18 2.90 0.13 -1.84 -3.22 132.00 131.34 1wfv h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wfv h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.62 0.28 -0.08 0.00 -0.23 0.00 0.00 178.00 178.59 1wfv h ALA 49 N 1.72 -0.74 -0.48 -0.56 0.00 -1.77 -0.16 119.26 117.27 1wfv h ALA 49 Ca -0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1wfv h ALA 49 Cb 0.71 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1wfv h ALA 49 CO 0.04 -0.72 0.78 0.97 0.00 0.00 0.00 179.25 180.32 1wfv h ILE 50 N -0.32 0.11 0.00 0.00 2.10 -1.71 1.39 117.51 119.09 1wfv h ILE 50 Ca -0.02 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.66 1wfv h ILE 50 Cb 0.18 0.32 -0.04 0.00 -1.09 0.00 0.00 36.82 36.19 1wfv h ILE 50 CO 0.04 0.00 -1.49 0.03 -1.08 0.00 0.00 178.15 175.65 1wfv h ARG 51 N 0.00 0.00 0.96 2.19 3.08 -1.53 -3.38 114.38 115.70 1wfv h ARG 51 Ca 0.23 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1wfv h ARG 51 Cb 1.79 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.85 1wfv h ARG 51 CO -0.00 0.61 -0.46 -0.97 -1.07 0.00 0.00 179.97 178.07 1wfv h ASN 52 N 0.00 -1.10 0.00 7.04 -1.24 0.38 -3.47 115.58 117.19 1wfv h ASN 52 Ca -0.20 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1wfv h ASN 52 Cb 1.91 0.28 0.00 0.00 0.73 0.00 0.00 38.32 41.25 1wfv h ASN 52 CO 0.09 -0.77 0.00 0.61 -1.29 0.00 0.00 177.43 176.07 1wfv n GLY 53 N -1.56 2.82 0.50 1.57 0.00 -1.10 -4.83 105.19 102.59 1wfv n GLY 53 Ca -0.16 -0.70 0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.25 1.61 1.74 -1.26 -4.12 116.66 110.37 1wfv n ARG 54 Ca 0.00 0.86 -0.17 0.00 -0.77 0.00 0.00 57.85 57.77 1wfv n ARG 54 Cb 0.00 -1.91 -0.13 0.00 -1.02 0.00 0.00 32.46 29.40 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfv s MET 55 N -4.52 0.72 0.12 5.56 0.23 -1.26 -4.91 119.30 115.24 1wfv s MET 55 Ca -0.04 -0.61 -0.02 0.00 -1.03 0.00 0.00 55.69 53.98 1wfv s MET 55 Cb 0.21 -0.66 -0.03 0.00 -1.53 0.00 0.00 34.83 32.81 1wfv s MET 55 CO 0.67 0.16 0.07 1.03 -2.03 0.00 0.00 175.02 174.93 1wfv s ARG 56 N -0.97 0.90 0.19 3.16 3.00 -1.26 -4.75 118.95 119.21 1wfv s ARG 56 Ca -0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 55.73 54.06 1wfv s ARG 56 Cb -0.07 0.26 -0.09 0.00 0.00 0.00 0.00 34.95 35.05 1wfv s ARG 56 CO 0.01 -0.26 1.33 0.54 0.00 0.00 0.00 175.30 176.92 1wfv s VAL 57 N -4.01 3.20 0.00 3.52 0.11 -1.26 -3.40 120.40 118.56 1wfv s VAL 57 Ca 0.20 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 1wfv s VAL 57 Cb 0.07 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1wfv s VAL 57 CO -0.01 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1wfv n GLY 58 N 2.55 1.17 4.01 6.54 0.00 -1.18 -5.04 105.19 113.23 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 -2.00 4.91 -0.17 1.61 1.11 -1.22 -4.97 116.67 115.94 1wfv s ASP 59 Ca 0.00 -1.02 0.01 0.00 0.18 0.00 0.00 52.55 51.72 1wfv s ASP 59 Cb 0.00 0.48 0.02 0.00 1.07 0.00 0.00 42.92 44.50 1wfv s ASP 59 CO 0.00 -1.37 -0.17 -1.58 1.18 0.00 0.00 175.17 173.23 1wfv s GLN 60 N -4.61 2.64 -0.21 8.23 -0.44 -1.26 -3.43 119.66 120.57 1wfv s GLN 60 Ca 0.55 -0.70 -0.16 0.00 -2.50 0.00 0.00 55.36 52.54 1wfv s GLN 60 Cb -0.04 -2.35 -0.04 0.00 -1.64 0.00 0.00 33.01 28.94 1wfv s GLN 60 CO 0.35 -0.23 0.43 0.42 0.50 0.00 0.00 175.29 176.76 1wfv s ILE 61 N 1.39 5.17 -0.13 -2.34 1.01 0.21 -3.66 121.20 122.84 1wfv s ILE 61 Ca 0.05 0.75 0.18 0.00 0.00 0.00 0.00 60.65 61.63 1wfv s ILE 61 Cb -0.13 -3.75 -0.27 0.00 0.01 0.00 0.00 42.46 38.32 1wfv s ILE 61 CO -0.12 0.21 0.21 2.30 0.00 0.00 0.00 174.94 177.54 1wfv n ILE 62 N 4.54 0.83 -4.15 2.92 -0.00 -0.89 -3.51 119.36 119.10 1wfv n ILE 62 Ca -0.07 -0.69 -0.12 0.00 -0.00 0.00 0.00 62.75 61.87 1wfv n ILE 62 Cb 0.51 -0.30 -0.11 0.00 -0.00 0.00 0.00 39.64 39.74 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 -2.82 0.78 -0.11 6.28 2.12 -1.23 -0.92 118.70 122.81 1wfv s GLU 63 Ca -0.09 -1.17 -0.05 0.00 0.36 0.00 0.00 54.97 54.02 1wfv s GLU 63 Cb 0.08 -0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.20 1wfv s GLU 63 CO 0.81 0.03 0.25 0.42 -0.54 0.00 0.00 175.26 176.23 1wfv s ILE 64 N -2.81 -0.04 -1.62 -3.70 1.01 0.34 -1.80 121.20 112.59 1wfv s ILE 64 Ca 0.06 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.70 1wfv s ILE 64 Cb -0.00 -0.39 0.12 0.00 0.01 0.00 0.00 42.46 42.19 1wfv s ILE 64 CO -0.02 0.06 0.79 0.59 0.00 0.00 0.00 174.94 176.35 1wfv n ASN 65 N 4.22 -3.24 -1.51 3.58 4.13 0.23 0.42 115.26 123.09 1wfv n ASN 65 Ca -0.25 -0.95 -0.14 0.00 1.68 0.00 0.00 54.58 54.92 1wfv n ASN 65 Cb 0.53 -3.10 -0.02 0.00 -1.54 0.00 0.00 39.78 35.66 1wfv n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfv n GLY 66 N -1.56 0.15 2.98 7.41 0.00 -1.25 -5.00 105.19 107.92 1wfv n GLY 66 Ca 0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.39 1.49 0.15 1.61 0.41 0.17 -5.11 118.70 113.03 1wfv s GLU 67 Ca 0.00 -0.33 -0.31 0.00 -0.41 0.00 0.00 54.97 53.92 1wfv s GLU 67 Cb 0.00 -1.30 -0.11 0.00 -1.78 0.00 0.00 34.13 30.95 1wfv s GLU 67 CO 0.00 -0.02 1.81 0.45 -0.49 0.00 0.00 175.26 177.01 1wfv s SER 68 N 0.82 6.40 -0.55 -0.19 0.15 -1.26 -0.50 113.70 118.56 1wfv s SER 68 Ca -0.12 2.80 -0.03 0.00 0.70 0.00 0.00 55.95 59.30 1wfv s SER 68 Cb -0.15 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.73 1wfv s SER 68 CO 0.02 -1.00 2.54 0.35 1.20 0.00 0.00 173.24 176.34 1wfv n THR 69 N 4.55 3.37 -0.09 6.45 -2.24 -0.09 -4.36 114.28 121.87 1wfv n THR 69 Ca 0.17 -3.26 -0.19 0.00 -2.27 0.00 0.00 64.05 58.50 1wfv n THR 69 Cb 0.37 -1.48 -0.12 0.00 -2.10 0.00 0.00 70.33 66.99 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 0.46 0.68 -2.53 -0.78 0.63 -1.26 -4.57 116.66 109.29 1wfv n ARG 70 Ca 0.50 0.18 -0.27 0.00 -0.92 0.00 0.00 57.85 57.33 1wfv n ARG 70 Cb 0.48 -1.57 -0.00 0.00 0.45 0.00 0.00 32.46 31.81 1wfv n ARG 70 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wfv n ASP 71 N -3.33 4.76 -4.12 6.15 2.03 -1.26 -4.85 116.55 115.93 1wfv n ASP 71 Ca -0.42 -3.72 -0.19 0.00 0.52 0.00 0.00 54.79 50.98 1wfv n ASP 71 Cb 1.00 -0.49 -0.13 0.00 -0.72 0.00 0.00 41.12 40.78 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 -3.55 0.86 0.04 -0.67 -1.94 -1.26 -5.03 119.30 107.75 1wfv s MET 72 Ca 0.48 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1wfv s MET 72 Cb 0.38 -0.84 -0.04 0.00 2.01 0.00 0.00 34.83 36.35 1wfv s MET 72 CO -0.19 0.21 0.18 0.95 -0.01 0.00 0.00 175.02 176.16 1wfv s THR 73 N -0.83 5.28 0.36 2.05 -4.23 -1.26 -0.32 115.64 116.68 1wfv s THR 73 Ca 0.00 -0.37 0.30 0.00 -1.18 0.00 0.00 61.69 60.44 1wfv s THR 73 Cb -0.08 -3.53 0.45 0.00 1.34 0.00 0.00 72.50 70.68 1wfv s THR 73 CO 0.01 0.20 1.15 1.57 -0.54 0.00 0.00 174.62 177.01 1wfv n HIS 74 N 0.53 0.30 0.18 3.99 -0.00 -1.24 0.15 115.22 119.13 1wfv n HIS 74 Ca -0.07 0.30 -0.14 0.00 0.46 0.00 0.00 57.72 58.27 1wfv n HIS 74 Cb 0.52 -0.69 -0.08 0.00 -0.12 0.00 0.00 29.99 29.61 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 0.99 -0.45 -0.46 1.57 0.00 -1.92 -2.63 119.26 116.36 1wfv h ALA 75 Ca 0.67 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.51 1wfv h ALA 75 Cb 2.39 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 20.26 1wfv h ALA 75 CO -0.20 -0.63 -0.23 -0.09 0.00 0.00 0.00 179.25 178.10 1wfv h ARG 76 N -0.68 -0.13 -0.58 0.00 9.65 0.95 -0.66 114.38 122.93 1wfv h ARG 76 Ca -0.05 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.95 1wfv h ARG 76 Cb 0.48 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 29.01 1wfv h ARG 76 CO 0.07 -0.08 0.14 0.00 2.80 0.00 0.00 179.97 182.90 1wfv h ALA 77 N 1.15 0.70 0.00 2.80 0.00 -1.51 0.46 119.26 122.86 1wfv h ALA 77 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wfv h ALA 77 Cb 0.47 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wfv h ALA 77 CO -0.54 -0.28 0.00 -0.89 0.00 0.00 0.00 179.25 177.54 1wfv n ILE 78 N -5.10 1.29 -0.08 0.00 2.08 -0.32 -2.24 119.36 115.00 1wfv n ILE 78 Ca 0.08 0.48 -0.21 0.00 0.56 0.00 0.00 62.75 63.66 1wfv n ILE 78 Cb 0.30 -1.42 -0.13 0.00 -0.75 0.00 0.00 39.64 37.64 1wfv n ILE 78 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1wfv n GLU 79 N -1.89 0.68 -0.23 0.38 4.07 0.14 -4.16 120.64 119.63 1wfv n GLU 79 Ca 0.01 0.24 0.01 0.00 -0.06 0.00 0.00 57.16 57.35 1wfv n GLU 79 Cb 0.09 -1.61 0.24 0.00 -0.06 0.00 0.00 31.44 30.09 1wfv n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wfv h LEU 80 N -0.14 0.89 -1.46 4.31 3.38 -0.54 1.24 115.31 122.99 1wfv h LEU 80 Ca -0.51 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1wfv h LEU 80 Cb 1.88 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1wfv h LEU 80 CO -0.06 0.64 0.17 0.40 0.09 0.00 0.00 178.44 179.68 1wfv h ILE 81 N 1.05 1.14 0.00 1.22 2.04 -1.66 -0.31 117.51 120.98 1wfv h ILE 81 Ca 0.29 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1wfv h ILE 81 Cb -0.10 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1wfv h ILE 81 CO -0.07 0.16 -1.55 2.29 0.00 0.00 0.00 178.15 178.98 1wfv n LYS 82 N -4.40 0.50 0.06 2.37 2.85 -0.64 -4.09 118.16 114.80 1wfv n LYS 82 Ca 0.03 -0.09 0.13 0.00 -1.05 0.00 0.00 58.31 57.32 1wfv n LYS 82 Cb 0.13 -1.57 0.33 0.00 -0.65 0.00 0.00 35.03 33.27 1wfv n LYS 82 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wfv n SER 83 N -2.17 0.61 0.03 -5.58 7.64 0.42 -3.76 113.62 110.81 1wfv n SER 83 Ca -0.01 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1wfv n SER 83 Cb 0.51 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 63.30 1wfv n SER 83 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wfv h GLY 84 N 4.65 0.17 0.00 0.23 0.00 -1.22 -3.49 103.07 103.42 1wfv h GLY 84 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1wfv h GLY 84 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1wfv n GLY 85 N 1.65 0.13 0.15 4.60 0.00 -1.25 -4.69 105.19 105.78 1wfv n GLY 85 Ca -0.17 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 -5.21 1.61 3.08 -1.93 -3.45 114.38 108.49 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 -0.27 0.00 0.08 0.00 0.00 29.97 29.78 1wfv h ARG 86 CO 0.00 0.09 -0.75 1.03 -1.07 0.00 0.00 179.97 179.28 1wfv s ARG 87 N -3.21 3.40 0.11 0.04 0.52 -1.26 0.17 118.95 118.71 1wfv s ARG 87 Ca 0.02 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 1wfv s ARG 87 Cb 0.08 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1wfv s ARG 87 CO 0.75 0.08 -0.23 0.54 0.02 0.00 0.00 175.30 176.45 1wfv s VAL 88 N 0.73 1.93 -0.05 3.52 0.11 -0.96 -4.85 120.40 120.83 1wfv s VAL 88 Ca -0.04 -1.60 -0.02 0.00 -2.93 0.00 0.00 61.98 57.39 1wfv s VAL 88 Cb -0.15 -1.73 0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1wfv s VAL 88 CO 0.02 0.03 0.09 -0.60 -3.33 0.00 0.00 175.10 171.31 1wfv s ARG 89 N -1.89 -0.01 0.03 1.54 3.52 -1.26 -2.79 118.95 118.08 1wfv s ARG 89 Ca 0.09 0.36 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 1wfv s ARG 89 Cb -0.10 -0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 32.95 1wfv s ARG 89 CO 0.05 -0.25 -0.06 -0.48 -0.81 0.00 0.00 175.30 173.75 1wfv s LEU 90 N 1.71 2.21 -0.31 -0.88 2.34 -1.21 0.77 118.68 123.32 1wfv s LEU 90 Ca -0.02 -0.46 -0.26 0.00 0.06 0.00 0.00 54.13 53.45 1wfv s LEU 90 Cb -0.12 -0.10 0.01 0.00 -0.56 0.00 0.00 46.19 45.41 1wfv s LEU 90 CO -0.04 -0.19 0.93 -0.22 -1.06 0.00 0.00 176.35 175.76 1wfv s LEU 91 N -1.32 4.03 0.10 1.48 0.20 -0.74 -0.48 118.68 121.94 1wfv s LEU 91 Ca -0.10 0.88 0.04 0.00 0.69 0.00 0.00 54.13 55.64 1wfv s LEU 91 Cb -0.09 -3.30 -0.04 0.00 -0.43 0.00 0.00 46.19 42.33 1wfv s LEU 91 CO -0.00 -0.73 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.00 1wfv s LEU 92 N 3.26 2.39 -0.10 -0.68 2.96 -0.22 -2.10 118.68 124.19 1wfv s LEU 92 Ca 0.39 -0.79 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1wfv s LEU 92 Cb -0.13 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.20 1wfv s LEU 92 CO 0.13 -0.23 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.18 1wfv s LYS 93 N -2.65 2.81 -0.08 1.98 1.02 -1.24 -2.92 119.74 118.66 1wfv s LYS 93 Ca 0.05 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.04 1wfv s LYS 93 Cb -0.04 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1wfv s LYS 93 CO 0.01 0.14 0.57 0.50 -0.92 0.00 0.00 175.35 175.65 1wfv s ARG 94 N 0.43 4.37 -0.02 1.68 3.00 -1.26 -4.34 118.95 122.82 1wfv s ARG 94 Ca -0.17 0.64 -0.05 0.00 -1.00 0.00 0.00 55.73 55.15 1wfv s ARG 94 Cb -0.17 -3.43 -0.22 0.00 0.00 0.00 0.00 34.95 31.13 1wfv s ARG 94 CO 0.07 0.15 3.05 0.41 0.00 0.00 0.00 175.30 178.98 1wfv n GLY 95 N 3.10 2.65 0.10 8.12 0.00 -1.26 -4.13 105.19 113.77 1wfv n GLY 95 Ca -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1wfv n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h THR 96 N 2.20 0.62 -0.82 2.61 1.03 -1.96 -3.35 112.91 113.23 1wfv h THR 96 Ca 0.16 -2.15 -0.51 0.00 -0.01 0.00 0.00 66.41 63.90 1wfv h THR 96 Cb 1.23 2.15 -0.21 0.00 -1.07 0.00 0.00 68.15 70.24 1wfv h THR 96 CO 0.30 0.35 0.65 0.61 -0.01 0.00 0.00 175.52 177.42 1wfv n GLY 97 N 1.40 4.97 3.22 2.99 0.00 -1.26 -4.87 105.19 111.64 1wfv n GLY 97 Ca -0.09 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfv s SER 98 N -0.76 2.88 1.48 1.61 1.04 -1.26 -4.95 113.70 113.75 1wfv s SER 98 Ca 0.49 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1wfv s SER 98 Cb 0.38 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1wfv s SER 98 CO -0.04 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1wfv n GLY 99 N 3.27 2.80 3.75 7.32 0.00 -1.26 -4.71 105.19 116.36 1wfv n GLY 99 Ca -0.19 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 4.42 -0.13 1.61 0.04 -1.26 -4.91 135.00 134.77 1wfv s PRO 100 Ca 0.00 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1wfv s PRO 100 Cb 0.00 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 31.45 1wfv s PRO 100 CO 0.00 -0.16 2.06 0.45 0.04 0.00 0.00 177.00 179.38 1wfv n SER 101 N 1.97 5.81 -3.90 6.66 2.88 -1.26 -4.81 113.62 120.97 1wfv n SER 101 Ca 0.03 -2.68 -0.11 0.00 -1.33 0.00 0.00 58.87 54.78 1wfv n SER 101 Cb 0.43 -1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 62.65 1wfv n SER 101 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfv s SER 102 N 1.26 0.07 0.00 -3.46 0.01 -1.26 -5.18 113.70 105.14 1wfv s SER 102 Ca 0.15 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wfv s SER 102 Cb 0.11 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1wfv s SER 102 CO -0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.16