#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 -1.30 -4.73 1.61 7.64 -1.26 -4.91 113.62 110.67 1wfv n SER 2 Ca 0.00 -1.24 -0.24 0.00 1.01 0.00 0.00 58.87 58.41 1wfv n SER 2 Cb 0.00 -1.70 -0.06 0.00 -1.01 0.00 0.00 64.21 61.44 1wfv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfv s SER 3 N -3.52 5.07 -0.75 6.43 0.15 -1.26 -5.02 113.70 114.81 1wfv s SER 3 Ca 0.64 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.65 1wfv s SER 3 Cb -0.37 -1.16 -0.11 0.00 -1.71 0.00 0.00 66.02 62.67 1wfv s SER 3 CO 1.01 0.02 2.32 -0.83 1.20 0.00 0.00 173.24 176.96 1wfv s GLY 4 N -3.47 -0.57 -0.25 9.45 0.00 -1.26 -4.85 107.32 106.37 1wfv s GLY 4 Ca 0.31 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 44.14 1wfv s GLY 4 CO 0.22 4.08 0.61 -1.35 0.00 0.00 0.00 173.10 176.65 1wfv s SER 5 N 10.60 -0.82 -0.07 1.64 1.04 -1.26 -5.12 113.70 119.70 1wfv s SER 5 Ca 0.89 1.34 -0.31 0.00 0.48 0.00 0.00 55.95 58.35 1wfv s SER 5 Cb -0.13 1.24 -0.09 0.00 0.10 0.00 0.00 66.02 67.15 1wfv s SER 5 CO 0.10 -0.23 2.04 -0.24 0.98 0.00 0.00 173.24 175.89 1wfv n SER 6 N 4.35 3.70 -2.90 7.02 2.88 -1.26 -4.90 113.62 122.52 1wfv n SER 6 Ca -0.21 0.71 -0.02 0.00 -1.33 0.00 0.00 58.87 58.03 1wfv n SER 6 Cb 0.57 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.55 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 5.54 -1.36 -0.22 0.46 0.00 -1.26 -5.00 107.32 105.48 1wfv s GLY 7 Ca 0.94 0.03 0.13 0.00 0.00 0.00 0.00 44.72 45.82 1wfv s GLY 7 CO 0.43 3.78 1.19 -1.06 0.00 0.00 0.00 173.10 177.44 1wfv n GLN 8 N 3.45 2.15 -3.07 2.90 6.02 -1.26 -5.04 117.38 122.53 1wfv n GLN 8 Ca 0.14 -3.49 -0.40 0.00 -0.01 0.00 0.00 57.00 53.24 1wfv n GLN 8 Cb 0.58 -1.66 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 1wfv n GLN 8 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wfv s ASP 9 N -3.28 6.83 0.08 1.08 1.47 -1.26 -4.99 116.67 116.60 1wfv s ASP 9 Ca 0.41 1.01 -0.29 0.00 1.18 0.00 0.00 52.55 54.87 1wfv s ASP 9 Cb 0.38 -2.38 -0.13 0.00 -0.34 0.00 0.00 42.92 40.45 1wfv s ASP 9 CO -0.04 -0.22 1.45 -0.26 0.68 0.00 0.00 175.17 176.78 1wfv h PHE 10 N 7.14 -1.20 -1.52 2.11 0.04 -1.96 -3.44 116.94 118.11 1wfv h PHE 10 Ca -0.35 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.56 1wfv h PHE 10 Cb 1.16 0.49 -0.23 0.00 2.20 0.00 0.00 35.95 39.58 1wfv h PHE 10 CO 0.68 -0.52 0.09 0.34 -0.60 0.00 0.00 178.31 178.31 1wfv s ASP 11 N -4.10 -0.82 -1.09 2.17 -1.08 -1.26 -5.00 116.67 105.49 1wfv s ASP 11 Ca -0.14 1.15 -0.16 0.00 -0.52 0.00 0.00 52.55 52.89 1wfv s ASP 11 Cb 0.04 1.83 0.16 0.00 -1.46 0.00 0.00 42.92 43.49 1wfv s ASP 11 CO 0.49 -0.16 1.29 -0.31 0.52 0.00 0.00 175.17 176.99 1wfv s TYR 12 N 2.43 3.38 0.26 -5.34 2.02 -1.26 -3.80 117.35 115.03 1wfv s TYR 12 Ca -0.05 -1.86 0.08 0.00 -0.37 0.00 0.00 57.07 54.87 1wfv s TYR 12 Cb -0.08 -4.28 -0.04 0.00 -0.40 0.00 0.00 41.96 37.17 1wfv s TYR 12 CO -0.18 -1.41 0.14 -0.59 -1.57 0.00 0.00 175.55 171.94 1wfv s PHE 13 N 1.89 3.00 0.25 2.71 -0.71 -1.15 -5.00 117.98 118.97 1wfv s PHE 13 Ca 0.38 -0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.19 1wfv s PHE 13 Cb -0.04 -1.34 -0.03 0.00 -1.21 0.00 0.00 43.02 40.39 1wfv s PHE 13 CO -0.04 0.55 0.29 0.95 -1.34 0.00 0.00 175.22 175.63 1wfv s THR 14 N -2.19 4.87 0.06 -4.49 -4.23 -1.26 -1.44 115.64 106.96 1wfv s THR 14 Ca 0.32 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1wfv s THR 14 Cb -0.07 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1wfv s THR 14 CO 0.24 -0.33 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.09 1wfv s VAL 15 N -2.05 2.66 -0.13 2.29 1.01 0.09 -4.86 120.40 119.41 1wfv s VAL 15 Ca 0.34 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1wfv s VAL 15 Cb -0.08 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1wfv s VAL 15 CO 0.27 0.28 0.03 -0.62 0.00 0.00 0.00 175.10 175.06 1wfv s ASP 16 N -1.57 2.18 0.14 3.32 -1.08 -1.26 -3.41 116.67 114.97 1wfv s ASP 16 Ca 0.15 -0.43 -0.11 0.00 -0.52 0.00 0.00 52.55 51.64 1wfv s ASP 16 Cb -0.10 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 40.90 1wfv s ASP 16 CO 0.06 -0.26 0.29 -0.04 0.52 0.00 0.00 175.17 175.74 1wfv s MET 17 N 1.96 1.06 0.48 4.34 1.00 -1.15 -4.97 119.30 122.02 1wfv s MET 17 Ca 0.02 -1.00 0.04 0.00 0.00 0.00 0.00 55.69 54.76 1wfv s MET 17 Cb -0.15 0.39 -0.02 0.00 0.00 0.00 0.00 34.83 35.06 1wfv s MET 17 CO -0.07 -0.39 0.13 -1.21 0.00 0.00 0.00 175.02 173.49 1wfv s GLU 18 N -3.90 2.18 0.73 2.03 2.02 -1.26 -2.03 118.70 118.48 1wfv s GLU 18 Ca 0.10 -2.14 -0.11 0.00 0.02 0.00 0.00 54.97 52.84 1wfv s GLU 18 Cb 0.03 -1.78 0.03 0.00 0.10 0.00 0.00 34.13 32.51 1wfv s GLU 18 CO -0.06 -0.32 1.07 0.21 0.02 0.00 0.00 175.26 176.19 1wfv s LYS 19 N -3.95 2.66 0.00 1.61 2.47 0.29 -4.47 119.74 118.35 1wfv s LYS 19 Ca 0.24 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.52 1wfv s LYS 19 Cb 0.03 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1wfv s LYS 19 CO 0.14 -1.27 0.00 0.41 0.16 0.00 0.00 175.35 174.79 1wfv n GLY 20 N -2.00 5.29 0.32 5.54 0.00 0.46 -4.85 105.19 109.94 1wfv n GLY 20 Ca 0.07 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 1wfv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h ALA 21 N 1.00 -0.76 -0.41 4.61 0.00 -1.98 -3.22 119.26 118.50 1wfv h ALA 21 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1wfv h ALA 21 Cb 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 1wfv h ALA 21 CO 0.00 -0.91 -0.07 1.63 0.00 0.00 0.00 179.25 179.90 1wfv n LYS 22 N -5.41 1.94 0.00 0.00 4.76 -1.26 -5.07 118.16 113.12 1wfv n LYS 22 Ca -0.12 -3.24 0.00 0.00 -2.87 0.00 0.00 58.31 52.07 1wfv n LYS 22 Cb 0.32 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 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 -0.57 0.25 0.72 0.00 -1.22 -4.56 105.19 98.71 1wfv n GLY 23 Ca 0.36 -2.20 0.17 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.15 1.61 0.04 -1.89 0.13 116.94 113.68 1wfv h PHE 24 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1wfv h PHE 24 Cb 0.00 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.21 1wfv h PHE 24 CO 0.00 0.00 -0.30 0.41 -0.60 0.00 0.00 178.31 177.82 1wfv n GLY 25 N -1.15 0.27 3.37 -1.45 0.00 -1.26 -0.75 105.19 104.22 1wfv n GLY 25 Ca -0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.14 -0.52 0.42 1.61 -0.12 -1.26 0.29 117.98 115.26 1wfv s PHE 26 Ca 0.19 1.26 0.07 0.00 -0.05 0.00 0.00 56.93 58.40 1wfv s PHE 26 Cb -0.09 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.43 1wfv s PHE 26 CO 0.31 -0.26 0.14 0.45 -0.05 0.00 0.00 175.22 175.81 1wfv s SER 27 N 0.22 4.29 0.25 1.98 0.15 -0.04 -5.01 113.70 115.53 1wfv s SER 27 Ca -0.00 -1.17 0.01 0.00 0.70 0.00 0.00 55.95 55.49 1wfv s SER 27 Cb -0.03 -0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 63.82 1wfv s SER 27 CO 0.01 -0.54 0.10 0.27 1.20 0.00 0.00 173.24 174.27 1wfv s ILE 28 N -2.64 0.49 0.24 6.45 -4.36 -1.26 -2.04 121.20 118.08 1wfv s ILE 28 Ca 0.38 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.71 1wfv s ILE 28 Cb 0.05 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1wfv s ILE 28 CO 0.21 -0.01 0.33 0.00 0.24 0.00 0.00 174.94 175.70 1wfv s ARG 29 N -4.05 1.45 1.32 0.37 1.70 0.30 -4.22 118.95 115.82 1wfv s ARG 29 Ca 0.38 -1.49 0.00 0.00 -0.47 0.00 0.00 55.73 54.15 1wfv s ARG 29 Cb 0.08 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1wfv s ARG 29 CO 0.13 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.21 1wfv n GLY 30 N -0.36 -1.47 0.00 3.88 0.00 -1.26 -1.65 105.19 104.32 1wfv n GLY 30 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.84 2.08 0.16 -0.02 0.00 0.20 -3.82 105.19 102.95 1wfv n GLY 31 Ca 0.00 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.24 1wfv n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 32 N -1.93 0.12 0.07 1.61 5.12 -0.19 -0.56 116.66 120.91 1wfv n ARG 32 Ca 0.00 0.61 -0.10 0.00 -1.93 0.00 0.00 57.85 56.42 1wfv n ARG 32 Cb 0.00 -2.01 -0.01 0.00 -1.16 0.00 0.00 32.46 29.28 1wfv n ARG 32 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1wfv h GLU 33 N 0.00 0.30 -0.33 5.56 4.81 -1.88 -3.24 114.58 119.80 1wfv h GLU 33 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1wfv h GLU 33 Cb 0.25 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1wfv h GLU 33 CO 0.00 1.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.94 1wfv n TYR 34 N -3.72 0.67 -3.64 0.92 4.01 0.28 -4.98 117.16 110.71 1wfv n TYR 34 Ca -0.05 -0.63 -0.21 0.00 -0.16 0.00 0.00 57.90 56.85 1wfv n TYR 34 Cb 0.80 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 39.75 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 0.21 -5.56 -3.68 -0.72 4.01 -0.44 -4.87 118.16 107.10 1wfv n LYS 35 Ca 0.16 0.69 -0.10 0.00 -0.51 0.00 0.00 58.31 58.54 1wfv n LYS 35 Cb 0.60 -5.42 -0.04 0.00 -0.51 0.00 0.00 35.03 29.66 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 -5.86 1.16 1.09 1.97 0.23 -0.85 -4.98 119.30 112.06 1wfv s MET 36 Ca 0.07 -0.78 -0.13 0.00 -1.03 0.00 0.00 55.69 53.82 1wfv s MET 36 Cb -0.03 0.48 0.24 0.00 -1.53 0.00 0.00 34.83 33.98 1wfv s MET 36 CO 0.79 -0.46 1.07 -0.51 -2.03 0.00 0.00 175.02 173.87 1wfv s ASP 37 N -2.83 1.73 -0.30 -1.18 1.11 -1.26 -0.63 116.67 113.30 1wfv s ASP 37 Ca 0.06 1.22 -0.13 0.00 0.18 0.00 0.00 52.55 53.87 1wfv s ASP 37 Cb 0.01 -1.89 -0.03 0.00 1.07 0.00 0.00 42.92 42.08 1wfv s ASP 37 CO -0.09 -3.69 0.29 -0.76 1.18 0.00 0.00 175.17 172.10 1wfv s LEU 38 N -6.82 4.22 0.39 1.23 1.43 -1.23 -2.95 118.68 114.95 1wfv s LEU 38 Ca 0.67 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.78 1wfv s LEU 38 Cb -0.20 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 1wfv s LEU 38 CO 0.60 -0.19 0.05 -0.31 0.23 0.00 0.00 176.35 176.73 1wfv s TYR 39 N 1.90 2.54 -0.49 0.29 1.51 -0.66 0.79 117.35 123.23 1wfv s TYR 39 Ca 0.10 -0.58 -0.28 0.00 -1.01 0.00 0.00 57.07 55.30 1wfv s TYR 39 Cb -0.16 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1wfv s TYR 39 CO 0.11 0.39 1.08 0.08 -1.11 0.00 0.00 175.55 176.09 1wfv s VAL 40 N -2.63 4.26 0.05 0.71 1.01 -1.23 0.11 120.40 122.69 1wfv s VAL 40 Ca 0.37 1.01 -0.35 0.00 0.00 0.00 0.00 61.98 63.01 1wfv s VAL 40 Cb 0.05 -4.57 -0.19 0.00 0.00 0.00 0.00 36.38 31.67 1wfv s VAL 40 CO 0.20 -1.01 1.48 0.25 0.00 0.00 0.00 175.10 176.02 1wfv h LEU 41 N 11.12 -1.02 -7.12 3.92 7.12 -1.58 -2.75 115.31 125.00 1wfv h LEU 41 Ca -0.24 0.03 -0.07 0.00 0.13 0.00 0.00 57.88 57.74 1wfv h LEU 41 Cb 1.06 0.26 -0.19 0.00 -0.53 0.00 0.00 40.66 41.27 1wfv h LEU 41 CO 1.11 -0.70 0.08 -0.60 -0.13 0.00 0.00 178.44 178.20 1wfv s ARG 42 N -5.72 0.99 0.10 1.25 3.00 -1.26 -4.75 118.95 112.56 1wfv s ARG 42 Ca -0.18 0.08 0.03 0.00 -1.00 0.00 0.00 55.73 54.66 1wfv s ARG 42 Cb 0.02 0.46 -0.04 0.00 0.00 0.00 0.00 34.95 35.39 1wfv s ARG 42 CO 0.57 -0.32 0.09 -0.51 0.00 0.00 0.00 175.30 175.14 1wfv s LEU 43 N -1.38 3.81 -0.30 -0.88 1.43 -1.26 -0.86 118.68 119.24 1wfv s LEU 43 Ca -0.10 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1wfv s LEU 43 Cb -0.01 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1wfv s LEU 43 CO 0.07 0.15 0.77 0.00 0.23 0.00 0.00 176.35 177.56 1wfv s ALA 44 N -1.47 3.55 0.42 4.21 0.00 0.15 -4.91 121.76 123.70 1wfv s ALA 44 Ca 0.30 -0.42 0.40 0.00 0.00 0.00 0.00 51.96 52.23 1wfv s ALA 44 Cb -0.12 -3.26 2.03 0.00 0.00 0.00 0.00 23.12 21.77 1wfv s ALA 44 CO 0.22 -1.14 2.20 1.05 0.00 0.00 0.00 175.76 178.09 1wfv h GLU 45 N 8.07 0.00 -0.05 0.00 4.11 -1.98 -1.41 114.58 123.32 1wfv h GLU 45 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.18 1wfv h GLU 45 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wfv h GLU 45 CO 0.87 0.00 -0.08 -3.47 0.07 0.00 0.00 179.01 176.39 1wfv n ASP 46 N -2.99 2.45 -4.81 3.06 2.03 -1.26 -4.97 116.55 110.05 1wfv n ASP 46 Ca -0.02 -3.24 -0.22 0.00 0.52 0.00 0.00 54.79 51.83 1wfv n ASP 46 Cb 0.13 -0.47 -0.05 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 -2.80 2.12 0.41 0.27 0.00 -0.53 -4.80 107.32 101.99 1wfv s GLY 47 Ca 0.35 -1.91 0.20 0.00 0.00 0.00 0.00 44.72 43.36 1wfv s GLY 47 CO 0.02 -1.75 1.83 -0.56 0.00 0.00 0.00 173.10 172.64 1wfv h PRO 48 N 1.24 0.00 0.45 2.90 0.13 -1.78 -3.24 132.00 131.71 1wfv h PRO 48 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1wfv h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.62 0.30 -0.22 0.00 -0.23 0.00 0.00 178.00 178.47 1wfv h ALA 49 N 1.70 -1.02 -0.44 -0.56 0.00 -1.16 -1.09 119.26 116.69 1wfv h ALA 49 Ca -0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1wfv h ALA 49 Cb 0.72 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1wfv h ALA 49 CO 0.04 -0.98 0.64 0.97 0.00 0.00 0.00 179.25 179.93 1wfv h ILE 50 N -0.69 0.18 0.00 0.00 2.10 -1.70 0.94 117.51 118.35 1wfv h ILE 50 Ca -0.06 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.65 1wfv h ILE 50 Cb 0.47 0.45 -0.03 0.00 -1.09 0.00 0.00 36.82 36.61 1wfv h ILE 50 CO 0.10 0.00 -1.17 0.03 -1.08 0.00 0.00 178.15 176.03 1wfv h ARG 51 N 0.00 0.00 0.93 2.19 3.08 -1.52 -3.36 114.38 115.70 1wfv h ARG 51 Ca 0.21 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1wfv h ARG 51 Cb 1.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.55 1wfv h ARG 51 CO -0.00 0.88 -0.47 -0.97 -1.07 0.00 0.00 179.97 178.33 1wfv h ASN 52 N 0.00 -1.14 0.00 7.04 -1.24 0.23 -3.47 115.58 116.99 1wfv h ASN 52 Ca -0.08 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1wfv h ASN 52 Cb 1.83 0.31 0.00 0.00 0.73 0.00 0.00 38.32 41.19 1wfv h ASN 52 CO 0.12 -0.78 0.00 0.61 -1.29 0.00 0.00 177.43 176.09 1wfv n GLY 53 N -1.64 2.78 0.46 1.57 0.00 -1.17 -4.83 105.19 102.35 1wfv n GLY 53 Ca -0.16 -0.68 0.35 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 -4.47 1.61 1.74 -1.26 -4.07 116.66 110.20 1wfv n ARG 54 Ca 0.00 0.82 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 1wfv n ARG 54 Cb 0.00 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 29.50 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 -4.49 1.07 0.17 5.56 0.23 -1.26 -4.94 119.30 115.64 1wfv s MET 55 Ca -0.04 -0.75 0.03 0.00 -1.03 0.00 0.00 55.69 53.90 1wfv s MET 55 Cb 0.20 -1.09 -0.01 0.00 -1.53 0.00 0.00 34.83 32.41 1wfv s MET 55 CO 0.63 0.28 0.09 0.54 -2.03 0.00 0.00 175.02 174.52 1wfv n ARG 56 N 2.05 0.52 -3.12 3.16 3.00 -1.26 -4.82 116.66 116.20 1wfv n ARG 56 Ca -0.17 -1.51 -0.39 0.00 -0.01 0.00 0.00 57.85 55.77 1wfv n ARG 56 Cb 0.54 1.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.94 1wfv n ARG 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wfv s VAL 57 N -2.39 4.54 0.00 1.55 1.01 -1.26 -3.83 120.40 120.03 1wfv s VAL 57 Ca 0.13 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1wfv s VAL 57 Cb 0.01 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1wfv s VAL 57 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1wfv n GLY 58 N 1.55 2.48 3.05 4.51 0.00 -1.04 -5.00 105.19 110.75 1wfv n GLY 58 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.42 -4.06 1.61 8.00 -1.25 -4.79 116.55 112.64 1wfv n ASP 59 Ca 0.00 -0.91 -0.30 0.00 0.71 0.00 0.00 54.79 54.28 1wfv n ASP 59 Cb 0.00 -0.93 -0.16 0.00 -0.02 0.00 0.00 41.12 40.01 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 -5.06 2.47 -0.16 -1.24 -0.44 -1.26 -3.49 119.66 110.48 1wfv s GLN 60 Ca 0.64 -0.63 -0.13 0.00 -2.50 0.00 0.00 55.36 52.73 1wfv s GLN 60 Cb -0.10 -2.17 -0.05 0.00 -1.64 0.00 0.00 33.01 29.05 1wfv s GLN 60 CO 0.52 -0.18 0.27 0.42 0.50 0.00 0.00 175.29 176.83 1wfv s ILE 61 N 1.29 5.32 -0.12 -2.34 1.01 0.24 -1.92 121.20 124.66 1wfv s ILE 61 Ca 0.01 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1wfv s ILE 61 Cb -0.14 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1wfv s ILE 61 CO -0.08 0.40 0.16 2.30 0.00 0.00 0.00 174.94 177.71 1wfv n ILE 62 N 3.55 0.00 -4.00 2.92 -0.00 0.25 -3.53 119.36 118.56 1wfv n ILE 62 Ca -0.12 -0.26 -0.09 0.00 -0.00 0.00 0.00 62.75 62.28 1wfv n ILE 62 Cb 0.52 0.71 -0.11 0.00 -0.00 0.00 0.00 39.64 40.76 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 -1.88 0.37 -0.22 6.28 2.12 -1.17 -3.59 118.70 120.61 1wfv s GLU 63 Ca 0.00 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 1wfv s GLU 63 Cb 0.03 0.08 0.11 0.00 0.26 0.00 0.00 34.13 34.61 1wfv s GLU 63 CO 0.20 -0.05 0.30 0.42 -0.54 0.00 0.00 175.26 175.59 1wfv s ILE 64 N -1.74 -0.46 -1.87 -3.70 1.01 -1.21 -1.59 121.20 111.65 1wfv s ILE 64 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1wfv s ILE 64 Cb -0.08 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1wfv s ILE 64 CO -0.02 -0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.36 1wfv n ASN 65 N 5.34 -5.56 -0.48 3.58 3.02 0.22 -1.78 115.26 119.60 1wfv n ASN 65 Ca -0.05 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.68 1wfv n ASN 65 Cb 0.50 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 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 -0.76 0.80 3.38 7.41 0.00 -1.26 -5.01 105.19 109.75 1wfv n GLY 66 Ca -0.22 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.83 1.41 -1.35 1.61 0.41 -0.74 -5.06 118.70 110.15 1wfv s GLU 67 Ca 0.01 -1.55 -0.15 0.00 -0.41 0.00 0.00 54.97 52.88 1wfv s GLU 67 Cb -0.01 -1.43 0.08 0.00 -1.78 0.00 0.00 34.13 31.00 1wfv s GLU 67 CO 0.02 0.28 1.92 0.43 -0.49 0.00 0.00 175.26 177.41 1wfv n SER 68 N -0.09 4.56 -0.56 -0.19 7.64 -1.26 -3.30 113.62 120.43 1wfv n SER 68 Ca -0.10 -2.92 0.46 0.00 1.01 0.00 0.00 58.87 57.32 1wfv n SER 68 Cb 0.58 -1.66 0.71 0.00 -1.01 0.00 0.00 64.21 62.84 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 4.58 0.01 -0.78 0.44 1.35 -1.92 0.55 112.91 117.14 1wfv h THR 69 Ca 0.48 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.48 1wfv h THR 69 Cb 0.74 0.01 -0.10 0.00 -1.73 0.00 0.00 68.15 67.08 1wfv h THR 69 CO 1.63 0.00 0.33 0.08 -0.25 0.00 0.00 175.52 177.32 1wfv h ARG 70 N 0.00 0.46 -1.93 4.72 0.11 -1.87 -1.81 114.38 114.06 1wfv h ARG 70 Ca 0.80 -0.03 -0.72 0.00 0.10 0.00 0.00 59.98 60.13 1wfv h ARG 70 Cb 3.51 -0.10 -0.31 0.00 1.11 0.00 0.00 29.97 34.17 1wfv h ARG 70 CO -0.01 0.31 0.53 -0.25 0.10 0.00 0.00 179.97 180.65 1wfv n ASP 71 N -4.98 6.66 -3.82 0.08 9.92 0.19 -4.76 116.55 119.84 1wfv n ASP 71 Ca 0.15 -3.78 -0.12 0.00 -0.53 0.00 0.00 54.79 50.51 1wfv n ASP 71 Cb 0.44 -0.91 -0.11 0.00 -0.64 0.00 0.00 41.12 39.90 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1wfv s MET 72 N -3.95 0.41 0.37 -1.24 -1.94 -0.68 -4.98 119.30 107.29 1wfv s MET 72 Ca 0.49 -0.03 -0.03 0.00 -1.71 0.00 0.00 55.69 54.41 1wfv s MET 72 Cb 0.39 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 37.37 1wfv s MET 72 CO -0.31 -0.09 0.62 0.95 -0.01 0.00 0.00 175.02 176.19 1wfv s THR 73 N -0.67 5.01 0.48 2.05 -4.23 -1.26 -1.02 115.64 116.00 1wfv s THR 73 Ca -0.08 -0.08 0.29 0.00 -1.18 0.00 0.00 61.69 60.65 1wfv s THR 73 Cb -0.04 -3.82 0.48 0.00 1.34 0.00 0.00 72.50 70.46 1wfv s THR 73 CO 0.01 -0.56 1.79 -0.74 -0.54 0.00 0.00 174.62 174.58 1wfv h HIS 74 N 0.92 0.27 0.00 3.99 2.76 -1.86 0.59 115.15 121.83 1wfv h HIS 74 Ca -0.48 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1wfv h HIS 74 Cb 1.20 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1wfv h HIS 74 CO 0.55 0.02 -0.00 0.00 -1.30 0.00 0.00 177.93 177.20 1wfv h ALA 75 N 1.51 -0.00 0.28 5.26 0.00 -1.93 -2.87 119.26 121.51 1wfv h ALA 75 Ca 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1wfv h ALA 75 Cb 1.94 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1wfv h ALA 75 CO -0.13 -0.38 -0.43 -0.09 0.00 0.00 0.00 179.25 178.22 1wfv h ARG 76 N -0.24 -0.72 -1.37 0.00 9.65 -1.26 -0.65 114.38 119.79 1wfv h ARG 76 Ca -0.00 0.05 0.40 0.00 -1.10 0.00 0.00 59.98 59.33 1wfv h ARG 76 Cb 0.24 0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 1wfv h ARG 76 CO 0.00 -0.48 1.00 0.00 2.80 0.00 0.00 179.97 183.29 1wfv h ALA 77 N -0.92 3.30 0.01 2.80 0.00 -1.55 1.32 119.26 124.22 1wfv h ALA 77 Ca -0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1wfv h ALA 77 Cb 0.68 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1wfv h ALA 77 CO -0.13 -1.71 -0.88 0.82 0.00 0.00 0.00 179.25 177.35 1wfv h ILE 78 N 0.00 1.58 0.00 0.00 1.08 -0.92 -3.07 117.51 116.17 1wfv h ILE 78 Ca 0.65 -2.86 -0.08 0.00 -0.39 0.00 0.00 64.86 62.18 1wfv h ILE 78 Cb 2.64 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 38.95 1wfv h ILE 78 CO -0.01 0.82 -0.76 1.05 -0.69 0.00 0.00 178.15 178.57 1wfv h GLU 79 N 0.03 0.00 -0.25 2.37 4.11 0.27 -3.33 114.58 117.78 1wfv h GLU 79 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 1wfv h GLU 79 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1wfv h GLU 79 CO 0.12 0.24 -0.49 -0.07 0.07 0.00 0.00 179.01 178.88 1wfv h LEU 80 N 0.00 0.86 -1.89 3.06 3.38 -0.65 0.19 115.31 120.26 1wfv h LEU 80 Ca -0.04 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.39 1wfv h LEU 80 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1wfv h LEU 80 CO 0.03 1.24 0.08 0.40 0.09 0.00 0.00 178.44 180.29 1wfv h ILE 81 N 0.51 1.02 0.00 1.22 2.04 -1.65 -0.36 117.51 120.30 1wfv h ILE 81 Ca 0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1wfv h ILE 81 Cb 1.10 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1wfv h ILE 81 CO 0.11 0.03 -1.25 2.29 0.00 0.00 0.00 178.15 179.33 1wfv n LYS 82 N -4.52 0.29 0.06 2.37 2.85 -1.16 -4.14 118.16 113.91 1wfv n LYS 82 Ca -0.01 -0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 1wfv n LYS 82 Cb 0.09 -1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 32.80 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 0.14 -0.32 -5.58 0.87 0.49 -3.33 113.55 105.82 1wfv h SER 83 Ca 0.00 -0.17 -0.15 0.00 -1.23 0.00 0.00 61.79 60.24 1wfv h SER 83 Cb 0.73 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1wfv h SER 83 CO 0.00 1.14 -0.38 1.23 -0.53 0.00 0.00 176.83 178.29 1wfv h GLY 84 N 2.58 0.90 0.00 5.77 0.00 -1.28 -3.50 103.07 107.54 1wfv h GLY 84 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.27 1wfv h GLY 84 CO 0.14 0.86 0.00 0.61 0.00 0.00 0.00 176.54 178.15 1wfv n GLY 85 N 0.21 0.45 0.04 4.60 0.00 -1.25 -4.77 105.19 104.47 1wfv n GLY 85 Ca -0.03 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.97 1wfv n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 86 N 0.00 0.65 -4.01 1.61 1.74 -1.26 -4.74 116.66 110.65 1wfv n ARG 86 Ca 0.00 -0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.63 1wfv n ARG 86 Cb 0.00 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 29.72 1wfv n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wfv s ARG 87 N -3.32 3.54 0.03 5.56 0.52 -1.26 0.11 118.95 124.13 1wfv s ARG 87 Ca -0.07 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1wfv s ARG 87 Cb 0.12 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1wfv s ARG 87 CO 0.87 -0.07 -0.22 0.54 0.02 0.00 0.00 175.30 176.45 1wfv s VAL 88 N 1.20 1.74 -0.13 3.52 0.11 -0.86 -4.88 120.40 121.10 1wfv s VAL 88 Ca 0.03 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.89 1wfv s VAL 88 Cb -0.15 -1.49 0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1wfv s VAL 88 CO 0.01 0.28 0.03 -0.60 -3.33 0.00 0.00 175.10 171.49 1wfv s ARG 89 N -1.05 0.52 0.10 1.54 3.52 -1.26 -2.95 118.95 119.38 1wfv s ARG 89 Ca 0.08 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.67 1wfv s ARG 89 Cb -0.09 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1wfv s ARG 89 CO 0.01 -0.47 -0.20 -0.48 -0.81 0.00 0.00 175.30 173.36 1wfv s LEU 90 N 1.96 2.29 -0.40 -0.88 2.34 -1.22 -0.61 118.68 122.17 1wfv s LEU 90 Ca 0.03 -0.67 -0.24 0.00 0.06 0.00 0.00 54.13 53.31 1wfv s LEU 90 Cb -0.14 -0.83 0.02 0.00 -0.56 0.00 0.00 46.19 44.67 1wfv s LEU 90 CO -0.07 0.04 0.82 -0.22 -1.06 0.00 0.00 176.35 175.86 1wfv s LEU 91 N -1.86 4.12 0.27 1.48 0.20 -0.62 -0.73 118.68 121.54 1wfv s LEU 91 Ca 0.05 0.24 0.12 0.00 0.69 0.00 0.00 54.13 55.22 1wfv s LEU 91 Cb -0.10 -3.06 -0.05 0.00 -0.43 0.00 0.00 46.19 42.55 1wfv s LEU 91 CO 0.04 -0.84 -0.18 -0.22 -0.29 0.00 0.00 176.35 174.86 1wfv s LEU 92 N 3.28 2.63 -0.19 -0.68 2.96 -0.52 -0.58 118.68 125.59 1wfv s LEU 92 Ca 0.33 -0.97 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 1wfv s LEU 92 Cb -0.12 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1wfv s LEU 92 CO 0.20 0.05 0.07 -0.54 -1.32 0.00 0.00 176.35 174.80 1wfv s LYS 93 N -3.41 3.95 -0.26 1.98 -0.14 -0.81 -2.93 119.74 118.11 1wfv s LYS 93 Ca 0.29 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.45 1wfv s LYS 93 Cb -0.06 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1wfv s LYS 93 CO 0.15 0.21 0.15 0.50 -0.76 0.00 0.00 175.35 175.60 1wfv s ARG 94 N 0.54 3.92 -1.19 1.68 3.00 -1.25 -4.28 118.95 121.38 1wfv s ARG 94 Ca 0.03 -0.34 -0.12 0.00 -1.00 0.00 0.00 55.73 54.30 1wfv s ARG 94 Cb -0.13 -3.53 0.20 0.00 0.00 0.00 0.00 34.95 31.49 1wfv s ARG 94 CO 0.01 -0.09 1.37 0.41 0.00 0.00 0.00 175.30 177.00 1wfv n GLY 95 N 4.74 3.72 0.08 8.12 0.00 -1.26 -4.46 105.19 116.12 1wfv n GLY 95 Ca -0.15 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 3.93 0.61 -4.03 2.61 5.66 -1.26 -4.54 114.28 117.25 1wfv n THR 96 Ca 0.33 -0.02 -0.31 0.00 -3.05 0.00 0.00 64.05 61.00 1wfv n THR 96 Cb 0.41 -0.79 -0.15 0.00 -1.55 0.00 0.00 70.33 68.25 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 -3.40 1.66 -0.48 1.09 0.00 -1.26 -4.98 107.32 99.95 1wfv s GLY 97 Ca 0.09 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 42.92 1wfv s GLY 97 CO 0.48 0.75 2.03 1.44 0.00 0.00 0.00 173.10 177.80 1wfv n SER 98 N 4.43 7.05 0.00 1.64 7.64 -1.26 -4.93 113.62 128.19 1wfv n SER 98 Ca -0.10 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1wfv n SER 98 Cb 0.42 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfv n GLY 99 N -0.25 3.62 2.85 0.23 0.00 -1.26 -5.12 105.19 105.26 1wfv n GLY 99 Ca 0.45 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.18 -2.75 0.16 1.61 -0.04 -1.26 -5.00 135.00 126.54 1wfv n PRO 100 Ca 0.00 -1.43 -0.12 0.00 -0.04 0.00 0.00 63.50 61.91 1wfv n PRO 100 Cb 0.00 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1wfv n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfv h SER 101 N -2.41 -0.37 -1.18 3.54 0.87 -2.04 -3.41 113.55 108.54 1wfv h SER 101 Ca -0.34 -0.17 -0.51 0.00 -1.23 0.00 0.00 61.79 59.54 1wfv h SER 101 Cb 1.02 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1wfv h SER 101 CO 0.22 0.04 1.62 -1.20 -0.53 0.00 0.00 176.83 176.99 1wfv n SER 102 N -5.11 1.89 0.00 6.23 7.64 -1.26 -5.28 113.62 117.73 1wfv n SER 102 Ca -0.09 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1wfv n SER 102 Cb 0.27 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64