#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 0.30 -0.72 1.61 0.01 -1.26 -5.07 113.70 108.57 1wfv s SER 2 Ca 0.00 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 1wfv s SER 2 Cb 0.00 -0.06 -0.14 0.00 0.21 0.00 0.00 66.02 66.02 1wfv s SER 2 CO 0.00 0.00 2.44 -1.54 0.41 0.00 0.00 173.24 174.55 1wfv n SER 3 N 3.24 1.42 0.00 2.44 3.41 -1.26 -4.66 113.62 118.21 1wfv n SER 3 Ca -0.15 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1wfv n SER 3 Cb 0.57 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 4 N 6.26 -1.76 3.30 5.00 0.00 -1.26 -5.15 105.19 111.58 1wfv n GLY 4 Ca 0.48 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfv s SER 5 N -1.14 2.43 -0.22 1.61 1.04 -1.26 -5.13 113.70 111.03 1wfv s SER 5 Ca 0.00 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1wfv s SER 5 Cb 0.00 -0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.06 1wfv s SER 5 CO 0.00 -0.07 0.02 -0.44 0.98 0.00 0.00 173.24 173.73 1wfv s SER 6 N -2.57 3.36 -0.35 7.02 0.01 -1.26 -4.95 113.70 114.96 1wfv s SER 6 Ca 0.13 -1.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.05 1wfv s SER 6 Cb -0.05 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.41 1wfv s SER 6 CO 0.05 -0.30 0.50 0.61 0.41 0.00 0.00 173.24 174.51 1wfv n GLY 7 N 4.91 0.10 1.56 3.44 0.00 -1.26 -4.76 105.19 109.18 1wfv n GLY 7 Ca -0.09 0.87 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 1wfv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wfv n GLN 8 N -0.23 1.44 -3.94 1.61 1.13 -1.26 -4.87 117.38 111.26 1wfv n GLN 8 Ca -0.08 -0.95 -0.24 0.00 -1.94 0.00 0.00 57.00 53.80 1wfv n GLN 8 Cb 0.52 -1.37 -0.05 0.00 0.11 0.00 0.00 30.24 29.45 1wfv n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wfv s ASP 9 N 0.57 4.63 -0.00 1.08 1.01 -1.26 -5.05 116.67 117.65 1wfv s ASP 9 Ca 0.18 -1.01 0.06 0.00 0.71 0.00 0.00 52.55 52.49 1wfv s ASP 9 Cb 0.15 -0.38 -0.07 0.00 1.01 0.00 0.00 42.92 43.62 1wfv s ASP 9 CO 0.02 -0.65 0.20 2.22 0.21 0.00 0.00 175.17 177.17 1wfv n PHE 10 N -1.39 0.00 -3.23 4.23 -1.74 -1.26 -4.99 117.46 109.07 1wfv n PHE 10 Ca -0.00 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.93 1wfv n PHE 10 Cb 0.64 -0.05 -0.03 0.00 1.52 0.00 0.00 39.48 41.56 1wfv n PHE 10 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1wfv s ASP 11 N -1.95 -0.46 -0.75 5.98 -1.08 -1.26 -4.91 116.67 112.23 1wfv s ASP 11 Ca 0.01 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.50 1wfv s ASP 11 Cb 0.04 1.45 0.22 0.00 -1.46 0.00 0.00 42.92 43.17 1wfv s ASP 11 CO 0.24 -0.09 0.73 -1.22 0.52 0.00 0.00 175.17 175.34 1wfv n TYR 12 N 5.19 3.53 -4.12 -5.34 4.02 -1.26 -3.65 117.16 115.53 1wfv n TYR 12 Ca -0.07 -4.09 -0.29 0.00 -0.01 0.00 0.00 57.90 53.43 1wfv n TYR 12 Cb 0.54 -0.75 -0.07 0.00 -0.02 0.00 0.00 39.34 39.03 1wfv n TYR 12 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1wfv s PHE 13 N -1.95 3.02 0.34 -0.72 -0.71 -0.88 -4.96 117.98 112.13 1wfv s PHE 13 Ca 0.32 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1wfv s PHE 13 Cb 0.03 -1.53 -0.03 0.00 -1.21 0.00 0.00 43.02 40.28 1wfv s PHE 13 CO -0.08 0.50 0.55 0.95 -1.34 0.00 0.00 175.22 175.80 1wfv s THR 14 N -1.44 5.10 0.11 -4.49 -4.23 -1.26 -0.16 115.64 109.27 1wfv s THR 14 Ca 0.27 -0.43 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1wfv s THR 14 Cb -0.11 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1wfv s THR 14 CO 0.20 -0.55 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.84 1wfv s VAL 15 N -2.31 2.74 -0.10 2.29 1.01 0.13 -4.84 120.40 119.32 1wfv s VAL 15 Ca 0.40 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1wfv s VAL 15 Cb -0.10 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1wfv s VAL 15 CO 0.36 0.12 0.01 -0.62 0.00 0.00 0.00 175.10 174.97 1wfv s ASP 16 N -2.06 1.93 0.27 3.32 2.15 -1.26 -3.40 116.67 117.61 1wfv s ASP 16 Ca 0.17 -0.28 -0.11 0.00 0.43 0.00 0.00 52.55 52.76 1wfv s ASP 16 Cb -0.10 -0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 42.05 1wfv s ASP 16 CO 0.09 -0.23 0.49 -0.04 -0.17 0.00 0.00 175.17 175.31 1wfv s MET 17 N 1.95 1.64 0.43 4.34 -1.94 -1.11 -4.96 119.30 119.66 1wfv s MET 17 Ca 0.03 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1wfv s MET 17 Cb -0.14 0.47 -0.05 0.00 2.01 0.00 0.00 34.83 37.13 1wfv s MET 17 CO -0.06 -0.69 0.03 -1.21 -0.01 0.00 0.00 175.02 173.09 1wfv s GLU 18 N -3.78 1.98 0.45 2.03 2.02 -1.26 -2.02 118.70 118.13 1wfv s GLU 18 Ca 0.23 -2.18 -0.15 0.00 0.02 0.00 0.00 54.97 52.89 1wfv s GLU 18 Cb -0.01 -1.32 -0.08 0.00 0.10 0.00 0.00 34.13 32.82 1wfv s GLU 18 CO 0.11 -0.24 0.89 0.21 0.02 0.00 0.00 175.26 176.25 1wfv s LYS 19 N -3.80 3.94 0.00 1.61 2.20 0.48 -4.32 119.74 119.86 1wfv s LYS 19 Ca 0.24 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1wfv s LYS 19 Cb 0.06 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1wfv s LYS 19 CO 0.12 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1wfv n GLY 20 N -1.24 6.75 0.22 5.54 0.00 -0.23 -4.81 105.19 111.43 1wfv n GLY 20 Ca 0.05 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 0.01 -0.46 4.61 0.00 -1.98 -2.48 119.26 119.95 1wfv h ALA 21 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1wfv h ALA 21 Cb 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1wfv h ALA 21 CO 0.00 -0.59 -0.00 1.63 0.00 0.00 0.00 179.25 180.29 1wfv n LYS 22 N -5.34 1.96 0.00 0.00 4.76 -1.26 -5.07 118.16 113.22 1wfv n LYS 22 Ca -0.00 -3.22 0.00 0.00 -2.87 0.00 0.00 58.31 52.22 1wfv n LYS 22 Cb 0.25 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 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 -2.94 0.23 0.72 0.00 -0.94 -4.49 105.19 96.66 1wfv n GLY 23 Ca 0.38 -2.17 0.09 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 -2.97 1.61 0.04 -1.85 -0.58 116.94 113.18 1wfv h PHE 24 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1wfv h PHE 24 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 1wfv h PHE 24 CO 0.00 0.00 -0.26 0.41 -0.60 0.00 0.00 178.31 177.86 1wfv n GLY 25 N -1.27 0.31 3.36 -1.45 0.00 -1.26 -1.24 105.19 103.63 1wfv n GLY 25 Ca -0.01 -0.31 -0.11 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 -3.12 -0.65 0.27 1.61 -0.12 -1.26 0.86 117.98 115.56 1wfv s PHE 26 Ca 0.12 1.42 0.07 0.00 -0.05 0.00 0.00 56.93 58.49 1wfv s PHE 26 Cb -0.05 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1wfv s PHE 26 CO 0.26 -0.35 0.20 0.45 -0.05 0.00 0.00 175.22 175.73 1wfv s SER 27 N 1.13 5.35 0.35 1.98 0.15 0.42 -4.99 113.70 118.08 1wfv s SER 27 Ca -0.07 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.27 1wfv s SER 27 Cb -0.06 -1.24 -0.07 0.00 -1.71 0.00 0.00 66.02 62.94 1wfv s SER 27 CO -0.10 -0.11 0.04 0.27 1.20 0.00 0.00 173.24 174.54 1wfv s ILE 28 N -2.20 1.45 0.14 6.45 -4.36 -1.26 -0.92 121.20 120.51 1wfv s ILE 28 Ca 0.35 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 1wfv s ILE 28 Cb -0.07 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1wfv s ILE 28 CO 0.25 -0.01 0.31 0.00 0.24 0.00 0.00 174.94 175.73 1wfv s ARG 29 N -3.83 1.09 0.65 0.37 1.70 0.23 -4.25 118.95 114.91 1wfv s ARG 29 Ca 0.36 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1wfv s ARG 29 Cb 0.09 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 1wfv s ARG 29 CO 0.16 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 1wfv n GLY 30 N -0.19 -2.18 0.00 3.88 0.00 -1.26 -0.78 105.19 104.66 1wfv n GLY 30 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.28 1.83 0.08 -0.02 0.00 0.47 -3.48 105.19 103.79 1wfv n GLY 31 Ca 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.59 0.06 0.11 1.61 5.12 0.54 -0.41 116.66 122.10 1wfv n ARG 32 Ca 0.00 0.52 -0.03 0.00 -1.93 0.00 0.00 57.85 56.42 1wfv n ARG 32 Cb 0.00 -1.79 0.04 0.00 -1.16 0.00 0.00 32.46 29.55 1wfv n ARG 32 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1wfv h GLU 33 N 0.00 0.00 -0.05 5.56 5.08 -1.86 -3.27 114.58 120.03 1wfv h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wfv h GLU 33 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wfv h GLU 33 CO 0.00 0.75 0.00 0.66 -1.00 0.00 0.00 179.01 179.42 1wfv n TYR 34 N -3.49 0.06 -3.34 4.33 4.01 0.46 -5.00 117.16 114.18 1wfv n TYR 34 Ca -0.00 -0.35 -0.16 0.00 -0.16 0.00 0.00 57.90 57.23 1wfv n TYR 34 Cb 0.76 -0.03 0.08 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.17 -6.25 -3.75 -0.72 4.76 -0.04 -4.90 118.16 107.09 1wfv n LYS 35 Ca 0.02 0.78 -0.10 0.00 -2.87 0.00 0.00 58.31 56.15 1wfv n LYS 35 Cb 0.21 -5.61 -0.05 0.00 -1.84 0.00 0.00 35.03 27.74 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 -5.35 1.26 1.07 1.97 0.23 -0.95 -4.97 119.30 112.56 1wfv s MET 36 Ca 0.05 -0.88 -0.14 0.00 -1.03 0.00 0.00 55.69 53.70 1wfv s MET 36 Cb -0.02 0.48 0.23 0.00 -1.53 0.00 0.00 34.83 33.99 1wfv s MET 36 CO 0.67 -0.51 1.08 -0.51 -2.03 0.00 0.00 175.02 173.72 1wfv s ASP 37 N -2.87 1.97 -0.32 -1.18 1.11 -1.26 -0.40 116.67 113.72 1wfv s ASP 37 Ca 0.09 1.13 -0.16 0.00 0.18 0.00 0.00 52.55 53.79 1wfv s ASP 37 Cb 0.01 -1.76 -0.02 0.00 1.07 0.00 0.00 42.92 42.22 1wfv s ASP 37 CO -0.05 -3.53 0.42 -0.76 1.18 0.00 0.00 175.17 172.43 1wfv s LEU 38 N -6.70 4.25 0.39 1.23 1.43 -1.24 -3.18 118.68 114.86 1wfv s LEU 38 Ca 0.67 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.89 1wfv s LEU 38 Cb -0.18 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 1wfv s LEU 38 CO 0.59 -0.32 0.06 -0.31 0.23 0.00 0.00 176.35 176.60 1wfv s TYR 39 N 2.16 2.55 -0.56 0.29 1.51 0.04 0.48 117.35 123.82 1wfv s TYR 39 Ca 0.15 -0.56 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 1wfv s TYR 39 Cb -0.16 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1wfv s TYR 39 CO 0.11 0.38 1.10 0.08 -1.11 0.00 0.00 175.55 176.11 1wfv s VAL 40 N -2.61 4.16 0.03 0.71 1.01 -1.21 0.74 120.40 123.23 1wfv s VAL 40 Ca 0.37 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 1wfv s VAL 40 Cb 0.04 -4.65 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 1wfv s VAL 40 CO 0.20 -1.22 1.27 0.25 0.00 0.00 0.00 175.10 175.60 1wfv h LEU 41 N 11.52 -0.59 -7.50 3.92 7.12 -1.21 -3.26 115.31 125.32 1wfv h LEU 41 Ca -0.25 0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.67 1wfv h LEU 41 Cb 1.06 0.16 -0.20 0.00 -0.53 0.00 0.00 40.66 41.16 1wfv h LEU 41 CO 1.14 -0.38 -0.26 -0.60 -0.13 0.00 0.00 178.44 178.22 1wfv s ARG 42 N -4.41 0.70 0.09 1.25 3.00 -1.24 -4.83 118.95 113.51 1wfv s ARG 42 Ca -0.09 -0.21 0.02 0.00 -1.00 0.00 0.00 55.73 54.45 1wfv s ARG 42 Cb 0.01 0.31 -0.04 0.00 0.00 0.00 0.00 34.95 35.23 1wfv s ARG 42 CO 0.29 -0.20 0.16 -0.51 0.00 0.00 0.00 175.30 175.04 1wfv s LEU 43 N -1.39 4.07 -0.36 -0.88 1.43 -1.26 -0.44 118.68 119.84 1wfv s LEU 43 Ca -0.13 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.84 1wfv s LEU 43 Cb -0.05 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1wfv s LEU 43 CO 0.04 0.14 0.78 0.00 0.23 0.00 0.00 176.35 177.54 1wfv s ALA 44 N -1.52 3.43 0.27 4.21 0.00 0.25 -4.93 121.76 123.47 1wfv s ALA 44 Ca 0.32 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1wfv s ALA 44 Cb -0.12 -3.35 0.50 0.00 0.00 0.00 0.00 23.12 20.14 1wfv s ALA 44 CO 0.25 -1.47 1.82 1.05 0.00 0.00 0.00 175.76 177.41 1wfv h GLU 45 N 8.47 0.87 -0.55 0.00 -0.00 -1.98 0.23 114.58 121.61 1wfv h GLU 45 Ca -0.25 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 1wfv h GLU 45 Cb 1.09 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 1wfv h GLU 45 CO 0.91 0.58 0.00 -0.25 -0.00 0.00 0.00 179.01 180.24 1wfv n ASP 46 N -4.68 5.37 -4.98 3.06 9.92 -1.26 -4.87 116.55 119.11 1wfv n ASP 46 Ca 0.17 -2.86 -0.19 0.00 -0.53 0.00 0.00 54.79 51.37 1wfv n ASP 46 Cb 0.33 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.15 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wfv s GLY 47 N -0.95 1.52 0.50 0.44 0.00 0.07 -4.92 107.32 103.98 1wfv s GLY 47 Ca 0.53 -1.42 0.32 0.00 0.00 0.00 0.00 44.72 44.15 1wfv s GLY 47 CO 0.17 -1.36 1.95 -0.56 0.00 0.00 0.00 173.10 173.29 1wfv h PRO 48 N 0.97 0.00 0.34 2.90 0.13 -1.79 -3.24 132.00 131.30 1wfv h PRO 48 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1wfv h PRO 48 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfv h PRO 48 CO 0.55 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.16 1wfv h ALA 49 N 2.05 -0.55 0.00 -0.56 0.00 -1.39 -2.42 119.26 116.39 1wfv h ALA 49 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wfv h ALA 49 Cb 0.46 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wfv h ALA 49 CO 0.00 -0.52 0.42 0.97 0.00 0.00 0.00 179.25 180.12 1wfv h ILE 50 N -0.89 0.00 0.00 0.00 2.10 -1.67 0.84 117.51 117.89 1wfv h ILE 50 Ca -0.05 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 65.70 1wfv h ILE 50 Cb 0.35 0.51 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 1wfv h ILE 50 CO 0.08 0.00 -1.32 0.03 -1.08 0.00 0.00 178.15 175.85 1wfv h ARG 51 N 0.00 0.00 0.55 2.19 3.08 -1.58 -3.37 114.38 115.26 1wfv h ARG 51 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1wfv h ARG 51 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.89 1wfv h ARG 51 CO 0.00 0.45 -0.27 -0.97 -1.07 0.00 0.00 179.97 178.12 1wfv h ASN 52 N 0.00 -0.63 0.00 7.04 -1.24 0.12 -3.47 115.58 117.41 1wfv h ASN 52 Ca -0.16 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1wfv h ASN 52 Cb 1.70 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.91 1wfv h ASN 52 CO 0.07 -0.38 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 1wfv n GLY 53 N -1.12 2.50 0.60 1.57 0.00 -1.18 -4.80 105.19 102.77 1wfv n GLY 53 Ca -0.12 -0.53 0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.74 1.61 5.12 -1.26 -4.02 116.66 113.37 1wfv n ARG 54 Ca 0.00 0.92 -0.24 0.00 -1.93 0.00 0.00 57.85 56.60 1wfv n ARG 54 Cb 0.00 -2.14 -0.16 0.00 -1.16 0.00 0.00 32.46 29.00 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wfv s MET 55 N -4.55 1.43 0.18 5.56 0.23 -1.26 -4.95 119.30 115.93 1wfv s MET 55 Ca -0.04 -0.55 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 1wfv s MET 55 Cb 0.22 -1.32 -0.01 0.00 -1.53 0.00 0.00 34.83 32.19 1wfv s MET 55 CO 0.74 0.28 0.10 0.54 -2.03 0.00 0.00 175.02 174.65 1wfv n ARG 56 N 2.94 0.52 -3.18 3.16 3.00 -1.26 -4.81 116.66 117.03 1wfv n ARG 56 Ca -0.16 -1.59 -0.39 0.00 -0.01 0.00 0.00 57.85 55.70 1wfv n ARG 56 Cb 0.54 1.05 -0.05 0.00 0.00 0.00 0.00 32.46 33.99 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 -2.42 5.06 0.00 1.55 1.01 -1.26 -3.95 120.40 120.40 1wfv s VAL 57 Ca 0.13 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1wfv s VAL 57 Cb 0.01 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1wfv s VAL 57 CO 0.10 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1wfv n GLY 58 N 3.00 0.82 3.93 4.51 0.00 -1.23 -4.86 105.19 111.36 1wfv n GLY 58 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.82 4.58 -0.16 1.61 1.11 -1.25 -4.84 116.67 115.90 1wfv s ASP 59 Ca 0.00 0.43 0.01 0.00 0.18 0.00 0.00 52.55 53.17 1wfv s ASP 59 Cb 0.00 -0.98 0.00 0.00 1.07 0.00 0.00 42.92 43.01 1wfv s ASP 59 CO 0.00 -1.77 -0.18 -1.58 1.18 0.00 0.00 175.17 172.83 1wfv s GLN 60 N -5.35 3.13 -0.27 8.23 -0.44 -1.26 -3.33 119.66 120.38 1wfv s GLN 60 Ca 0.62 -0.79 -0.15 0.00 -2.50 0.00 0.00 55.36 52.54 1wfv s GLN 60 Cb -0.10 -2.57 -0.04 0.00 -1.64 0.00 0.00 33.01 28.67 1wfv s GLN 60 CO 0.46 -0.03 0.38 0.42 0.50 0.00 0.00 175.29 177.02 1wfv s ILE 61 N 0.89 5.17 -0.33 -2.34 1.01 0.18 -2.29 121.20 123.48 1wfv s ILE 61 Ca -0.04 0.57 0.22 0.00 0.00 0.00 0.00 60.65 61.40 1wfv s ILE 61 Cb -0.15 -3.71 -0.26 0.00 0.01 0.00 0.00 42.46 38.36 1wfv s ILE 61 CO -0.02 0.15 0.69 2.30 0.00 0.00 0.00 174.94 178.06 1wfv n ILE 62 N 5.12 0.07 -4.06 2.92 -0.00 -0.17 -3.74 119.36 119.52 1wfv n ILE 62 Ca -0.08 -0.36 -0.08 0.00 -0.00 0.00 0.00 62.75 62.22 1wfv n ILE 62 Cb 0.51 0.22 -0.10 0.00 -0.00 0.00 0.00 39.64 40.26 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 -3.35 0.52 -0.19 6.28 2.12 -1.18 -0.90 118.70 122.00 1wfv s GLU 63 Ca -0.02 -0.99 -0.04 0.00 0.36 0.00 0.00 54.97 54.28 1wfv s GLU 63 Cb 0.14 0.12 0.09 0.00 0.26 0.00 0.00 34.13 34.75 1wfv s GLU 63 CO 0.88 -0.08 0.27 0.42 -0.54 0.00 0.00 175.26 176.22 1wfv s ILE 64 N -2.91 -0.42 -1.34 -3.70 1.01 -0.22 -1.29 121.20 112.33 1wfv s ILE 64 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 1wfv s ILE 64 Cb 0.01 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1wfv s ILE 64 CO -0.06 -0.08 1.02 0.59 0.00 0.00 0.00 174.94 176.41 1wfv n ASN 65 N 5.34 -4.06 -1.84 3.58 3.02 0.13 -1.80 115.26 119.63 1wfv n ASN 65 Ca -0.05 -0.65 -0.15 0.00 -0.03 0.00 0.00 54.58 53.70 1wfv n ASN 65 Cb 0.50 -4.71 0.01 0.00 -0.61 0.00 0.00 39.78 34.96 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 -1.64 -0.20 2.91 7.41 0.00 -1.24 -5.01 105.19 107.43 1wfv n GLY 66 Ca -0.12 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.96 1.22 0.06 1.61 0.41 -0.75 -5.10 118.70 111.19 1wfv s GLU 67 Ca 0.08 -0.19 -0.30 0.00 -0.41 0.00 0.00 54.97 54.14 1wfv s GLU 67 Cb -0.04 -1.22 -0.10 0.00 -1.78 0.00 0.00 34.13 31.00 1wfv s GLU 67 CO 0.10 -0.14 1.94 -1.13 -0.49 0.00 0.00 175.26 175.54 1wfv n SER 68 N 4.41 4.14 -3.82 -0.19 3.41 -1.26 -1.05 113.62 119.25 1wfv n SER 68 Ca -0.18 0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 58.93 1wfv n SER 68 Cb 0.51 -1.53 0.01 0.00 -0.26 0.00 0.00 64.21 62.94 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wfv n THR 69 N 5.32 5.53 -0.05 6.66 -2.24 -0.08 -4.52 114.28 124.92 1wfv n THR 69 Ca 0.20 -5.70 -0.06 0.00 -2.27 0.00 0.00 64.05 56.22 1wfv n THR 69 Cb 0.40 -1.91 -0.07 0.00 -2.10 0.00 0.00 70.33 66.65 1wfv n THR 69 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfv n ARG 70 N 1.08 1.58 -2.61 -0.78 1.85 -1.26 -4.74 116.66 111.78 1wfv n ARG 70 Ca 0.38 0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 57.06 1wfv n ARG 70 Cb 0.30 -1.24 0.01 0.00 -1.05 0.00 0.00 32.46 30.48 1wfv n ARG 70 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1wfv n ASP 71 N -2.56 3.18 -4.25 2.89 5.75 -1.26 -4.92 116.55 115.39 1wfv n ASP 71 Ca -0.18 -3.27 -0.26 0.00 -0.01 0.00 0.00 54.79 51.07 1wfv n ASP 71 Cb 0.78 -0.50 -0.14 0.00 -1.03 0.00 0.00 41.12 40.22 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1wfv s MET 72 N -3.32 1.47 0.10 0.11 -1.94 -1.26 -4.96 119.30 109.50 1wfv s MET 72 Ca 0.39 -0.90 -0.14 0.00 -1.71 0.00 0.00 55.69 53.33 1wfv s MET 72 Cb 0.42 -1.55 -0.06 0.00 2.01 0.00 0.00 34.83 35.64 1wfv s MET 72 CO -0.09 0.40 0.49 0.95 -0.01 0.00 0.00 175.02 176.76 1wfv s THR 73 N -0.73 4.94 0.29 2.05 -4.23 -1.26 -0.34 115.64 116.36 1wfv s THR 73 Ca 0.08 0.77 0.20 0.00 -1.18 0.00 0.00 61.69 61.56 1wfv s THR 73 Cb -0.09 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.35 1wfv s THR 73 CO 0.01 0.34 1.11 1.57 -0.54 0.00 0.00 174.62 177.11 1wfv n HIS 74 N 1.09 0.61 0.23 3.99 -0.00 -1.23 0.15 115.22 120.07 1wfv n HIS 74 Ca -0.08 0.61 -0.15 0.00 0.46 0.00 0.00 57.72 58.56 1wfv n HIS 74 Cb 0.52 -1.02 -0.08 0.00 -0.12 0.00 0.00 29.99 29.28 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 1.22 -0.51 -0.49 1.57 0.00 -1.92 -2.34 119.26 116.79 1wfv h ALA 75 Ca 0.62 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.51 1wfv h ALA 75 Cb 1.87 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.75 1wfv h ALA 75 CO -0.40 -0.79 -0.23 -0.09 0.00 0.00 0.00 179.25 177.74 1wfv h ARG 76 N -0.51 -0.11 -0.29 0.00 9.65 0.11 -1.22 114.38 122.00 1wfv h ARG 76 Ca -0.05 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.90 1wfv h ARG 76 Cb 0.39 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.93 1wfv h ARG 76 CO 0.09 -0.08 -0.13 0.00 2.80 0.00 0.00 179.97 182.65 1wfv h ALA 77 N 1.20 0.11 0.00 2.80 0.00 -1.39 0.29 119.26 122.26 1wfv h ALA 77 Ca 0.23 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1wfv h ALA 77 Cb 0.48 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wfv h ALA 77 CO -0.57 -0.53 0.10 -0.89 0.00 0.00 0.00 179.25 177.37 1wfv n ILE 78 N -5.30 0.93 -0.07 0.00 2.08 -0.51 -1.39 119.36 115.09 1wfv n ILE 78 Ca -0.00 0.73 -0.21 0.00 0.56 0.00 0.00 62.75 63.83 1wfv n ILE 78 Cb 0.22 -1.73 -0.13 0.00 -0.75 0.00 0.00 39.64 37.25 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 -2.14 0.68 -0.14 0.38 4.07 0.83 -4.13 120.64 120.19 1wfv n GLU 79 Ca -0.01 0.25 0.03 0.00 -0.06 0.00 0.00 57.16 57.36 1wfv n GLU 79 Cb 0.13 -1.62 0.32 0.00 -0.06 0.00 0.00 31.44 30.21 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 -0.17 0.70 -1.19 4.31 3.38 0.19 0.88 115.31 123.41 1wfv h LEU 80 Ca -0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1wfv h LEU 80 Cb 1.87 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1wfv h LEU 80 CO -0.06 0.50 0.18 0.40 0.09 0.00 0.00 178.44 179.55 1wfv h ILE 81 N 0.82 1.20 0.00 1.22 2.04 -1.59 -1.24 117.51 119.96 1wfv h ILE 81 Ca 0.24 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1wfv h ILE 81 Cb -0.04 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1wfv h ILE 81 CO -0.06 0.25 -0.94 2.29 0.00 0.00 0.00 178.15 179.69 1wfv n LYS 82 N -4.33 0.10 0.06 2.37 2.85 -0.65 -4.13 118.16 114.43 1wfv n LYS 82 Ca 0.04 -0.01 -0.04 0.00 -1.05 0.00 0.00 58.31 57.24 1wfv n LYS 82 Cb 0.17 -1.52 -0.09 0.00 -0.65 0.00 0.00 35.03 32.95 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 0.00 -0.03 -5.58 0.87 0.13 -3.32 113.55 105.61 1wfv h SER 83 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1wfv h SER 83 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1wfv h SER 83 CO 0.00 0.84 -0.60 1.23 -0.53 0.00 0.00 176.83 177.77 1wfv h GLY 84 N 3.31 0.70 0.00 5.77 0.00 -1.40 -3.50 103.07 107.94 1wfv h GLY 84 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1wfv h GLY 84 CO 0.09 0.76 0.00 0.61 0.00 0.00 0.00 176.54 178.01 1wfv n GLY 85 N 0.37 0.21 0.14 4.60 0.00 -1.25 -4.72 105.19 104.54 1wfv n GLY 85 Ca -0.04 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.93 -3.45 114.38 108.59 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 -0.29 0.00 0.08 0.00 0.00 29.97 29.76 1wfv h ARG 86 CO 0.00 0.13 -0.76 1.03 -1.07 0.00 0.00 179.97 179.30 1wfv s ARG 87 N -3.18 3.30 0.03 0.04 0.52 -1.26 0.18 118.95 118.58 1wfv s ARG 87 Ca 0.01 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 1wfv s ARG 87 Cb 0.08 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1wfv s ARG 87 CO 0.76 -0.08 -0.24 0.54 0.02 0.00 0.00 175.30 176.30 1wfv s VAL 88 N 1.12 2.34 -0.15 3.52 0.11 -0.86 -4.85 120.40 121.63 1wfv s VAL 88 Ca 0.01 -1.27 -0.03 0.00 -2.93 0.00 0.00 61.98 57.76 1wfv s VAL 88 Cb -0.14 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 1wfv s VAL 88 CO -0.03 0.40 0.05 -0.60 -3.33 0.00 0.00 175.10 171.60 1wfv s ARG 89 N -1.18 0.35 0.19 1.54 3.52 -1.26 -2.75 118.95 119.36 1wfv s ARG 89 Ca 0.12 -0.14 0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1wfv s ARG 89 Cb -0.10 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.56 1wfv s ARG 89 CO 0.02 -0.57 -0.22 -0.48 -0.81 0.00 0.00 175.30 173.24 1wfv s LEU 90 N 2.01 2.43 -0.42 -0.88 2.34 -1.22 0.21 118.68 123.16 1wfv s LEU 90 Ca 0.02 -0.87 -0.21 0.00 0.06 0.00 0.00 54.13 53.13 1wfv s LEU 90 Cb -0.15 -1.08 0.02 0.00 -0.56 0.00 0.00 46.19 44.42 1wfv s LEU 90 CO -0.07 0.08 0.65 -0.22 -1.06 0.00 0.00 176.35 175.73 1wfv s LEU 91 N -2.67 4.42 0.21 1.48 0.20 -0.41 0.17 118.68 122.08 1wfv s LEU 91 Ca 0.19 -0.20 0.10 0.00 0.69 0.00 0.00 54.13 54.92 1wfv s LEU 91 Cb -0.07 -2.76 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 1wfv s LEU 91 CO 0.09 -0.75 -0.16 -0.22 -0.29 0.00 0.00 176.35 175.03 1wfv s LEU 92 N 2.84 2.72 -0.17 -0.68 2.96 0.77 -1.00 118.68 126.13 1wfv s LEU 92 Ca 0.24 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1wfv s LEU 92 Cb -0.14 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1wfv s LEU 92 CO 0.18 0.09 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.75 1wfv s LYS 93 N -2.99 3.71 0.27 1.98 1.02 -0.97 -2.06 119.74 120.70 1wfv s LYS 93 Ca 0.25 -0.49 0.10 0.00 0.02 0.00 0.00 55.97 55.85 1wfv s LYS 93 Cb -0.07 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1wfv s LYS 93 CO 0.14 0.20 -0.03 0.50 -0.92 0.00 0.00 175.35 175.23 1wfv s ARG 94 N 0.50 2.19 0.00 1.68 6.06 -1.26 -4.21 118.95 123.90 1wfv s ARG 94 Ca -0.02 -1.49 0.00 0.00 -2.50 0.00 0.00 55.73 51.72 1wfv s ARG 94 Cb -0.14 -2.09 0.00 0.00 0.06 0.00 0.00 34.95 32.78 1wfv s ARG 94 CO 0.02 0.35 0.00 0.41 -2.50 0.00 0.00 175.30 173.58 1wfv n GLY 95 N -0.86 0.39 0.13 8.12 0.00 -1.26 -4.51 105.19 107.21 1wfv n GLY 95 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.88 -3.01 2.61 1.03 -1.97 -3.51 112.91 108.95 1wfv h THR 96 Ca 0.00 -2.54 0.29 0.00 -0.01 0.00 0.00 66.41 64.15 1wfv h THR 96 Cb 0.00 2.66 -0.14 0.00 -1.07 0.00 0.00 68.15 69.60 1wfv h THR 96 CO 0.00 0.83 -0.94 0.61 -0.01 0.00 0.00 175.52 176.02 1wfv n GLY 97 N 1.83 -2.50 3.62 2.99 0.00 -1.26 -5.03 105.19 104.85 1wfv n GLY 97 Ca -0.24 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -6.69 -0.46 0.42 1.61 1.04 -1.26 -5.02 113.70 103.33 1wfv s SER 98 Ca 0.00 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.20 1wfv s SER 98 Cb 0.00 1.23 -0.05 0.00 0.10 0.00 0.00 66.02 67.30 1wfv s SER 98 CO 0.00 -0.11 0.04 -0.83 0.98 0.00 0.00 173.24 173.31 1wfv s GLY 99 N 1.42 2.55 -0.86 7.32 0.00 -1.26 -5.00 107.32 111.50 1wfv s GLY 99 Ca -0.08 -1.59 -0.25 0.00 0.00 0.00 0.00 44.72 42.80 1wfv s GLY 99 CO -0.15 -2.02 1.93 2.56 0.00 0.00 0.00 173.10 175.43 1wfv s PRO 100 N -3.80 2.56 -0.64 2.90 0.04 -1.26 -4.92 135.00 129.90 1wfv s PRO 100 Ca 0.26 -0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 1wfv s PRO 100 Cb 0.06 -4.96 0.16 0.00 0.04 0.00 0.00 34.50 29.80 1wfv s PRO 100 CO 0.13 -3.28 0.52 -1.54 0.04 0.00 0.00 177.00 172.87 1wfv s SER 101 N 8.05 5.95 0.26 6.66 1.04 -1.26 -5.05 113.70 129.34 1wfv s SER 101 Ca 0.70 -2.42 0.12 0.00 0.48 0.00 0.00 55.95 54.82 1wfv s SER 101 Cb -0.08 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1wfv s SER 101 CO 0.02 -0.58 -0.21 -0.94 0.98 0.00 0.00 173.24 172.52 1wfv s SER 102 N 2.02 3.55 0.00 7.02 1.04 -1.26 -5.32 113.70 120.75 1wfv s SER 102 Ca 0.13 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1wfv s SER 102 Cb -0.20 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1wfv s SER 102 CO -0.04 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.85