#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.48 118.16 117.47 2wdj n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdj n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdj n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 3 N 0.00 0.80 0.00 0.72 0.00 -1.26 -3.81 105.19 101.64 2wdj n GLY 3 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2wdj n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wdj n ILE 4 N 0.00 0.00 -4.58 -0.61 0.13 -1.20 -4.81 119.36 108.28 2wdj n ILE 4 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 2wdj n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 38.69 2wdj n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wdj s LEU 5 N 0.00 2.85 0.00 9.51 1.43 -1.26 -2.78 118.68 128.43 2wdj s LEU 5 Ca 0.00 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 2wdj s LEU 5 Cb 0.00 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2wdj s LEU 5 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2wdj n GLY 6 N -0.93 0.96 3.65 -3.19 0.00 -0.74 -4.11 105.19 100.83 2wdj n GLY 6 Ca -0.05 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 2wdj n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdj s VAL 7 N -2.00 4.62 0.05 1.61 -7.23 -0.98 -0.54 120.40 115.94 2wdj s VAL 7 Ca 0.00 -0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 2wdj s VAL 7 Cb 0.00 -3.04 -0.07 0.00 0.56 0.00 0.00 36.38 33.83 2wdj s VAL 7 CO 0.00 0.51 1.50 -0.75 -0.31 0.00 0.00 175.10 176.05 2wdj s LYS 8 N -0.02 4.25 -0.14 4.82 2.20 -0.55 -2.20 119.74 128.10 2wdj s LYS 8 Ca 0.05 2.14 0.14 0.00 -0.36 0.00 0.00 55.97 57.95 2wdj s LYS 8 Cb -0.12 -3.52 -0.20 0.00 -1.51 0.00 0.00 37.83 32.47 2wdj s LYS 8 CO 0.01 -0.62 0.09 1.55 -0.36 0.00 0.00 175.35 176.03 2wdj n VAL 9 N 4.56 0.96 -1.26 4.02 3.14 -0.73 0.15 118.33 129.17 2wdj n VAL 9 Ca 0.14 -0.64 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2wdj n VAL 9 Cb 0.42 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 2wdj n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wdj n GLY 10 N 1.96 -1.14 3.28 7.55 0.00 -1.21 -4.71 105.19 110.92 2wdj n GLY 10 Ca -0.23 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 2wdj n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wdj s MET 11 N -1.82 0.93 0.00 1.61 0.23 -1.26 0.56 119.30 119.55 2wdj s MET 11 Ca 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 55.69 54.04 2wdj s MET 11 Cb 0.00 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 2wdj s MET 11 CO 0.00 -0.33 0.00 0.25 -2.03 0.00 0.00 175.02 172.91 2wdj n THR 12 N 0.17 0.00 -4.32 3.16 -2.24 0.10 -4.97 114.28 106.18 2wdj n THR 12 Ca -0.17 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 2wdj n THR 12 Cb 0.62 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 2wdj n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdj s ARG 13 N -0.69 1.24 0.23 -0.78 1.70 -1.26 0.57 118.95 119.96 2wdj s ARG 13 Ca 0.00 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 2wdj s ARG 13 Cb 0.00 -1.03 -0.05 0.00 -0.57 0.00 0.00 34.95 33.31 2wdj s ARG 13 CO 0.00 0.17 0.11 0.96 -1.08 0.00 0.00 175.30 175.47 2wdj s ILE 14 N -2.86 0.28 -0.18 4.99 -4.36 -0.74 -4.93 121.20 113.40 2wdj s ILE 14 Ca 0.19 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.53 2wdj s ILE 14 Cb -0.01 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 2wdj s ILE 14 CO 0.05 0.00 0.02 -0.36 0.24 0.00 0.00 174.94 174.89 2wdj s PHE 15 N -3.95 3.13 -0.23 1.37 0.08 -1.26 -0.69 117.98 116.43 2wdj s PHE 15 Ca 0.38 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.28 2wdj s PHE 15 Cb 0.07 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 2wdj s PHE 15 CO 0.13 -0.00 -0.05 1.03 -0.10 0.00 0.00 175.22 176.23 2wdj s ARG 16 N 0.55 1.59 0.00 0.44 0.52 -1.20 -4.83 118.95 116.01 2wdj s ARG 16 Ca 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2wdj s ARG 16 Cb -0.14 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2wdj s ARG 16 CO 0.02 -0.59 0.00 -3.47 0.02 0.00 0.00 175.30 171.28 2wdj n ASP 17 N 4.70 0.00 0.00 0.23 4.64 -1.26 -2.85 116.55 122.01 2wdj n ASP 17 Ca -0.12 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.29 2wdj n ASP 17 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.52 2wdj n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wdj n ASP 18 N 3.20 0.00 -3.92 1.67 8.00 -1.26 -5.13 116.55 119.10 2wdj n ASP 18 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 2wdj n ASP 18 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 2wdj n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdj s ARG 19 N 0.00 1.56 0.21 -1.24 1.70 -1.13 -5.11 118.95 114.94 2wdj s ARG 19 Ca 0.00 -0.27 -0.32 0.00 -0.47 0.00 0.00 55.73 54.66 2wdj s ARG 19 Cb 0.00 -1.58 -0.13 0.00 -0.57 0.00 0.00 34.95 32.67 2wdj s ARG 19 CO 0.00 -0.24 1.64 0.00 -1.08 0.00 0.00 175.30 175.61 2wdj n ALA 20 N 4.84 2.20 -3.01 7.88 0.00 -1.26 -3.26 120.51 127.90 2wdj n ALA 20 Ca -0.14 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 2wdj n ALA 20 Cb 0.50 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.35 2wdj n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wdj s VAL 21 N 0.82 1.71 0.01 0.00 -7.23 0.13 -4.96 120.40 110.88 2wdj s VAL 21 Ca 0.74 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2wdj s VAL 21 Cb -0.57 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2wdj s VAL 21 CO 0.38 0.48 1.18 -2.16 -0.31 0.00 0.00 175.10 174.67 2wdj s PRO 22 N 0.14 4.41 -0.08 4.82 0.04 -1.26 -1.79 135.00 141.29 2wdj s PRO 22 Ca -0.09 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2wdj s PRO 22 Cb -0.14 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 30.97 2wdj s PRO 22 CO 0.04 -0.31 -0.11 0.14 0.04 0.00 0.00 177.00 176.80 2wdj s VAL 23 N 1.54 1.09 -0.21 -0.36 -7.23 0.19 -1.94 120.40 113.48 2wdj s VAL 23 Ca 0.57 -0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 2wdj s VAL 23 Cb -0.27 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2wdj s VAL 23 CO 0.26 0.35 0.20 0.28 -0.31 0.00 0.00 175.10 175.88 2wdj s THR 24 N 0.90 5.35 -0.13 5.32 -1.32 -0.79 -0.72 115.64 124.25 2wdj s THR 24 Ca -0.10 0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.48 2wdj s THR 24 Cb -0.15 -3.54 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 2wdj s THR 24 CO 0.01 0.38 0.61 -0.69 -2.21 0.00 0.00 174.62 172.72 2wdj s VAL 25 N 0.73 5.08 0.32 5.08 1.01 0.19 -1.45 120.40 131.37 2wdj s VAL 25 Ca 0.11 1.21 0.10 0.00 0.00 0.00 0.00 61.98 63.39 2wdj s VAL 25 Cb -0.13 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2wdj s VAL 25 CO 0.02 0.22 -0.12 -0.63 0.00 0.00 0.00 175.10 174.59 2wdj s ILE 26 N 1.17 2.25 -0.29 2.22 -1.09 0.83 -1.77 121.20 124.52 2wdj s ILE 26 Ca 0.31 -2.25 0.01 0.00 -2.23 0.00 0.00 60.65 56.49 2wdj s ILE 26 Cb -0.16 -2.55 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 2wdj s ILE 26 CO 0.13 -0.26 0.04 -0.22 -1.23 0.00 0.00 174.94 173.40 2wdj s LEU 27 N -3.57 2.95 -0.80 2.97 2.96 -0.93 -0.94 118.68 121.31 2wdj s LEU 27 Ca 0.32 -1.60 -0.02 0.00 -0.22 0.00 0.00 54.13 52.60 2wdj s LEU 27 Cb 0.01 -1.14 0.29 0.00 0.50 0.00 0.00 46.19 45.84 2wdj s LEU 27 CO 0.16 -0.35 2.17 0.00 -1.32 0.00 0.00 176.35 177.00 2wdj n ALA 28 N 4.65 6.48 -0.99 5.97 0.00 -0.57 -2.31 120.51 133.74 2wdj n ALA 28 Ca -0.04 -3.96 -0.33 0.00 0.00 0.00 0.00 53.44 49.12 2wdj n ALA 28 Cb 0.43 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.84 2wdj n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdj n GLY 29 N -0.16 -3.52 3.40 0.00 0.00 -1.26 -4.05 105.19 99.61 2wdj n GLY 29 Ca 0.53 -0.44 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 2wdj n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdj n PRO 30 N 1.79 0.06 -3.87 1.61 -0.02 -1.26 -4.86 135.00 128.45 2wdj n PRO 30 Ca 0.03 0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 2wdj n PRO 30 Cb 0.46 -1.04 -0.12 0.00 -0.02 0.00 0.00 33.50 32.78 2wdj n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdj n PRO 32 N 2.84 1.32 -2.18 0.00 -0.02 -1.21 -2.31 135.00 133.44 2wdj n PRO 32 Ca 0.10 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 2wdj n PRO 32 Cb 0.34 -3.09 -0.03 0.00 -0.02 0.00 0.00 33.50 30.70 2wdj n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdj s VAL 33 N 9.81 2.86 -0.28 -1.45 0.11 -1.26 -1.11 120.40 129.08 2wdj s VAL 33 Ca 1.03 0.87 0.21 0.00 -2.93 0.00 0.00 61.98 61.17 2wdj s VAL 33 Cb -0.41 -3.55 0.49 0.00 -1.53 0.00 0.00 36.38 31.38 2wdj s VAL 33 CO 0.35 0.21 1.10 1.33 -3.33 0.00 0.00 175.10 174.76 2wdj n VAL 34 N 0.87 1.14 0.00 2.04 0.24 -0.73 -4.67 118.33 117.22 2wdj n VAL 34 Ca -0.00 -2.84 0.00 0.00 -2.04 0.00 0.00 64.34 59.46 2wdj n VAL 34 Cb 0.42 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2wdj n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2wdj n GLN 35 N -0.54 0.00 -4.23 7.34 7.27 -1.26 -4.89 117.38 121.07 2wdj n GLN 35 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.94 2wdj n GLN 35 Cb 0.81 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.30 2wdj n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2wdj s ARG 36 N -2.60 0.83 -1.15 3.69 0.52 -1.26 -1.25 118.95 117.73 2wdj s ARG 36 Ca 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 54.99 2wdj s ARG 36 Cb 0.00 -0.81 0.26 0.00 0.52 0.00 0.00 34.95 34.92 2wdj s ARG 36 CO 0.00 -0.01 1.70 0.54 0.02 0.00 0.00 175.30 177.55 2wdj n ARG 37 N 3.73 4.36 -1.90 3.54 5.12 0.19 -4.89 116.66 126.82 2wdj n ARG 37 Ca -0.22 -4.20 -0.39 0.00 -1.93 0.00 0.00 57.85 51.10 2wdj n ARG 37 Cb 0.52 -2.63 0.01 0.00 -1.16 0.00 0.00 32.46 29.20 2wdj n ARG 37 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wdj s THR 38 N -1.97 2.29 0.00 0.55 -4.23 -1.26 0.19 115.64 111.22 2wdj s THR 38 Ca 0.36 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2wdj s THR 38 Cb 0.09 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2wdj s THR 38 CO 0.04 0.03 0.00 -2.65 -0.54 0.00 0.00 174.62 171.50 2wdj n PRO 39 N -0.20 0.00 0.07 3.99 -0.02 -1.26 -0.85 135.00 136.73 2wdj n PRO 39 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wdj n PRO 39 Cb 0.43 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2wdj n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdj n GLU 40 N 1.49 0.00 -0.07 -0.52 0.00 -1.26 -4.49 120.64 115.79 2wdj n GLU 40 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 2wdj n GLU 40 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 2wdj n GLU 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2wdj h LYS 41 N 0.00 0.00 0.00 3.44 1.57 -1.83 -3.30 116.57 116.46 2wdj h LYS 41 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdj h LYS 41 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wdj h LYS 41 CO 0.00 0.00 -1.02 -0.25 -0.57 0.00 0.00 179.45 177.61 2wdj n ASP 42 N -5.24 3.77 -2.81 0.86 8.00 -0.67 -5.01 116.55 115.46 2wdj n ASP 42 Ca -0.00 -0.07 -0.05 0.00 0.71 0.00 0.00 54.79 55.37 2wdj n ASP 42 Cb 0.16 1.12 0.02 0.00 -0.02 0.00 0.00 41.12 42.41 2wdj n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdj n GLY 43 N 2.17 -0.92 0.00 0.44 0.00 -0.03 -4.90 105.19 101.95 2wdj n GLY 43 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2wdj n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdj n TYR 44 N -2.14 0.00 -0.21 1.61 4.11 -1.24 -4.82 117.16 114.46 2wdj n TYR 44 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 2wdj n TYR 44 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2wdj n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wdj n THR 45 N 0.00 -1.18 0.00 -3.48 -1.04 0.50 -4.76 114.28 104.32 2wdj n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wdj n THR 45 Cb 0.00 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2wdj n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdj n ALA 46 N 0.60 0.00 -2.87 2.41 0.00 -1.21 -2.88 120.51 116.56 2wdj n ALA 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2wdj n ALA 46 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wdj n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdj s VAL 47 N -1.61 5.06 -0.71 0.00 1.01 -1.21 0.58 120.40 123.52 2wdj s VAL 47 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2wdj s VAL 47 Cb 0.00 -3.48 0.19 0.00 0.00 0.00 0.00 36.38 33.09 2wdj s VAL 47 CO 0.00 0.10 0.57 1.67 0.00 0.00 0.00 175.10 177.44 2wdj n GLN 48 N 0.24 2.04 -2.07 2.72 7.27 -0.38 -1.65 117.38 125.54 2wdj n GLN 48 Ca -0.06 -4.53 -0.38 0.00 0.07 0.00 0.00 57.00 52.09 2wdj n GLN 48 Cb 0.52 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.88 2wdj n GLN 48 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wdj s LEU 49 N -1.69 4.07 0.28 1.69 1.02 -1.22 -1.76 118.68 121.08 2wdj s LEU 49 Ca 0.28 2.55 0.07 0.00 0.02 0.00 0.00 54.13 57.06 2wdj s LEU 49 Cb -0.00 -4.09 -0.03 0.00 0.02 0.00 0.00 46.19 42.08 2wdj s LEU 49 CO -0.14 -1.01 0.21 -0.83 0.02 0.00 0.00 176.35 174.60 2wdj s GLY 50 N -1.00 1.55 -0.10 -3.19 0.00 -0.27 -2.53 107.32 101.78 2wdj s GLY 50 Ca 0.62 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 2wdj s GLY 50 CO 0.44 -1.52 0.40 -0.12 0.00 0.00 0.00 173.10 172.30 2wdj s PHE 51 N -2.21 -0.38 0.00 1.90 2.19 -1.22 -3.31 117.98 114.96 2wdj s PHE 51 Ca 0.35 0.84 0.00 0.00 0.33 0.00 0.00 56.93 58.45 2wdj s PHE 51 Cb -0.07 0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 2wdj s PHE 51 CO 0.25 -0.30 0.00 -0.11 1.83 0.00 0.00 175.22 176.89 2wdj n LEU 52 N 2.20 -2.06 0.00 6.12 7.94 -1.26 -3.46 117.00 126.48 2wdj n LEU 52 Ca -0.16 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2wdj n LEU 52 Cb 0.57 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2wdj n LEU 52 CO 0.17 -0.03 0.00 -2.65 -1.11 0.00 0.00 177.39 173.76 2wdj n PRO 53 N 0.03 2.55 -0.29 1.96 -0.02 -1.26 -0.71 135.00 137.26 2wdj n PRO 53 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2wdj n PRO 53 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 2wdj n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdj n GLN 54 N 0.00 0.00 0.00 -0.52 10.64 -1.26 -2.67 117.38 123.57 2wdj n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wdj n GLN 54 Cb 0.00 -0.32 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 2wdj n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2wdj n ASN 55 N 1.05 0.00 -3.73 2.61 4.05 -1.26 -3.69 115.26 114.29 2wdj n ASN 55 Ca -0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2wdj n ASN 55 Cb 0.15 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.16 2wdj n ASN 55 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2wdj n PRO 56 N 0.00 0.00 -2.85 1.20 -0.02 -1.26 -3.24 135.00 128.83 2wdj n PRO 56 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2wdj n PRO 56 Cb 0.00 -0.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 2wdj n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdj n LYS 57 N 4.06 -0.96 -0.28 -0.52 5.02 -1.26 -4.65 118.16 119.56 2wdj n LYS 57 Ca 0.00 0.03 -0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2wdj n LYS 57 Cb 0.43 -1.14 0.10 0.00 -0.02 0.00 0.00 35.03 34.41 2wdj n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdj n ARG 58 N -1.91 1.94 0.00 1.97 1.74 -1.20 -4.76 116.66 114.44 2wdj n ARG 58 Ca -0.06 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 2wdj n ARG 58 Cb 0.18 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2wdj n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2wdj n VAL 59 N 0.14 0.00 0.00 1.55 3.14 -1.26 -5.07 118.33 116.84 2wdj n VAL 59 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2wdj n VAL 59 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 2wdj n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2wdj n ASN 60 N 0.00 0.00 0.00 6.55 0.23 -1.26 -4.97 115.26 115.81 2wdj n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2wdj n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2wdj n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wdj n ARG 61 N 0.00 0.00 -2.77 -3.83 0.63 -1.26 -2.51 116.66 106.92 2wdj n ARG 61 Ca 0.00 0.38 -0.43 0.00 -0.92 0.00 0.00 57.85 56.88 2wdj n ARG 61 Cb 0.00 -0.63 -0.03 0.00 0.45 0.00 0.00 32.46 32.26 2wdj n ARG 61 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wdj s PRO 62 N -2.07 3.51 0.02 -0.14 0.04 -1.26 -4.71 135.00 130.40 2wdj s PRO 62 Ca 0.00 -1.34 -0.08 0.00 0.04 0.00 0.00 61.00 59.63 2wdj s PRO 62 Cb 0.00 -4.94 -0.30 0.00 0.04 0.00 0.00 34.50 29.29 2wdj s PRO 62 CO 0.00 -1.95 0.94 1.25 0.04 0.00 0.00 177.00 177.28 2wdj h LEU 63 N 11.51 0.54 -3.59 -3.56 6.46 -1.90 -3.48 115.31 121.29 2wdj h LEU 63 Ca 0.09 -0.66 -0.46 0.00 -0.12 0.00 0.00 57.88 56.73 2wdj h LEU 63 Cb 1.03 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.79 2wdj h LEU 63 CO 1.24 1.54 -0.95 1.17 -0.62 0.00 0.00 178.44 180.82 2wdj n LYS 64 N -3.56 -1.19 -0.15 1.25 4.81 -1.26 -4.76 118.16 113.30 2wdj n LYS 64 Ca -0.16 0.65 0.12 0.00 -0.87 0.00 0.00 58.31 58.05 2wdj n LYS 64 Cb 1.06 -2.89 0.25 0.00 0.02 0.00 0.00 35.03 33.47 2wdj n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdj n GLY 65 N -1.77 1.27 0.38 3.14 0.00 -1.26 -4.36 105.19 102.59 2wdj n GLY 65 Ca -0.22 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.25 2wdj n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wdj h HIS 66 N 3.86 0.00 -4.21 1.61 6.17 -2.00 -3.39 115.15 117.21 2wdj h HIS 66 Ca 0.00 0.00 -0.69 0.00 0.71 0.00 0.00 60.37 60.39 2wdj h HIS 66 Cb 0.85 0.00 -0.25 0.00 2.52 0.00 0.00 27.41 30.53 2wdj h HIS 66 CO 0.19 0.00 -0.87 -0.06 0.71 0.00 0.00 177.93 177.90 2wdj s PHE 67 N -4.14 2.34 0.08 5.26 0.40 -1.26 -5.05 117.98 115.61 2wdj s PHE 67 Ca -0.01 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 2wdj s PHE 67 Cb 0.05 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 2wdj s PHE 67 CO 0.17 0.17 1.30 0.00 0.70 0.00 0.00 175.22 177.57 2wdj h ALA 68 N 4.60 -0.45 0.00 5.36 0.00 -1.92 0.91 119.26 127.76 2wdj h ALA 68 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wdj h ALA 68 Cb 1.15 1.06 0.00 0.00 0.00 0.00 0.00 17.79 20.00 2wdj h ALA 68 CO 0.43 -0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.67 2wdj n LYS 69 N -4.22 0.00 -0.34 0.00 5.02 -1.26 -3.02 118.16 114.34 2wdj n LYS 69 Ca -0.01 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.46 2wdj n LYS 69 Cb 0.17 -1.16 0.41 0.00 -0.02 0.00 0.00 35.03 34.43 2wdj n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdj h ALA 70 N 1.06 1.89 0.00 7.82 0.00 -1.09 -3.45 119.26 125.48 2wdj h ALA 70 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdj h ALA 70 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wdj h ALA 70 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.34 2wdj n GLY 71 N -1.36 0.00 2.96 0.00 0.00 -1.17 -0.96 105.19 104.66 2wdj n GLY 71 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 2wdj n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdj n VAL 72 N 0.69 -0.81 0.00 1.61 0.31 -1.26 -4.46 118.33 114.41 2wdj n VAL 72 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2wdj n VAL 72 Cb 0.00 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2wdj n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdj n GLU 73 N -1.17 0.00 -2.56 5.55 4.07 -0.14 -4.43 120.64 121.96 2wdj n GLU 73 Ca -0.08 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.65 2wdj n GLU 73 Cb 0.18 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.51 2wdj n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdj s PRO 74 N 0.00 4.26 0.00 5.31 0.04 -1.26 -4.26 135.00 139.08 2wdj s PRO 74 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2wdj s PRO 74 Cb 0.00 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2wdj s PRO 74 CO 0.00 -0.06 0.00 0.28 0.04 0.00 0.00 177.00 177.26 2wdj n VAL 75 N 0.13 0.00 -1.51 -0.36 0.31 0.12 -4.30 118.33 112.72 2wdj n VAL 75 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.10 2wdj n VAL 75 Cb 0.49 -0.84 -0.17 0.00 -0.91 0.00 0.00 33.84 32.41 2wdj n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdj n ARG 76 N 0.00 0.14 -0.02 5.55 1.74 -1.22 -4.74 116.66 118.11 2wdj n ARG 76 Ca 0.00 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2wdj n ARG 76 Cb 0.00 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2wdj n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdj n ILE 77 N 6.65 0.00 -4.56 0.55 5.41 -1.26 -3.58 119.36 122.58 2wdj n ILE 77 Ca 0.63 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 64.04 2wdj n ILE 77 Cb 0.17 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.99 2wdj n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wdj s LEU 78 N 0.00 3.27 -0.01 1.39 2.34 -1.26 -3.39 118.68 121.02 2wdj s LEU 78 Ca 0.00 0.01 0.02 0.00 0.06 0.00 0.00 54.13 54.22 2wdj s LEU 78 Cb 0.00 -1.73 -0.00 0.00 -0.56 0.00 0.00 46.19 43.90 2wdj s LEU 78 CO 0.00 0.36 -0.07 -0.13 -1.06 0.00 0.00 176.35 175.45 2wdj s ARG 79 N -0.87 0.58 1.00 1.48 3.00 -1.05 -5.00 118.95 118.08 2wdj s ARG 79 Ca 0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 55.73 55.50 2wdj s ARG 79 Cb -0.11 -0.56 0.19 0.00 0.00 0.00 0.00 34.95 34.47 2wdj s ARG 79 CO 0.02 0.14 1.08 -1.21 0.00 0.00 0.00 175.30 175.33 2wdj s GLU 80 N -0.10 0.38 -0.06 3.54 2.02 -1.26 -3.37 118.70 119.85 2wdj s GLU 80 Ca 0.02 0.72 0.24 0.00 0.02 0.00 0.00 54.97 55.97 2wdj s GLU 80 Cb -0.03 -1.71 0.44 0.00 0.10 0.00 0.00 34.13 32.92 2wdj s GLU 80 CO -0.00 -2.82 1.17 -0.89 0.02 0.00 0.00 175.26 172.74 2wdj n ILE 81 N -4.27 0.39 0.00 -1.63 2.08 -0.66 -4.91 119.36 110.36 2wdj n ILE 81 Ca 0.05 -1.49 0.00 0.00 0.56 0.00 0.00 62.75 61.88 2wdj n ILE 81 Cb 0.56 0.91 0.00 0.00 -0.75 0.00 0.00 39.64 40.35 2wdj n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdj n ARG 82 N 0.20 0.00 -1.38 0.38 5.12 -1.26 -4.30 116.66 115.42 2wdj n ARG 82 Ca 0.08 0.00 -0.53 0.00 -1.93 0.00 0.00 57.85 55.47 2wdj n ARG 82 Cb 1.06 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 32.27 2wdj n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdj n ASP 83 N -3.79 1.60 0.00 0.55 8.00 -1.14 -3.35 116.55 118.43 2wdj n ASP 83 Ca 0.00 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2wdj n ASP 83 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2wdj n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wdj n PHE 84 N 9.21 0.00 -3.69 1.24 -0.00 -1.26 -3.41 117.46 119.56 2wdj n PHE 84 Ca 0.47 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.54 2wdj n PHE 84 Cb 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.50 2wdj n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2wdj s ASN 85 N 0.00 5.43 0.52 -2.13 3.84 -1.26 -4.28 114.94 117.06 2wdj s ASN 85 Ca 0.00 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 52.80 2wdj s ASN 85 Cb 0.00 -1.98 0.03 0.00 -0.55 0.00 0.00 41.25 38.75 2wdj s ASN 85 CO 0.00 -0.11 0.42 -2.16 -2.79 0.00 0.00 177.10 172.46 2wdj s PRO 86 N 1.63 2.30 -1.29 0.43 0.04 -1.26 -4.98 135.00 131.87 2wdj s PRO 86 Ca 0.06 -1.90 -0.15 0.00 0.04 0.00 0.00 61.00 59.04 2wdj s PRO 86 Cb -0.16 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 2wdj s PRO 86 CO 0.06 -0.55 2.21 -0.85 0.04 0.00 0.00 177.00 177.91 2wdj n GLU 87 N -1.75 2.57 -1.09 4.56 0.28 -1.26 -4.89 120.64 119.07 2wdj n GLU 87 Ca 0.01 -2.35 -0.43 0.00 -0.16 0.00 0.00 57.16 54.22 2wdj n GLU 87 Cb 0.64 -3.14 -0.07 0.00 1.43 0.00 0.00 31.44 30.30 2wdj n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdj n GLY 88 N 4.15 0.09 0.00 -1.84 0.00 -1.26 -4.83 105.19 101.50 2wdj n GLY 88 Ca 0.53 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.21 2wdj n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdj n ASP 89 N 2.88 0.00 -2.09 1.61 9.92 -1.26 -5.03 116.55 122.57 2wdj n ASP 89 Ca 0.22 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.45 2wdj n ASP 89 Cb -0.04 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.42 2wdj n ASP 89 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wdj n THR 90 N 0.00 -9.26 -3.26 -3.53 -1.04 -1.25 -4.94 114.28 91.00 2wdj n THR 90 Ca 0.00 1.83 -0.30 0.00 -2.04 0.00 0.00 64.05 63.55 2wdj n THR 90 Cb 0.00 -5.30 -0.04 0.00 -1.82 0.00 0.00 70.33 63.17 2wdj n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wdj s VAL 91 N -0.41 4.95 0.29 12.58 1.01 -0.98 -4.79 120.40 133.06 2wdj s VAL 91 Ca -0.13 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2wdj s VAL 91 Cb 0.01 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wdj s VAL 91 CO 0.36 -0.30 0.42 0.42 0.00 0.00 0.00 175.10 176.00 2wdj s THR 92 N -2.07 0.00 0.33 3.92 -4.23 -1.26 -1.00 115.64 111.33 2wdj s THR 92 Ca 0.46 -1.62 0.12 0.00 -1.18 0.00 0.00 61.69 59.48 2wdj s THR 92 Cb -0.11 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.58 2wdj s THR 92 CO 0.28 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.57 2wdj h VAL 93 N 2.24 0.22 0.00 2.29 2.07 -1.90 0.24 116.25 121.40 2wdj h VAL 93 Ca -0.29 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2wdj h VAL 93 Cb 1.24 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wdj h VAL 93 CO 0.40 0.04 0.18 -0.62 0.02 0.00 0.00 177.57 177.58 2wdj n GLU 94 N -5.17 0.00 0.20 1.57 1.02 -1.26 -0.40 120.64 116.60 2wdj n GLU 94 Ca 0.30 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.71 2wdj n GLU 94 Cb 0.95 -1.68 0.33 0.00 -0.02 0.00 0.00 31.44 31.03 2wdj n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wdj h ILE 95 N 0.00 0.69 -3.31 -3.67 5.03 -0.94 -3.43 117.51 111.88 2wdj h ILE 95 Ca 0.00 -1.44 -0.64 0.00 -0.12 0.00 0.00 64.86 62.66 2wdj h ILE 95 Cb 0.35 1.95 -0.20 0.00 -3.03 0.00 0.00 36.82 35.89 2wdj h ILE 95 CO 0.00 0.31 -0.64 -0.36 -0.68 0.00 0.00 178.15 176.78 2wdj s PHE 96 N -3.49 3.08 -0.16 1.37 0.08 0.47 -5.08 117.98 114.25 2wdj s PHE 96 Ca 0.01 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.83 2wdj s PHE 96 Cb 0.10 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2wdj s PHE 96 CO 0.67 0.06 0.07 0.15 -0.10 0.00 0.00 175.22 176.07 2wdj s LYS 97 N 0.23 3.78 -0.80 0.44 -0.14 -1.26 -4.93 119.74 117.05 2wdj s LYS 97 Ca -0.01 -0.31 -0.36 0.00 -1.36 0.00 0.00 55.97 53.94 2wdj s LYS 97 Cb -0.13 -3.17 -0.20 0.00 -1.68 0.00 0.00 37.83 32.64 2wdj s LYS 97 CO 0.02 0.42 2.48 -2.30 -0.76 0.00 0.00 175.35 175.21 2wdj n PRO 98 N 3.09 0.05 0.00 -1.68 -0.02 -1.26 -2.26 135.00 132.92 2wdj n PRO 98 Ca -0.17 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wdj n PRO 98 Cb 0.53 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2wdj n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 99 N 6.84 0.50 3.90 -1.23 0.00 -0.18 -4.96 105.19 110.05 2wdj n GLY 99 Ca 0.61 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 2wdj n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdj s GLU 100 N 0.00 3.68 -0.19 1.61 2.02 -0.96 -4.75 118.70 120.11 2wdj s GLU 100 Ca 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 54.97 54.88 2wdj s GLU 100 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 2wdj s GLU 100 CO 0.00 0.21 0.66 1.03 0.02 0.00 0.00 175.26 177.18 2wdj s ARG 101 N -3.41 4.23 0.09 1.61 1.81 -1.26 -1.15 118.95 120.86 2wdj s ARG 101 Ca 0.45 0.68 0.05 0.00 -1.72 0.00 0.00 55.73 55.20 2wdj s ARG 101 Cb -0.11 -3.57 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 2wdj s ARG 101 CO 0.28 -0.24 -0.14 0.14 -0.68 0.00 0.00 175.30 174.66 2wdj s VAL 102 N 1.90 1.17 0.21 3.52 -7.23 0.52 -1.23 120.40 119.25 2wdj s VAL 102 Ca 0.30 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 59.09 2wdj s VAL 102 Cb -0.16 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2wdj s VAL 102 CO 0.11 -0.29 0.28 -1.81 -0.31 0.00 0.00 175.10 173.08 2wdj s ASP 103 N -1.96 6.06 -0.05 4.85 1.01 -0.82 -0.79 116.67 124.97 2wdj s ASP 103 Ca 0.01 0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 2wdj s ASP 103 Cb -0.08 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.15 2wdj s ASP 103 CO 0.02 -0.01 0.09 -0.69 0.21 0.00 0.00 175.17 174.79 2wdj s VAL 104 N -1.91 -0.10 0.09 -1.27 1.01 -0.82 -2.23 120.40 115.17 2wdj s VAL 104 Ca 0.33 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.61 2wdj s VAL 104 Cb -0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2wdj s VAL 104 CO 0.27 0.11 0.14 -0.89 0.00 0.00 0.00 175.10 174.74 2wdj s THR 105 N 1.50 4.85 0.22 3.92 2.01 -1.15 -0.83 115.64 126.16 2wdj s THR 105 Ca -0.05 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 2wdj s THR 105 Cb -0.12 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 69.07 2wdj s THR 105 CO -0.04 0.08 0.95 -0.83 -0.69 0.00 0.00 174.62 174.09 2wdj s GLY 106 N -2.59 0.03 -0.60 4.40 0.00 0.41 -2.45 107.32 106.52 2wdj s GLY 106 Ca 0.32 -0.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.69 2wdj s GLY 106 CO 0.24 0.93 0.48 -1.59 0.00 0.00 0.00 173.10 173.17 2wdj s THR 107 N -2.69 4.46 0.51 0.90 2.01 -1.26 -0.42 115.64 119.15 2wdj s THR 107 Ca 0.17 -2.25 -0.22 0.00 0.31 0.00 0.00 61.69 59.70 2wdj s THR 107 Cb -0.03 -3.87 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 2wdj s THR 107 CO 0.05 -0.87 1.02 -1.54 -0.69 0.00 0.00 174.62 172.60 2wdj n SER 108 N 4.32 1.20 -4.58 3.53 3.41 -1.10 -3.51 113.62 116.89 2wdj n SER 108 Ca 0.01 0.94 -0.42 0.00 -0.26 0.00 0.00 58.87 59.14 2wdj n SER 108 Cb 0.41 -1.39 0.01 0.00 -0.26 0.00 0.00 64.21 62.98 2wdj n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdj n LYS 109 N -0.39 1.22 -3.37 4.33 5.02 -1.26 -2.50 118.16 121.20 2wdj n LYS 109 Ca 0.11 0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 56.45 2wdj n LYS 109 Cb 0.43 -1.93 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 2wdj n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdj s GLY 110 N -0.75 1.98 -0.02 0.72 0.00 -1.26 -2.90 107.32 105.09 2wdj s GLY 110 Ca 0.63 -0.65 0.22 0.00 0.00 0.00 0.00 44.72 44.92 2wdj s GLY 110 CO 0.57 0.92 1.56 0.54 0.00 0.00 0.00 173.10 176.70 2wdj n ARG 111 N 4.92 2.89 0.00 2.90 1.74 0.25 -4.78 116.66 124.58 2wdj n ARG 111 Ca -0.08 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.30 2wdj n ARG 111 Cb 0.51 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2wdj n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 112 N 1.60 1.03 3.47 -0.13 0.00 -1.12 -3.97 105.19 106.07 2wdj n GLY 112 Ca 0.25 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2wdj n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdj n PHE 113 N 5.83 4.60 -3.37 1.61 7.35 -1.26 -0.21 117.46 132.00 2wdj n PHE 113 Ca 0.00 -2.95 -0.37 0.00 -0.76 0.00 0.00 57.45 53.37 2wdj n PHE 113 Cb 0.00 -2.53 -0.06 0.00 0.35 0.00 0.00 39.48 37.25 2wdj n PHE 113 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdj s ALA 114 N 3.51 3.61 0.74 3.13 0.00 0.12 -4.80 121.76 128.08 2wdj s ALA 114 Ca 0.51 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 2wdj s ALA 114 Cb 0.04 -2.51 0.08 0.00 0.00 0.00 0.00 23.12 20.72 2wdj s ALA 114 CO 0.05 0.45 1.07 0.20 0.00 0.00 0.00 175.76 177.53 2wdj s GLY 115 N -1.44 1.68 0.61 0.00 0.00 -1.26 -1.42 107.32 105.48 2wdj s GLY 115 Ca 0.33 -0.93 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 2wdj s GLY 115 CO 0.18 -0.48 1.30 0.54 0.00 0.00 0.00 173.10 174.65 2wdj s VAL 116 N -3.35 2.13 0.00 1.40 0.11 -1.26 -2.43 120.40 117.00 2wdj s VAL 116 Ca 0.62 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 2wdj s VAL 116 Cb -0.10 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 2wdj s VAL 116 CO 0.46 -0.01 0.00 0.80 -3.33 0.00 0.00 175.10 173.02 2wdj n MET 117 N -1.59 0.00 0.00 1.54 0.00 -1.26 -4.74 117.12 111.07 2wdj n MET 117 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 2wdj n MET 117 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.36 2wdj n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wdj n LYS 118 N -0.76 0.00 0.10 2.12 0.00 -1.24 -4.59 118.16 113.79 2wdj n LYS 118 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.42 2wdj n LYS 118 Cb 0.32 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.80 2wdj n LYS 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdj n ARG 119 N 0.00 0.16 0.00 1.64 0.00 -1.02 -3.97 116.66 113.47 2wdj n ARG 119 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 2wdj n ARG 119 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 30.67 2wdj n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2wdj n TRP 120 N -2.08 0.00 -2.22 -0.14 5.03 -1.26 -4.99 117.44 111.77 2wdj n TRP 120 Ca 0.03 0.00 -0.16 0.00 3.03 0.00 0.00 57.50 60.40 2wdj n TRP 120 Cb 0.23 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.50 2wdj n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2wdj n ASN 121 N 0.00 -4.81 -4.63 -0.99 4.13 -1.25 -4.72 115.26 102.98 2wdj n ASN 121 Ca 0.00 0.03 -0.31 0.00 1.68 0.00 0.00 54.58 55.98 2wdj n ASN 121 Cb 0.00 -3.91 0.17 0.00 -1.54 0.00 0.00 39.78 34.51 2wdj n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wdj n PHE 122 N -3.86 0.44 0.08 3.10 3.01 -1.26 -4.82 117.46 114.14 2wdj n PHE 122 Ca -0.19 0.33 -0.08 0.00 1.01 0.00 0.00 57.45 58.52 2wdj n PHE 122 Cb 0.63 -1.95 0.03 0.00 -0.01 0.00 0.00 39.48 38.19 2wdj n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wdj h ALA 123 N -1.96 0.62 -0.07 4.37 0.00 -1.93 -3.42 119.26 116.87 2wdj h ALA 123 Ca -0.45 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2wdj h ALA 123 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wdj h ALA 123 CO 0.41 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.90 2wdj n GLY 124 N 0.64 0.51 3.29 0.00 0.00 -1.26 -4.91 105.19 103.46 2wdj n GLY 124 Ca -0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 2wdj n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdj s GLY 125 N -0.03 1.70 0.48 -0.02 0.00 0.36 -4.79 107.32 105.01 2wdj s GLY 125 Ca 0.00 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.69 2wdj s GLY 125 CO 0.00 -1.54 1.16 -4.14 0.00 0.00 0.00 173.10 168.58 2wdj s PRO 126 N -4.04 3.67 0.00 2.90 0.02 -1.26 -4.80 135.00 131.49 2wdj s PRO 126 Ca 0.38 1.75 0.26 0.00 0.02 0.00 0.00 61.00 63.40 2wdj s PRO 126 Cb 0.07 -2.32 0.59 0.00 0.02 0.00 0.00 34.50 32.86 2wdj s PRO 126 CO 0.14 -0.62 1.47 -0.25 -0.33 0.00 0.00 177.00 177.41 2wdj n ASP 127 N -0.65 1.65 -0.53 2.53 8.00 -1.26 -4.62 116.55 121.66 2wdj n ASP 127 Ca 0.08 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2wdj n ASP 127 Cb 0.49 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2wdj n ASP 127 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wdj n SER 128 N -0.01 0.00 0.00 -2.24 3.41 -1.26 -5.02 113.62 108.50 2wdj n SER 128 Ca 0.14 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 2wdj n SER 128 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2wdj n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wdj n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.66 115.22 124.88 2wdj n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdj n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdj n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdj n GLY 130 N 0.00 -3.42 0.00 -1.41 0.00 -1.26 -4.98 105.19 94.12 2wdj n GLY 130 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2wdj n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 131 N -2.98 0.00 -0.98 4.61 0.00 -1.26 -4.99 120.51 114.91 2wdj n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdj n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdj n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wdj n HIS 132 N -2.15 0.00 -0.71 0.00 -0.00 -1.26 -4.73 115.22 106.37 2wdj n HIS 132 Ca 0.00 -0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.25 2wdj n HIS 132 Cb 0.00 -0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.10 2wdj n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2wdj n LYS 133 N -0.01 2.96 -1.64 1.57 5.02 -1.26 -4.50 118.16 120.30 2wdj n LYS 133 Ca 0.00 -2.58 0.02 0.00 -2.02 0.00 0.00 58.31 53.73 2wdj n LYS 133 Cb 0.41 -1.66 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 2wdj n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wdj n ILE 134 N -0.12 0.83 -0.33 -0.18 -0.00 -1.26 -4.89 119.36 113.41 2wdj n ILE 134 Ca 0.18 -2.01 0.17 0.00 -0.00 0.00 0.00 62.75 61.08 2wdj n ILE 134 Cb 0.74 0.69 0.40 0.00 -0.00 0.00 0.00 39.64 41.47 2wdj n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 2wdj h HIS 135 N 1.40 0.89 -1.10 4.28 3.86 -1.82 -2.92 115.15 119.75 2wdj h HIS 135 Ca -0.13 0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.64 2wdj h HIS 135 Cb 1.58 -0.27 -0.41 0.00 1.06 0.00 0.00 27.41 29.38 2wdj h HIS 135 CO 0.40 0.16 -0.93 0.54 0.86 0.00 0.00 177.93 178.96 2wdj n ARG 136 N -4.71 2.60 -4.14 2.45 1.74 -1.26 -0.49 116.66 112.84 2wdj n ARG 136 Ca 0.24 -3.97 -0.23 0.00 -0.77 0.00 0.00 57.85 53.12 2wdj n ARG 136 Cb 0.68 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 2wdj n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wdj s HIS 137 N -3.46 3.05 -1.21 -1.55 3.76 -1.10 -4.88 115.29 109.91 2wdj s HIS 137 Ca 0.40 -0.10 0.10 0.00 -0.15 0.00 0.00 55.06 55.31 2wdj s HIS 137 Cb 0.41 -1.40 0.47 0.00 1.11 0.00 0.00 32.58 33.17 2wdj s HIS 137 CO -0.07 0.53 1.27 -0.35 -0.85 0.00 0.00 174.74 175.28 2wdj n PRO 138 N -0.88 0.07 0.00 8.40 -0.04 -1.26 -4.33 135.00 136.96 2wdj n PRO 138 Ca -0.08 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2wdj n PRO 138 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2wdj n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdj n GLY 139 N -0.44 1.89 3.95 0.55 0.00 -1.26 -4.79 105.19 105.09 2wdj n GLY 139 Ca 0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2wdj n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdj s SER 140 N -4.00 6.10 -0.01 1.61 0.15 -1.26 -5.04 113.70 111.25 2wdj s SER 140 Ca 0.00 0.34 0.01 0.00 0.70 0.00 0.00 55.95 57.00 2wdj s SER 140 Cb 0.00 -1.79 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2wdj s SER 140 CO 0.00 -0.46 0.73 2.30 1.20 0.00 0.00 173.24 177.01 2wdj n ILE 141 N -1.89 0.22 -1.83 6.45 -5.35 -1.26 -5.12 119.36 110.58 2wdj n ILE 141 Ca -0.02 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2wdj n ILE 141 Cb 0.57 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 2wdj n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdj n GLY 142 N -0.14 2.33 0.00 3.28 0.00 -1.26 -4.77 105.19 104.64 2wdj n GLY 142 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2wdj n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdj n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.13 115.26 115.50 2wdj n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wdj n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wdj n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wdj n ARG 144 N 0.00 0.00 0.19 3.52 5.12 -1.26 -5.03 116.66 119.20 2wdj n ARG 144 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 2wdj n ARG 144 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 2wdj n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2wdj h LYS 145 N 0.00 -0.77 -5.15 5.56 1.79 -2.02 -3.13 116.57 112.86 2wdj h LYS 145 Ca 0.00 0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 57.91 2wdj h LYS 145 Cb 0.00 0.17 -0.14 0.00 -1.58 0.00 0.00 32.23 30.69 2wdj h LYS 145 CO 0.00 -0.51 -0.49 0.95 -1.08 0.00 0.00 179.45 178.32 2wdj s THR 146 N -5.89 5.37 0.17 -0.16 -4.23 -1.26 -0.88 115.64 108.76 2wdj s THR 146 Ca -0.17 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.43 2wdj s THR 146 Cb 0.06 -3.50 0.07 0.00 1.34 0.00 0.00 72.50 70.47 2wdj s THR 146 CO 0.62 0.37 1.68 1.55 -0.54 0.00 0.00 174.62 178.31 2wdj h PRO 147 N 7.26 0.93 0.00 3.99 0.13 -1.97 -3.45 132.00 138.89 2wdj h PRO 147 Ca -0.39 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2wdj h PRO 147 Cb 1.16 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2wdj h PRO 147 CO 0.69 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.73 2wdj n GLY 148 N -0.65 0.89 0.00 1.56 0.00 -0.06 -5.04 105.19 101.89 2wdj n GLY 148 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wdj n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdj n ARG 149 N -2.20 0.00 -5.25 1.61 1.85 -1.26 -5.06 116.66 106.35 2wdj n ARG 149 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2wdj n ARG 149 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 2wdj n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wdj s VAL 150 N -2.89 2.06 0.21 8.89 1.01 -1.26 -4.70 120.40 123.72 2wdj s VAL 150 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2wdj s VAL 150 Cb 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 36.38 34.47 2wdj s VAL 150 CO 0.00 0.57 0.88 -1.22 0.00 0.00 0.00 175.10 175.32 2wdj n TYR 151 N 3.16 0.61 0.01 5.22 4.01 -1.26 -4.86 117.16 124.05 2wdj n TYR 151 Ca -0.18 0.82 0.10 0.00 -0.16 0.00 0.00 57.90 58.48 2wdj n TYR 151 Cb 0.52 -2.14 0.53 0.00 -0.31 0.00 0.00 39.34 37.94 2wdj n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wdj h LYS 152 N 2.04 0.32 -0.26 -0.72 1.63 -2.03 -2.15 116.57 115.41 2wdj h LYS 152 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2wdj h LYS 152 Cb 1.38 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2wdj h LYS 152 CO 0.62 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 177.24 2wdj n GLY 153 N -1.52 0.77 2.86 5.01 0.00 -1.26 -5.00 105.19 106.05 2wdj n GLY 153 Ca 0.06 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2wdj n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdj n LYS 154 N 0.71 0.00 -3.40 1.61 3.00 -0.81 -4.90 118.16 114.38 2wdj n LYS 154 Ca 0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.10 2wdj n LYS 154 Cb 0.41 -0.87 -0.07 0.00 0.00 0.00 0.00 35.03 34.50 2wdj n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdj s LYS 155 N -0.78 4.19 0.30 1.64 1.02 -1.26 -5.05 119.74 119.80 2wdj s LYS 155 Ca 0.55 0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.81 2wdj s LYS 155 Cb -0.80 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 32.97 2wdj s LYS 155 CO 0.47 0.00 0.22 -1.33 -0.92 0.00 0.00 175.35 173.80 2wdj n MET 156 N 4.32 0.40 -1.22 1.68 2.81 -1.26 -5.06 117.12 118.79 2wdj n MET 156 Ca -0.09 -2.91 -0.30 0.00 -1.81 0.00 0.00 57.70 52.60 2wdj n MET 156 Cb 0.51 2.23 0.23 0.00 -0.71 0.00 0.00 33.22 35.48 2wdj n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wdj s ALA 157 N -3.13 0.89 0.00 3.04 0.00 -1.26 -4.50 121.76 116.80 2wdj s ALA 157 Ca 0.31 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2wdj s ALA 157 Cb 0.02 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2wdj s ALA 157 CO 0.22 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 173.04 2wdj n GLY 158 N -1.41 0.14 3.76 0.00 0.00 -0.51 -4.90 105.19 102.27 2wdj n GLY 158 Ca 0.13 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2wdj n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wdj s HIS 159 N -2.42 3.22 -0.23 1.61 5.65 -1.26 -0.70 115.29 121.17 2wdj s HIS 159 Ca 0.00 1.44 -0.09 0.00 0.25 0.00 0.00 55.06 56.67 2wdj s HIS 159 Cb 0.00 -3.57 0.09 0.00 -1.18 0.00 0.00 32.58 27.93 2wdj s HIS 159 CO 0.00 -1.54 0.50 -0.47 -0.65 0.00 0.00 174.74 172.57 2wdj s TYR 160 N -0.89 -0.92 0.00 3.88 6.14 0.71 -4.84 117.35 121.42 2wdj s TYR 160 Ca 0.49 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.94 2wdj s TYR 160 Cb -0.37 0.45 0.00 0.00 0.42 0.00 0.00 41.96 42.46 2wdj s TYR 160 CO 0.47 -0.51 0.00 0.41 0.64 0.00 0.00 175.55 176.56 2wdj n GLY 161 N 5.15 0.42 0.74 8.97 0.00 -1.26 -0.58 105.19 118.62 2wdj n GLY 161 Ca -0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 2wdj n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 162 N -0.81 0.17 -3.39 4.61 0.00 -1.04 -4.74 120.51 115.31 2wdj n ALA 162 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2wdj n ALA 162 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 2wdj n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wdj s GLU 163 N 1.66 1.48 -0.57 0.00 -1.05 -1.26 -4.96 118.70 114.00 2wdj s GLU 163 Ca 0.28 -0.94 -0.28 0.00 -0.15 0.00 0.00 54.97 53.89 2wdj s GLU 163 Cb -0.22 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2wdj s GLU 163 CO 0.11 -0.64 1.50 0.50 0.95 0.00 0.00 175.26 177.69 2wdj s ARG 164 N -3.90 3.18 -0.23 -4.83 3.52 -1.26 -2.72 118.95 112.70 2wdj s ARG 164 Ca 0.11 0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 2wdj s ARG 164 Cb -0.02 -4.18 0.02 0.00 -1.56 0.00 0.00 34.95 29.21 2wdj s ARG 164 CO 0.01 -2.08 -0.07 0.08 -0.81 0.00 0.00 175.30 172.42 2wdj s VAL 165 N 6.59 2.89 -0.31 7.11 1.01 0.44 -4.95 120.40 133.19 2wdj s VAL 165 Ca 0.55 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2wdj s VAL 165 Cb -0.12 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2wdj s VAL 165 CO 0.24 0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.75 2wdj s THR 166 N 1.36 2.85 0.75 3.92 2.01 -1.26 -0.44 115.64 124.83 2wdj s THR 166 Ca 0.02 -1.54 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 2wdj s THR 166 Cb -0.16 -2.70 0.06 0.00 0.01 0.00 0.00 72.50 69.72 2wdj s THR 166 CO -0.05 -0.18 1.10 0.54 -0.69 0.00 0.00 174.62 175.34 2wdj s VAL 167 N 1.20 2.33 0.16 3.82 0.11 -0.01 -4.88 120.40 123.13 2wdj s VAL 167 Ca -0.04 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2wdj s VAL 167 Cb -0.20 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2wdj s VAL 167 CO -0.02 -0.09 0.12 0.23 -3.33 0.00 0.00 175.10 172.01 2wdj n MET 168 N -3.12 0.29 -1.27 1.54 2.81 -1.26 -1.95 117.12 114.16 2wdj n MET 168 Ca 0.08 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.39 2wdj n MET 168 Cb 0.60 1.22 0.00 0.00 -0.71 0.00 0.00 33.22 34.33 2wdj n MET 168 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wdj n ASN 169 N -2.29 -0.35 -4.77 7.83 5.15 -1.16 -4.86 115.26 114.82 2wdj n ASN 169 Ca 0.03 0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.80 2wdj n ASN 169 Cb 0.28 -0.50 -0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2wdj n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wdj s LEU 170 N -2.34 4.09 -0.06 1.20 1.02 0.03 -4.53 118.68 118.10 2wdj s LEU 170 Ca 0.00 2.50 -0.25 0.00 0.02 0.00 0.00 54.13 56.40 2wdj s LEU 170 Cb 0.00 -4.09 -0.03 0.00 0.02 0.00 0.00 46.19 42.09 2wdj s LEU 170 CO 0.00 -0.94 0.77 -0.70 0.02 0.00 0.00 176.35 175.50 2wdj s GLU 171 N -2.49 4.45 0.11 1.70 2.12 -1.26 -0.36 118.70 122.98 2wdj s GLU 171 Ca 0.61 1.00 -0.30 0.00 0.36 0.00 0.00 54.97 56.64 2wdj s GLU 171 Cb -0.34 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 2wdj s GLU 171 CO 0.42 0.01 0.98 0.08 -0.54 0.00 0.00 175.26 176.22 2wdj s VAL 172 N 0.94 4.44 0.16 3.70 1.01 -0.30 -3.04 120.40 127.30 2wdj s VAL 172 Ca 0.41 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.40 2wdj s VAL 172 Cb -0.18 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2wdj s VAL 172 CO 0.20 0.30 0.03 0.52 0.00 0.00 0.00 175.10 176.15 2wdj n VAL 173 N 2.81 0.00 -0.58 2.92 0.31 0.14 -1.01 118.33 122.91 2wdj n VAL 173 Ca 0.03 -0.73 -0.23 0.00 -0.01 0.00 0.00 64.34 63.40 2wdj n VAL 173 Cb 0.49 0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 2wdj n VAL 173 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdj n ASP 174 N -1.29 0.32 -4.50 4.52 4.64 -1.26 -4.26 116.55 114.71 2wdj n ASP 174 Ca -0.05 0.41 -0.33 0.00 -1.38 0.00 0.00 54.79 53.43 2wdj n ASP 174 Cb 0.20 -0.31 -0.12 0.00 -1.04 0.00 0.00 41.12 39.85 2wdj n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2wdj s VAL 175 N 0.79 3.50 -0.89 5.18 -7.23 -1.26 -3.13 120.40 117.37 2wdj s VAL 175 Ca 0.35 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 59.90 2wdj s VAL 175 Cb -0.50 -2.46 0.23 0.00 0.56 0.00 0.00 36.38 34.21 2wdj s VAL 175 CO 0.26 0.55 0.81 -0.63 -0.31 0.00 0.00 175.10 175.79 2wdj s ILE 176 N -0.24 5.20 0.51 -0.62 1.09 -0.90 -4.85 121.20 121.38 2wdj s ILE 176 Ca 0.03 -3.05 0.18 0.00 -1.10 0.00 0.00 60.65 56.71 2wdj s ILE 176 Cb -0.13 -4.21 0.32 0.00 -1.06 0.00 0.00 42.46 37.39 2wdj s ILE 176 CO 0.03 -1.06 2.07 1.55 -0.10 0.00 0.00 174.94 177.43 2wdj h PRO 177 N 7.05 0.08 -0.80 2.79 0.13 -1.96 0.11 132.00 139.40 2wdj h PRO 177 Ca 0.12 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.43 2wdj h PRO 177 Cb 0.94 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.92 2wdj h PRO 177 CO 0.83 0.05 0.05 1.49 -0.23 0.00 0.00 178.00 180.20 2wdj h GLU 178 N 0.08 0.12 -0.04 0.86 4.57 -1.95 -2.90 114.58 115.32 2wdj h GLU 178 Ca 0.13 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2wdj h GLU 178 Cb 0.41 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2wdj h GLU 178 CO -0.01 0.08 0.00 -1.91 -1.18 0.00 0.00 179.01 175.99 2wdj n GLU 179 N -5.33 0.54 -2.38 1.92 4.07 -0.48 -4.99 120.64 113.99 2wdj n GLU 179 Ca 0.16 -1.02 -0.07 0.00 -0.06 0.00 0.00 57.16 56.16 2wdj n GLU 179 Cb 0.54 -1.09 0.01 0.00 -0.06 0.00 0.00 31.44 30.84 2wdj n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wdj n ASN 180 N 0.14 -2.94 -4.92 4.31 3.02 0.26 -4.91 115.26 110.22 2wdj n ASN 180 Ca 0.03 -0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.23 2wdj n ASN 180 Cb 0.17 -2.01 -0.04 0.00 -0.61 0.00 0.00 39.78 37.29 2wdj n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wdj s LEU 181 N -2.40 4.26 -0.07 3.41 1.02 -0.74 -1.51 118.68 122.65 2wdj s LEU 181 Ca 0.07 0.41 -0.02 0.00 0.02 0.00 0.00 54.13 54.61 2wdj s LEU 181 Cb -0.03 -3.16 0.03 0.00 0.02 0.00 0.00 46.19 43.05 2wdj s LEU 181 CO 0.08 0.01 0.05 -0.22 0.02 0.00 0.00 176.35 176.29 2wdj s LEU 182 N -3.09 0.30 -0.15 1.79 2.96 -0.12 -2.12 118.68 118.25 2wdj s LEU 182 Ca 0.38 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2wdj s LEU 182 Cb -0.11 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2wdj s LEU 182 CO 0.28 -0.25 0.15 -0.76 -1.32 0.00 0.00 176.35 174.44 2wdj s LEU 183 N 2.11 4.32 0.00 -0.68 1.02 -1.18 -0.12 118.68 124.15 2wdj s LEU 183 Ca 0.04 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.61 2wdj s LEU 183 Cb -0.13 -2.10 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 2wdj s LEU 183 CO -0.04 0.32 0.06 0.52 0.02 0.00 0.00 176.35 177.23 2wdj n VAL 184 N 2.57 0.00 -2.04 -1.59 0.31 -0.53 -0.68 118.33 116.37 2wdj n VAL 184 Ca -0.18 -0.76 -0.42 0.00 -0.01 0.00 0.00 64.34 62.97 2wdj n VAL 184 Cb 0.54 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 2wdj n VAL 184 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wdj n LYS 185 N -0.26 3.41 0.00 5.55 4.76 -1.17 -1.89 118.16 128.57 2wdj n LYS 185 Ca -0.00 -3.12 0.00 0.00 -2.87 0.00 0.00 58.31 52.32 2wdj n LYS 185 Cb 0.19 -3.03 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 2wdj n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdj n GLY 186 N 3.23 0.00 3.25 0.72 0.00 -0.82 -4.72 105.19 106.85 2wdj n GLY 186 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 2wdj n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 187 N 0.00 2.54 -3.83 4.61 0.00 -1.26 -4.39 120.51 118.18 2wdj n ALA 187 Ca 0.00 -3.12 -0.33 0.00 0.00 0.00 0.00 53.44 49.99 2wdj n ALA 187 Cb 0.00 -3.64 -0.16 0.00 0.00 0.00 0.00 19.45 15.65 2wdj n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj s VAL 188 N 6.44 2.19 0.79 0.00 0.11 -1.26 -4.89 120.40 123.78 2wdj s VAL 188 Ca 0.62 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 2wdj s VAL 188 Cb 0.12 -1.90 0.13 0.00 -1.53 0.00 0.00 36.38 33.20 2wdj s VAL 188 CO 0.17 0.54 0.29 -0.81 -3.33 0.00 0.00 175.10 171.96 2wdj n PRO 189 N 4.33 -0.44 -0.95 1.54 -0.04 -1.26 -4.91 135.00 133.27 2wdj n PRO 189 Ca -0.20 -0.49 0.13 0.00 -0.04 0.00 0.00 63.50 62.89 2wdj n PRO 189 Cb 0.51 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 2wdj n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdj n GLY 190 N -0.21 -1.96 4.00 0.55 0.00 -1.23 -4.82 105.19 101.52 2wdj n GLY 190 Ca 0.05 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 2wdj n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdj s PRO 191 N -1.73 2.89 1.10 1.61 0.04 -1.26 -4.67 135.00 132.98 2wdj s PRO 191 Ca 0.00 -1.19 -0.12 0.00 0.04 0.00 0.00 61.00 59.72 2wdj s PRO 191 Cb 0.00 -2.76 0.25 0.00 0.04 0.00 0.00 34.50 32.02 2wdj s PRO 191 CO 0.00 -0.19 1.05 -0.80 0.04 0.00 0.00 177.00 177.11 2wdj s ASN 192 N -4.30 1.56 0.00 6.66 0.02 -1.26 -2.19 114.94 115.42 2wdj s ASN 192 Ca 0.52 1.46 0.00 0.00 -1.02 0.00 0.00 52.86 53.82 2wdj s ASN 192 Cb -0.10 -2.19 0.00 0.00 0.02 0.00 0.00 41.25 38.98 2wdj s ASN 192 CO 0.32 -3.83 0.00 0.61 0.02 0.00 0.00 177.10 174.22 2wdj n GLY 193 N 0.20 0.00 3.88 0.66 0.00 0.39 -4.90 105.19 105.42 2wdj n GLY 193 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2wdj n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 194 N -1.11 -0.00 3.43 -0.02 0.00 -0.93 -4.81 105.19 101.74 2wdj n GLY 194 Ca 0.00 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 2wdj n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdj s LEU 195 N 0.00 2.98 0.21 0.99 2.96 -1.26 -1.49 118.68 123.08 2wdj s LEU 195 Ca 0.69 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2wdj s LEU 195 Cb -0.03 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 2wdj s LEU 195 CO 0.47 0.15 -0.14 0.68 -1.32 0.00 0.00 176.35 176.19 2wdj s VAL 196 N 0.45 1.76 -0.20 1.68 -7.23 0.30 -4.27 120.40 112.89 2wdj s VAL 196 Ca -0.06 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 57.87 2wdj s VAL 196 Cb -0.15 -2.09 0.06 0.00 0.56 0.00 0.00 36.38 34.76 2wdj s VAL 196 CO 0.04 -0.56 0.02 0.27 -0.31 0.00 0.00 175.10 174.56 2wdj s ILE 197 N -2.96 0.69 0.31 -0.62 -4.36 -1.03 -1.79 121.20 111.45 2wdj s ILE 197 Ca 0.23 -0.66 -0.24 0.00 -0.26 0.00 0.00 60.65 59.72 2wdj s ILE 197 Cb -0.01 -1.16 -0.10 0.00 1.25 0.00 0.00 42.46 42.45 2wdj s ILE 197 CO 0.08 -0.19 0.89 -0.69 0.24 0.00 0.00 174.94 175.27 2wdj s VAL 198 N 1.78 4.32 0.35 8.37 1.01 -1.12 -2.92 120.40 132.19 2wdj s VAL 198 Ca -0.02 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 2wdj s VAL 198 Cb -0.17 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2wdj s VAL 198 CO -0.08 0.10 0.48 0.54 0.00 0.00 0.00 175.10 176.14 2wdj n ARG 199 N 0.44 0.70 -3.39 2.72 1.74 -0.95 -3.25 116.66 114.66 2wdj n ARG 199 Ca 0.02 -2.78 -0.35 0.00 -0.77 0.00 0.00 57.85 53.96 2wdj n ARG 199 Cb 0.51 2.68 -0.06 0.00 -1.02 0.00 0.00 32.46 34.57 2wdj n ARG 199 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2wdj s GLU 200 N -2.80 3.95 1.21 5.56 1.03 -1.25 -1.94 118.70 124.47 2wdj s GLU 200 Ca 0.29 0.45 -0.20 0.00 0.03 0.00 0.00 54.97 55.53 2wdj s GLU 200 Cb -0.01 -2.96 0.31 0.00 -0.80 0.00 0.00 34.13 30.67 2wdj s GLU 200 CO 0.21 0.50 0.93 -2.37 -1.33 0.00 0.00 175.26 173.19 2wdj n THR 201 N 0.87 0.00 -1.58 1.83 5.66 -0.37 -4.49 114.28 116.21 2wdj n THR 201 Ca -0.06 -0.28 0.06 0.00 -3.05 0.00 0.00 64.05 60.73 2wdj n THR 201 Cb 0.52 -1.10 0.18 0.00 -1.55 0.00 0.00 70.33 68.38 2wdj n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wdj n LYS 202 N -4.93 1.40 0.27 1.09 4.01 -1.26 -4.50 118.16 114.24 2wdj n LYS 202 Ca 0.13 -3.06 0.15 0.00 -0.51 0.00 0.00 58.31 55.03 2wdj n LYS 202 Cb 0.54 -1.47 0.68 0.00 -0.51 0.00 0.00 35.03 34.28 2wdj n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2wdj h LYS 203 N 0.82 0.00 0.00 1.97 5.09 -1.96 -3.33 116.57 119.16 2wdj h LYS 203 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2wdj h LYS 203 Cb 1.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.40 2wdj h LYS 203 CO 0.01 0.07 -0.94 0.00 -2.09 0.00 0.00 179.45 176.50 2wdj n ALA 204 N -2.15 2.60 0.00 0.07 0.00 -1.26 -5.25 120.51 114.52 2wdj n ALA 204 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdj n ALA 204 Cb 0.31 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.23 2wdj n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50