#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n VAL 3 N 0.00 0.00 1.07 5.15 0.31 -1.26 -4.73 118.33 118.88 2wdj n VAL 3 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2wdj n VAL 3 Cb 0.00 -0.28 0.38 0.00 -0.91 0.00 0.00 33.84 33.03 2wdj n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdj n LYS 4 N -1.95 0.18 -1.37 5.55 2.85 -1.26 -4.96 118.16 117.20 2wdj n LYS 4 Ca 0.00 -0.09 -0.45 0.00 -1.05 0.00 0.00 58.31 56.72 2wdj n LYS 4 Cb 0.01 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.88 2wdj n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2wdj n MET 5 N -1.33 0.08 -3.58 -1.58 2.81 -1.26 -5.00 117.12 107.25 2wdj n MET 5 Ca 0.08 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.91 2wdj n MET 5 Cb 0.33 -1.06 -0.04 0.00 -0.71 0.00 0.00 33.22 31.74 2wdj n MET 5 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2wdj s HIS 6 N -1.29 -0.29 0.00 2.03 -3.43 -1.26 -5.12 115.29 105.93 2wdj s HIS 6 Ca 0.62 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 2wdj s HIS 6 Cb -0.79 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 30.83 2wdj s HIS 6 CO 0.59 -0.31 0.00 1.33 -2.00 0.00 0.00 174.74 174.35 2wdj n VAL 7 N 0.48 0.00 -0.85 -5.38 0.24 -1.26 -4.81 118.33 106.74 2wdj n VAL 7 Ca -0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.12 2wdj n VAL 7 Cb 0.59 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.04 2wdj n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wdj n LYS 8 N 0.00 -1.49 -0.63 7.34 4.01 -1.26 -5.09 118.16 121.04 2wdj n LYS 8 Ca 0.00 -0.67 0.00 0.00 -0.51 0.00 0.00 58.31 57.13 2wdj n LYS 8 Cb 0.00 -0.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.94 2wdj n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wdj n LYS 9 N -2.57 0.00 -0.89 1.97 2.85 -1.26 -5.04 118.16 113.22 2wdj n LYS 9 Ca 0.06 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.97 2wdj n LYS 9 Cb 0.22 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.55 2wdj n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wdj n GLY 10 N 0.00 2.44 0.00 2.58 0.00 -1.26 -4.34 105.19 104.61 2wdj n GLY 10 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2wdj n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdj n ASP 11 N 6.58 0.61 -4.37 1.61 5.68 -1.26 -4.82 116.55 120.57 2wdj n ASP 11 Ca 0.44 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.40 2wdj n ASP 11 Cb 0.30 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.14 2wdj n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wdj s THR 12 N 1.54 3.15 0.36 2.12 2.01 -1.26 0.45 115.64 124.01 2wdj s THR 12 Ca 0.00 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.44 2wdj s THR 12 Cb 0.00 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2wdj s THR 12 CO 0.00 0.51 0.22 0.68 -0.69 0.00 0.00 174.62 175.34 2wdj s VAL 13 N 0.51 0.22 0.27 3.82 -7.23 -0.98 -4.22 120.40 112.79 2wdj s VAL 13 Ca -0.08 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.21 2wdj s VAL 13 Cb -0.15 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2wdj s VAL 13 CO 0.04 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.42 2wdj s LEU 14 N -3.46 2.59 0.32 1.32 2.96 -0.65 -2.90 118.68 118.86 2wdj s LEU 14 Ca 0.34 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2wdj s LEU 14 Cb 0.02 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 2wdj s LEU 14 CO 0.22 0.00 0.16 -0.69 -1.32 0.00 0.00 176.35 174.73 2wdj s VAL 15 N -2.57 3.35 0.00 1.68 1.01 -0.94 -0.41 120.40 122.52 2wdj s VAL 15 Ca 0.29 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2wdj s VAL 15 Cb -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2wdj s VAL 15 CO 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 175.10 175.03 2wdj n ALA 16 N -1.17 0.27 -1.00 5.51 0.00 -0.31 -3.41 120.51 120.40 2wdj n ALA 16 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wdj n ALA 16 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wdj n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdj n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.14 -4.83 113.62 111.07 2wdj n SER 17 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2wdj n SER 17 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2wdj n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdj n GLY 18 N -0.08 -2.16 0.00 5.00 0.00 -1.26 -4.80 105.19 101.89 2wdj n GLY 18 Ca 0.00 0.70 0.02 0.00 0.00 0.00 0.00 46.02 46.74 2wdj n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdj n LYS 19 N -0.64 0.09 -0.40 1.61 4.81 -1.26 -0.21 118.16 122.16 2wdj n LYS 19 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2wdj n LYS 19 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2wdj n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wdj n TYR 20 N -1.04 0.00 -1.63 5.64 4.02 -1.26 -4.99 117.16 117.89 2wdj n TYR 20 Ca 0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.45 2wdj n TYR 20 Cb 0.01 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 2wdj n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wdj n LYS 21 N 0.00 1.70 0.00 -0.72 3.00 0.70 -1.90 118.16 120.94 2wdj n LYS 21 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 2wdj n LYS 21 Cb 0.65 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2wdj n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wdj n GLY 22 N 2.14 3.02 3.67 3.14 0.00 -1.22 -4.95 105.19 110.99 2wdj n GLY 22 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wdj n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdj s ARG 23 N -0.08 0.38 -0.03 1.61 0.52 -0.80 -4.79 118.95 115.76 2wdj s ARG 23 Ca 0.00 0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 55.66 2wdj s ARG 23 Cb 0.00 -1.73 0.01 0.00 0.52 0.00 0.00 34.95 33.75 2wdj s ARG 23 CO 0.00 -2.77 0.21 0.08 0.02 0.00 0.00 175.30 172.83 2wdj s VAL 24 N -2.94 0.05 0.02 3.52 1.01 -1.26 -2.20 120.40 118.60 2wdj s VAL 24 Ca 0.65 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2wdj s VAL 24 Cb -0.19 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 35.86 2wdj s VAL 24 CO 0.58 -0.22 1.03 -0.83 0.00 0.00 0.00 175.10 175.66 2wdj s GLY 25 N -0.82 -0.35 0.00 4.51 0.00 -1.14 -4.94 107.32 104.58 2wdj s GLY 25 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2wdj s GLY 25 CO 0.02 0.21 0.00 1.17 0.00 0.00 0.00 173.10 174.49 2wdj n LYS 26 N -0.35 3.50 -1.43 2.90 4.81 -1.26 -2.31 118.16 124.02 2wdj n LYS 26 Ca -0.06 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.93 2wdj n LYS 26 Cb 0.61 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.65 2wdj n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdj n VAL 27 N 0.00 1.67 -0.18 3.15 0.31 0.17 -4.27 118.33 119.17 2wdj n VAL 27 Ca 0.00 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 2wdj n VAL 27 Cb 0.00 -0.33 0.06 0.00 -0.91 0.00 0.00 33.84 32.66 2wdj n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wdj n LYS 28 N 0.89 2.80 -3.05 5.55 0.00 -1.26 -2.30 118.16 120.80 2wdj n LYS 28 Ca 0.13 -1.79 -0.12 0.00 -0.00 0.00 0.00 58.31 56.52 2wdj n LYS 28 Cb 0.33 -1.15 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 2wdj n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdj n GLU 29 N -0.33 -0.75 -0.93 -1.58 4.71 -1.26 0.04 120.64 120.53 2wdj n GLU 29 Ca 0.05 0.38 -0.33 0.00 -0.01 0.00 0.00 57.16 57.25 2wdj n GLU 29 Cb 0.36 -1.04 0.12 0.00 -1.01 0.00 0.00 31.44 29.86 2wdj n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wdj n VAL 30 N -1.41 0.77 0.00 2.62 0.31 -1.26 -4.61 118.33 114.75 2wdj n VAL 30 Ca -0.15 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2wdj n VAL 30 Cb 0.33 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2wdj n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wdj n LEU 31 N -1.91 1.99 -1.32 7.52 7.99 -1.23 -4.99 117.00 125.05 2wdj n LEU 31 Ca 0.09 0.02 -0.06 0.00 -0.01 0.00 0.00 56.01 56.06 2wdj n LEU 31 Cb 0.52 -0.03 0.21 0.00 -0.11 0.00 0.00 43.42 44.00 2wdj n LEU 31 CO 0.50 -0.03 0.80 -0.81 -1.51 0.00 0.00 177.39 176.33 2wdj n PRO 32 N -0.88 2.12 -0.19 3.23 -0.04 -1.26 -4.98 135.00 132.99 2wdj n PRO 32 Ca 0.00 -3.11 0.01 0.00 -0.04 0.00 0.00 63.50 60.35 2wdj n PRO 32 Cb 0.00 -1.89 0.10 0.00 -0.04 0.00 0.00 33.50 31.67 2wdj n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdj h LYS 33 N 1.17 0.21 -0.01 0.54 1.57 -1.94 0.75 116.57 118.86 2wdj h LYS 33 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2wdj h LYS 33 Cb 1.84 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.11 2wdj h LYS 33 CO 0.49 0.14 -0.12 1.17 -0.57 0.00 0.00 179.45 180.56 2wdj n LYS 34 N -5.16 1.46 -3.46 3.15 4.81 -1.26 -4.96 118.16 112.73 2wdj n LYS 34 Ca 0.09 -0.95 -0.20 0.00 -0.87 0.00 0.00 58.31 56.38 2wdj n LYS 34 Cb 0.32 -1.48 0.08 0.00 0.02 0.00 0.00 35.03 33.98 2wdj n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2wdj n TYR 35 N 0.06 -2.44 -4.05 5.64 9.36 0.26 -4.92 117.16 121.06 2wdj n TYR 35 Ca 0.15 0.94 -0.02 0.00 3.32 0.00 0.00 57.90 62.29 2wdj n TYR 35 Cb 0.39 -4.92 -0.01 0.00 -0.63 0.00 0.00 39.34 34.18 2wdj n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdj n ALA 36 N -4.46 0.04 -2.75 2.98 0.00 -1.26 -1.09 120.51 113.96 2wdj n ALA 36 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2wdj n ALA 36 Cb 0.61 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2wdj n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdj n VAL 37 N -0.08 0.00 0.00 0.00 0.24 -1.05 -3.52 118.33 113.92 2wdj n VAL 37 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2wdj n VAL 37 Cb 0.05 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2wdj n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wdj n ILE 38 N 0.00 0.00 0.00 1.34 2.08 0.11 -4.03 119.36 118.85 2wdj n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wdj n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2wdj n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wdj n VAL 39 N -0.37 0.00 -1.42 1.39 0.31 -0.97 -4.08 118.33 113.18 2wdj n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdj n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdj n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdj n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.61 120.64 119.73 2wdj n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdj n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdj n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdj n GLY 41 N 0.00 -2.67 3.59 0.62 0.00 -1.26 -4.82 105.19 100.65 2wdj n GLY 41 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2wdj n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdj n VAL 42 N 0.00 2.03 -0.60 1.61 0.31 -1.26 -4.80 118.33 115.61 2wdj n VAL 42 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wdj n VAL 42 Cb 0.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2wdj n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wdj n ASN 43 N 1.17 0.00 0.00 4.52 4.13 -1.26 0.13 115.26 123.94 2wdj n ASN 43 Ca 0.10 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.01 2wdj n ASN 43 Cb 0.33 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 2wdj n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wdj n ILE 44 N 0.00 0.00 -2.74 2.41 5.41 -1.26 -4.00 119.36 119.19 2wdj n ILE 44 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 2wdj n ILE 44 Cb 0.09 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.96 2wdj n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdj s VAL 45 N 0.00 4.20 0.00 1.39 1.01 -1.26 -4.62 120.40 121.12 2wdj s VAL 45 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2wdj s VAL 45 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2wdj s VAL 45 CO 0.00 -0.27 0.00 0.29 0.00 0.00 0.00 175.10 175.12 2wdj n LYS 46 N -0.67 0.00 -0.01 2.72 5.02 -1.26 -5.09 118.16 118.87 2wdj n LYS 46 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2wdj n LYS 46 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2wdj n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2wdj n LYS 47 N 0.00 0.00 -1.51 1.97 -0.00 -1.26 -5.04 118.16 112.32 2wdj n LYS 47 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 2wdj n LYS 47 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 2wdj n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdj n ALA 48 N 0.00 0.42 1.04 0.58 0.00 -1.23 -4.73 120.51 116.59 2wdj n ALA 48 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.10 2wdj n ALA 48 Cb 0.05 -2.51 0.34 0.00 0.00 0.00 0.00 19.45 17.32 2wdj n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdj n VAL 49 N 7.63 0.25 0.00 0.00 0.31 -1.26 -0.70 118.33 124.56 2wdj n VAL 49 Ca 0.59 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2wdj n VAL 49 Cb 0.16 0.56 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2wdj n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdj n ARG 50 N 0.61 0.00 -0.01 5.55 1.74 -1.26 -3.51 116.66 119.78 2wdj n ARG 50 Ca 0.17 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2wdj n ARG 50 Cb 0.40 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.08 2wdj n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wdj n VAL 51 N -0.48 0.00 0.00 1.55 0.31 -1.26 -3.33 118.33 115.12 2wdj n VAL 51 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 2wdj n VAL 51 Cb 0.00 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 2wdj n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wdj n SER 52 N -2.70 0.00 -1.09 4.52 3.41 -1.26 -5.04 113.62 111.45 2wdj n SER 52 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wdj n SER 52 Cb 1.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 2wdj n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wdj n PRO 53 N 0.00 0.00 -2.16 4.33 -0.02 -1.21 -4.74 135.00 131.21 2wdj n PRO 53 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2wdj n PRO 53 Cb 0.00 -0.30 -0.02 0.00 -0.02 0.00 0.00 33.50 33.16 2wdj n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdj s LYS 54 N 0.44 3.41 0.22 -0.52 2.20 -1.26 -4.10 119.74 120.13 2wdj s LYS 54 Ca 0.00 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 2wdj s LYS 54 Cb 0.00 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 2wdj s LYS 54 CO 0.00 -1.77 0.00 2.48 -0.36 0.00 0.00 175.35 175.70 2wdj n TYR 55 N 9.74 -4.78 0.00 4.03 0.18 -1.26 -4.94 117.16 120.13 2wdj n TYR 55 Ca 0.20 2.85 0.00 0.00 1.88 0.00 0.00 57.90 62.82 2wdj n TYR 55 Cb 0.47 -3.51 0.00 0.00 -0.38 0.00 0.00 39.34 35.92 2wdj n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2wdj n PRO 56 N 1.82 0.00 0.00 -3.48 -0.02 -1.26 -4.88 135.00 127.18 2wdj n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wdj n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2wdj n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wdj n GLN 57 N -0.12 1.52 0.00 -0.52 6.02 -1.26 -4.54 117.38 118.48 2wdj n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wdj n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wdj n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdj n GLY 58 N 0.00 0.00 0.00 1.08 0.00 -1.11 -4.64 105.19 100.52 2wdj n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 59 N 2.80 1.92 0.04 -0.02 0.00 0.12 -4.84 105.19 105.21 2wdj n GLY 59 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.11 2wdj n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdj n PHE 60 N 2.00 0.00 0.11 1.61 3.01 -1.26 -3.48 117.46 119.45 2wdj n PHE 60 Ca 0.00 -0.55 -0.04 0.00 1.01 0.00 0.00 57.45 57.87 2wdj n PHE 60 Cb 0.00 -0.07 0.08 0.00 -0.01 0.00 0.00 39.48 39.48 2wdj n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2wdj h ILE 61 N 0.59 1.49 -1.01 4.37 1.08 -1.97 -3.42 117.51 118.64 2wdj h ILE 61 Ca 0.00 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 2wdj h ILE 61 Cb 0.71 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2wdj h ILE 61 CO 0.00 0.69 0.00 -0.62 -0.69 0.00 0.00 178.15 177.53 2wdj n GLU 62 N -3.71 0.00 -2.52 2.37 4.71 -1.26 -4.92 120.64 115.30 2wdj n GLU 62 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.08 2wdj n GLU 62 Cb 0.71 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.13 2wdj n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdj n LYS 63 N -0.09 0.32 -1.86 3.49 5.02 -1.26 -5.12 118.16 118.66 2wdj n LYS 63 Ca 0.00 -1.14 -0.40 0.00 -2.02 0.00 0.00 58.31 54.75 2wdj n LYS 63 Cb 0.00 1.13 0.01 0.00 -0.02 0.00 0.00 35.03 36.15 2wdj n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wdj s GLU 64 N -2.30 3.73 -0.43 1.97 8.01 -1.26 -4.18 118.70 124.25 2wdj s GLU 64 Ca 0.11 2.35 -0.08 0.00 0.01 0.00 0.00 54.97 57.37 2wdj s GLU 64 Cb -0.01 -2.66 0.09 0.00 -4.31 0.00 0.00 34.13 27.25 2wdj s GLU 64 CO 0.08 -0.76 0.26 0.00 0.01 0.00 0.00 175.26 174.85 2wdj s ALA 65 N -1.22 3.27 0.00 5.21 0.00 0.34 -4.86 121.76 124.50 2wdj s ALA 65 Ca 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2wdj s ALA 65 Cb -0.42 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2wdj s ALA 65 CO 0.54 -1.73 0.00 -2.30 0.00 0.00 0.00 175.76 172.27 2wdj n PRO 66 N 4.83 0.00 -1.68 0.00 -0.02 -1.26 -4.42 135.00 132.46 2wdj n PRO 66 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wdj n PRO 66 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2wdj n PRO 66 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2wdj n LEU 67 N -0.59 -2.94 -3.28 2.45 -0.00 -1.26 -2.92 117.00 108.47 2wdj n LEU 67 Ca 0.00 2.75 -0.31 0.00 -0.00 0.00 0.00 56.01 58.45 2wdj n LEU 67 Cb 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 43.42 40.43 2wdj n LEU 67 CO 0.00 0.11 -0.38 1.57 -0.00 0.00 0.00 177.39 178.68 2wdj n HIS 68 N -0.46 -1.80 0.68 1.47 -0.00 -1.26 -2.52 115.22 111.32 2wdj n HIS 68 Ca 0.00 0.44 0.07 0.00 -0.00 0.00 0.00 57.72 58.23 2wdj n HIS 68 Cb 0.00 -1.34 0.19 0.00 -0.00 0.00 0.00 29.99 28.84 2wdj n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdj n ALA 69 N -0.89 2.43 0.40 1.57 0.00 -0.25 -3.42 120.51 120.34 2wdj n ALA 69 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 53.44 52.84 2wdj n ALA 69 Cb 0.32 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2wdj n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdj n SER 70 N 0.72 0.87 0.19 0.00 2.88 -1.26 -4.35 113.62 112.67 2wdj n SER 70 Ca 0.14 -0.61 0.13 0.00 -1.33 0.00 0.00 58.87 57.21 2wdj n SER 70 Cb 0.35 1.09 0.38 0.00 -0.75 0.00 0.00 64.21 65.28 2wdj n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wdj h LYS 71 N 0.00 0.00 -6.15 -1.46 1.79 -1.92 -3.46 116.57 105.37 2wdj h LYS 71 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2wdj h LYS 71 Cb 0.29 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2wdj h LYS 71 CO 0.00 0.00 -0.48 0.14 -1.08 0.00 0.00 179.45 178.03 2wdj s VAL 72 N -3.29 5.01 0.18 0.50 -7.23 -1.26 -1.16 120.40 113.15 2wdj s VAL 72 Ca 0.06 -1.00 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2wdj s VAL 72 Cb 0.08 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 2wdj s VAL 72 CO 0.59 -0.24 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.89 2wdj s ARG 73 N -3.63 1.20 0.96 4.82 0.52 0.45 -4.94 118.95 118.33 2wdj s ARG 73 Ca 0.33 -1.53 -0.14 0.00 -0.52 0.00 0.00 55.73 53.88 2wdj s ARG 73 Cb -0.09 -0.87 0.17 0.00 0.52 0.00 0.00 34.95 34.67 2wdj s ARG 73 CO 0.27 0.12 1.16 -1.25 0.02 0.00 0.00 175.30 175.63 2wdj s PRO 74 N -3.70 0.77 -0.29 3.54 0.04 -1.26 -1.63 135.00 132.46 2wdj s PRO 74 Ca 0.20 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.22 2wdj s PRO 74 Cb 0.01 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.89 2wdj s PRO 74 CO 0.04 -2.42 0.99 -1.50 0.04 0.00 0.00 177.00 174.15 2wdj s ILE 75 N -3.33 -0.01 -0.26 0.56 2.07 -1.26 -2.70 121.20 116.26 2wdj s ILE 75 Ca 0.66 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.64 2wdj s ILE 75 Cb -0.13 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.59 2wdj s ILE 75 CO 0.54 0.00 1.02 0.00 -1.91 0.00 0.00 174.94 174.59 2wdj n PRO 77 N 1.99 -0.55 0.00 0.00 -0.02 -1.26 -3.97 135.00 131.19 2wdj n PRO 77 Ca -0.12 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 2wdj n PRO 77 Cb 0.56 0.49 0.00 0.00 -0.02 0.00 0.00 33.50 34.53 2wdj n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdj n ALA 78 N -0.71 0.00 0.00 3.55 0.00 -1.26 -5.04 120.51 117.04 2wdj n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdj n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdj n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n GLY 80 N -0.14 2.01 1.10 0.00 0.00 -1.10 -4.93 105.19 102.14 2wdj n GLY 80 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wdj n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 81 N 13.07 -3.14 0.00 1.61 5.02 -1.26 -4.08 118.16 129.38 2wdj n LYS 81 Ca 0.00 2.31 0.00 0.00 -2.02 0.00 0.00 58.31 58.60 2wdj n LYS 81 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 2wdj n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wdj n PRO 82 N -0.58 -0.93 -4.23 1.97 -0.02 -1.26 -4.61 135.00 125.34 2wdj n PRO 82 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2wdj n PRO 82 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2wdj n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wdj s THR 83 N -0.68 0.38 0.18 3.45 -4.23 -1.26 -4.12 115.64 109.37 2wdj s THR 83 Ca 0.00 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2wdj s THR 83 Cb 0.00 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2wdj s THR 83 CO 0.00 -0.28 0.14 0.54 -0.54 0.00 0.00 174.62 174.48 2wdj n ARG 84 N -0.26 0.28 -4.40 3.99 1.74 0.28 -4.96 116.66 113.33 2wdj n ARG 84 Ca -0.03 -1.81 -0.19 0.00 -0.77 0.00 0.00 57.85 55.05 2wdj n ARG 84 Cb 0.64 1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 33.36 2wdj n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wdj s VAL 85 N -2.69 0.77 0.29 1.55 1.01 -1.26 -2.32 120.40 117.74 2wdj s VAL 85 Ca 0.20 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.90 2wdj s VAL 85 Cb 0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2wdj s VAL 85 CO 0.14 0.23 -0.15 -0.60 0.00 0.00 0.00 175.10 174.72 2wdj s ARG 86 N -0.08 1.80 -0.13 2.72 3.52 0.20 -4.91 118.95 122.07 2wdj s ARG 86 Ca 0.01 -1.74 -0.24 0.00 -0.13 0.00 0.00 55.73 53.63 2wdj s ARG 86 Cb -0.05 -1.82 -0.21 0.00 -1.56 0.00 0.00 34.95 31.30 2wdj s ARG 86 CO -0.00 0.30 0.62 1.57 -0.81 0.00 0.00 175.30 176.98 2wdj h LYS 87 N 2.16 0.00 0.00 5.12 2.10 -1.87 -3.26 116.57 120.82 2wdj h LYS 87 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2wdj h LYS 87 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2wdj h LYS 87 CO 0.62 0.82 0.00 1.63 -2.00 0.00 0.00 179.45 180.52 2wdj n LYS 88 N -4.64 0.00 -1.96 0.07 4.01 -1.26 -2.14 118.16 112.25 2wdj n LYS 88 Ca -0.09 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.56 2wdj n LYS 88 Cb 0.40 -2.08 -0.03 0.00 -0.51 0.00 0.00 35.03 32.81 2wdj n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wdj n PHE 89 N -2.00 -0.44 0.00 2.13 7.35 -1.26 -4.49 117.46 118.75 2wdj n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdj n PHE 89 Cb 0.00 -2.92 0.00 0.00 0.35 0.00 0.00 39.48 36.91 2wdj n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2wdj n LEU 90 N -1.96 0.00 0.00 -2.13 -0.00 -1.24 -5.16 117.00 106.51 2wdj n LEU 90 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2wdj n LEU 90 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2wdj n LEU 90 CO 0.21 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.98 2wdj n GLU 91 N 0.00 0.00 -3.64 1.47 -0.58 -0.91 -5.19 120.64 111.79 2wdj n GLU 91 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2wdj n GLU 91 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 2wdj n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2wdj s ASN 92 N 2.00 -0.72 0.04 1.62 2.47 -1.25 -4.41 114.94 114.69 2wdj s ASN 92 Ca 0.00 1.38 -0.27 0.00 0.42 0.00 0.00 52.86 54.38 2wdj s ASN 92 Cb 0.00 1.39 0.07 0.00 -1.45 0.00 0.00 41.25 41.27 2wdj s ASN 92 CO 0.00 -0.24 0.67 -0.83 -3.72 0.00 0.00 177.10 172.98 2wdj s GLY 93 N 0.39 -0.58 -0.08 1.21 0.00 -1.23 -5.00 107.32 102.04 2wdj s GLY 93 Ca -0.00 0.98 -0.12 0.00 0.00 0.00 0.00 44.72 45.58 2wdj s GLY 93 CO 0.00 0.59 0.30 -1.59 0.00 0.00 0.00 173.10 172.40 2wdj s LYS 94 N -2.36 3.88 -0.05 2.90 -2.85 -1.26 -0.63 119.74 119.37 2wdj s LYS 94 Ca -0.05 0.16 0.05 0.00 -1.00 0.00 0.00 55.97 55.14 2wdj s LYS 94 Cb -0.00 -3.27 -0.01 0.00 -2.06 0.00 0.00 37.83 32.48 2wdj s LYS 94 CO -0.01 0.58 -0.21 0.15 0.10 0.00 0.00 175.35 175.96 2wdj s LYS 95 N -0.60 2.16 0.00 1.78 1.02 -0.98 -1.36 119.74 121.76 2wdj s LYS 95 Ca 0.19 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.42 2wdj s LYS 95 Cb -0.14 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 2wdj s LYS 95 CO 0.08 0.32 0.00 -0.89 -0.92 0.00 0.00 175.35 173.94 2wdj n ILE 96 N 3.01 0.00 -3.21 2.17 5.41 -1.26 -0.56 119.36 124.92 2wdj n ILE 96 Ca -0.18 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.12 2wdj n ILE 96 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 2wdj n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wdj s ARG 97 N 0.00 3.75 -0.54 0.38 6.06 -1.26 -4.36 118.95 122.98 2wdj s ARG 97 Ca 0.00 -2.46 -0.03 0.00 -2.50 0.00 0.00 55.73 50.75 2wdj s ARG 97 Cb 0.00 -4.61 -0.03 0.00 0.06 0.00 0.00 34.95 30.36 2wdj s ARG 97 CO 0.00 -1.43 0.47 0.28 -2.50 0.00 0.00 175.30 172.13 2wdj n VAL 98 N 4.13 -5.02 0.00 7.11 0.31 -1.26 -5.00 118.33 118.60 2wdj n VAL 98 Ca 0.20 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2wdj n VAL 98 Cb 0.46 -4.72 0.00 0.00 -0.91 0.00 0.00 33.84 28.66 2wdj n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdj n ALA 100 N -3.00 0.00 -0.66 0.00 0.00 -1.26 -4.51 120.51 111.09 2wdj n ALA 100 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2wdj n ALA 100 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wdj n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdj n LYS 101 N -0.51 -1.23 0.00 0.00 4.81 -0.47 -4.39 118.16 116.37 2wdj n LYS 101 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2wdj n LYS 101 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.50 2wdj n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57