#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n PHE 2 N 0.00 0.00 0.00 2.03 7.35 -1.26 -4.68 117.46 120.90 2wdn n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdn n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2wdn n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdn n ALA 3 N -3.00 -0.05 -3.26 3.13 0.00 -1.26 -4.11 120.51 111.96 2wdn n ALA 3 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2wdn n ALA 3 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 2wdn n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wdn s ILE 4 N -2.14 0.01 0.63 0.00 1.01 0.77 -3.25 121.20 118.23 2wdn s ILE 4 Ca 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 60.65 58.30 2wdn s ILE 4 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2wdn s ILE 4 CO 0.00 -0.94 1.09 0.54 0.00 0.00 0.00 174.94 175.63 2wdn s VAL 5 N 0.32 3.45 -0.04 2.92 0.11 -0.85 -1.83 120.40 124.48 2wdn s VAL 5 Ca 0.31 0.68 0.06 0.00 -2.93 0.00 0.00 61.98 60.10 2wdn s VAL 5 Cb 0.01 -3.21 -0.02 0.00 -1.53 0.00 0.00 36.38 31.64 2wdn s VAL 5 CO -0.15 -0.41 -0.22 -0.75 -3.33 0.00 0.00 175.10 170.23 2wdn s LYS 6 N -4.08 2.35 -0.26 1.54 2.20 -1.17 -0.65 119.74 119.66 2wdn s LYS 6 Ca 0.66 -0.85 -0.36 0.00 -0.36 0.00 0.00 55.97 55.06 2wdn s LYS 6 Cb -0.19 -2.18 0.16 0.00 -1.51 0.00 0.00 37.83 34.11 2wdn s LYS 6 CO 0.40 0.53 1.32 -0.08 -0.36 0.00 0.00 175.35 177.16 2wdn s THR 7 N -0.52 0.00 -0.60 3.43 -1.32 0.15 -4.72 115.64 112.06 2wdn s THR 7 Ca 0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2wdn s THR 7 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2wdn s THR 7 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2wdn n GLY 8 N 0.09 0.54 0.85 6.08 0.00 -1.26 -1.09 105.19 110.40 2wdn n GLY 8 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wdn n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 9 N 0.61 0.79 2.69 -0.02 0.00 -1.26 -4.99 105.19 103.01 2wdn n GLY 9 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2wdn n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdn n LYS 10 N -2.00 0.84 -4.14 1.61 5.02 -0.25 -5.17 118.16 114.07 2wdn n LYS 10 Ca 0.00 -2.75 -0.09 0.00 -2.02 0.00 0.00 58.31 53.44 2wdn n LYS 10 Cb 0.00 1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 36.04 2wdn n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wdn s GLN 11 N -3.30 0.77 0.20 1.97 -0.21 -1.26 0.31 119.66 118.14 2wdn s GLN 11 Ca 0.09 -1.31 -0.01 0.00 0.02 0.00 0.00 55.36 54.15 2wdn s GLN 11 Cb 0.00 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 2wdn s GLN 11 CO 0.06 -0.07 0.11 0.71 -2.12 0.00 0.00 175.29 173.98 2wdn s TYR 12 N -3.76 1.18 -0.94 0.91 2.02 0.18 -4.97 117.35 111.97 2wdn s TYR 12 Ca 0.11 -1.32 -0.06 0.00 -0.37 0.00 0.00 57.07 55.44 2wdn s TYR 12 Cb 0.06 -0.61 0.23 0.00 -0.40 0.00 0.00 41.96 41.25 2wdn s TYR 12 CO -0.06 -0.56 0.86 0.50 -1.57 0.00 0.00 175.55 174.72 2wdn s ARG 13 N -4.12 3.56 0.93 -0.62 3.52 -1.26 -2.00 118.95 118.96 2wdn s ARG 13 Ca 0.36 -3.10 -0.14 0.00 -0.13 0.00 0.00 55.73 52.72 2wdn s ARG 13 Cb 0.07 -4.19 0.15 0.00 -1.56 0.00 0.00 34.95 29.42 2wdn s ARG 13 CO 0.11 -1.25 1.18 0.14 -0.81 0.00 0.00 175.30 174.67 2wdn s VAL 14 N -1.04 1.96 0.25 7.11 -7.23 -1.20 -4.98 120.40 115.27 2wdn s VAL 14 Ca 0.27 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.37 2wdn s VAL 14 Cb -0.10 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.04 2wdn s VAL 14 CO -0.10 0.00 0.45 -0.62 -0.31 0.00 0.00 175.10 174.53 2wdn n GLU 15 N -3.76 0.65 0.00 4.82 1.02 -1.26 -4.16 120.64 117.95 2wdn n GLU 15 Ca 0.09 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 2wdn n GLU 15 Cb 0.60 1.82 0.00 0.00 -0.02 0.00 0.00 31.44 33.84 2wdn n GLU 15 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdn n PRO 16 N -0.36 0.00 -3.72 3.49 -0.02 -1.26 -4.46 135.00 128.66 2wdn n PRO 16 Ca -0.04 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 2wdn n PRO 16 Cb 0.39 -0.12 -0.13 0.00 -0.02 0.00 0.00 33.50 33.63 2wdn n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdn s GLY 17 N -0.19 -0.16 0.00 -1.23 0.00 -1.24 -3.62 107.32 100.89 2wdn s GLY 17 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 2wdn s GLY 17 CO 0.00 1.35 0.00 1.47 0.00 0.00 0.00 173.10 175.92 2wdn n LEU 18 N 4.33 0.00 -1.09 0.66 -0.00 -1.26 -4.90 117.00 114.73 2wdn n LEU 18 Ca -0.24 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.81 2wdn n LEU 18 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 2wdn n LEU 18 CO 0.13 0.00 -0.24 1.17 -0.00 0.00 0.00 177.39 178.45 2wdn n LYS 19 N -0.40 -1.59 0.00 1.47 3.00 -1.26 -4.60 118.16 114.78 2wdn n LYS 19 Ca 0.00 1.27 0.00 0.00 -0.00 0.00 0.00 58.31 59.58 2wdn n LYS 19 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.06 2wdn n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2wdn n LEU 20 N -2.88 0.00 -4.95 3.14 4.32 -1.26 -4.83 117.00 110.55 2wdn n LEU 20 Ca -0.02 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.72 2wdn n LEU 20 Cb 0.25 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.02 2wdn n LEU 20 CO 0.01 0.00 -0.05 -0.13 -1.22 0.00 0.00 177.39 175.99 2wdn s ARG 21 N 2.54 3.45 -0.32 3.23 3.00 -1.26 -2.86 118.95 126.74 2wdn s ARG 21 Ca 0.00 -0.58 0.17 0.00 0.00 0.00 0.00 55.73 55.32 2wdn s ARG 21 Cb 0.00 -2.92 0.45 0.00 0.00 0.00 0.00 34.95 32.48 2wdn s ARG 21 CO 0.00 0.47 1.22 1.33 0.00 0.00 0.00 175.30 178.32 2wdn n VAL 22 N -0.81 0.66 -1.05 3.52 0.24 -0.65 -4.90 118.33 115.35 2wdn n VAL 22 Ca -0.07 -2.23 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 2wdn n VAL 22 Cb 0.55 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2wdn n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdn n GLU 23 N -0.70 -2.77 -0.45 7.34 -0.58 -1.26 -4.35 120.64 117.87 2wdn n GLU 23 Ca -0.00 2.04 -0.16 0.00 -0.42 0.00 0.00 57.16 58.63 2wdn n GLU 23 Cb 0.83 -2.17 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 2wdn n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdn n LYS 24 N 0.26 0.00 -3.97 3.49 4.76 -1.24 -4.43 118.16 117.03 2wdn n LYS 24 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2wdn n LYS 24 Cb 0.00 -0.33 -0.15 0.00 -1.84 0.00 0.00 35.03 32.70 2wdn n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdn s LEU 25 N 0.85 1.51 0.00 -0.35 1.43 -1.26 -4.96 118.68 115.90 2wdn s LEU 25 Ca 0.21 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2wdn s LEU 25 Cb -0.30 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.72 2wdn s LEU 25 CO 0.18 -0.04 0.75 -0.67 0.23 0.00 0.00 176.35 176.79 2wdn n ASP 26 N 3.68 2.10 -4.64 2.29 2.03 -1.26 -4.75 116.55 116.00 2wdn n ASP 26 Ca -0.21 -1.34 -0.38 0.00 0.52 0.00 0.00 54.79 53.38 2wdn n ASP 26 Cb 0.54 -0.40 -0.09 0.00 -0.72 0.00 0.00 41.12 40.45 2wdn n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wdn s ALA 27 N 0.66 3.57 1.01 -1.67 0.00 -1.26 -5.07 121.76 119.00 2wdn s ALA 27 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 2wdn s ALA 27 Cb 0.00 -2.57 -0.16 0.00 0.00 0.00 0.00 23.12 20.39 2wdn s ALA 27 CO 0.00 -0.43 -1.18 0.39 0.00 0.00 0.00 175.76 174.54 2wdn n GLU 28 N 4.79 -0.11 0.00 0.00 1.02 -1.26 -4.84 120.64 120.25 2wdn n GLU 28 Ca -0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2wdn n GLU 28 Cb 0.51 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2wdn n GLU 28 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wdn n PRO 29 N 2.09 0.00 -1.57 3.49 -0.04 -1.26 -3.17 135.00 134.55 2wdn n PRO 29 Ca -0.02 0.82 -0.28 0.00 -0.04 0.00 0.00 63.50 63.98 2wdn n PRO 29 Cb 0.68 -1.38 0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2wdn n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdn n GLY 30 N -0.99 5.98 0.00 0.55 0.00 -1.26 -3.77 105.19 105.70 2wdn n GLY 30 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2wdn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn n ALA 31 N -0.86 0.00 -3.46 4.61 0.00 -1.19 -4.80 120.51 114.81 2wdn n ALA 31 Ca 0.53 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.73 2wdn n ALA 31 Cb 0.84 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.18 2wdn n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdn s THR 32 N -0.89 -0.18 0.25 0.00 2.01 -1.26 -2.35 115.64 113.23 2wdn s THR 32 Ca 0.00 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 2wdn s THR 32 Cb 0.00 -0.97 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 2wdn s THR 32 CO 0.00 -0.67 0.72 0.68 -0.69 0.00 0.00 174.62 174.66 2wdn s VAL 33 N 1.95 4.62 -0.19 3.82 -7.23 -0.89 -4.91 120.40 117.57 2wdn s VAL 33 Ca 0.11 1.15 -0.09 0.00 -1.81 0.00 0.00 61.98 61.34 2wdn s VAL 33 Cb -0.16 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 2wdn s VAL 33 CO -0.26 0.08 0.10 -0.70 -0.31 0.00 0.00 175.10 174.01 2wdn s GLU 34 N -2.31 4.07 -1.14 4.82 2.12 -1.26 -1.65 118.70 123.34 2wdn s GLU 34 Ca 0.46 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.46 2wdn s GLU 34 Cb -0.14 -3.33 0.26 0.00 0.26 0.00 0.00 34.13 31.17 2wdn s GLU 34 CO 0.20 0.26 1.76 1.28 -0.54 0.00 0.00 175.26 178.23 2wdn n LEU 35 N 3.60 6.90 -0.58 2.70 7.99 0.40 -4.80 117.00 133.21 2wdn n LEU 35 Ca -0.16 -5.09 0.46 0.00 -0.01 0.00 0.00 56.01 51.21 2wdn n LEU 35 Cb 0.52 -1.31 0.76 0.00 -0.11 0.00 0.00 43.42 43.28 2wdn n LEU 35 CO 0.36 1.75 1.38 1.55 -1.51 0.00 0.00 177.39 180.92 2wdn h PRO 36 N 5.13 0.02 -5.73 3.23 0.13 -1.85 -3.25 132.00 129.67 2wdn h PRO 36 Ca 0.38 -0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.97 2wdn h PRO 36 Cb 0.51 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2wdn h PRO 36 CO 1.39 0.01 1.57 1.33 -0.23 0.00 0.00 178.00 182.07 2wdn n VAL 37 N -4.25 0.09 -3.69 1.56 0.24 -1.26 -4.56 118.33 106.46 2wdn n VAL 37 Ca 0.41 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 2wdn n VAL 37 Cb 1.75 -2.34 -0.09 0.00 -1.47 0.00 0.00 33.84 31.69 2wdn n VAL 37 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wdn s LEU 38 N 10.02 -0.10 0.03 1.34 0.20 -1.25 -3.04 118.68 125.87 2wdn s LEU 38 Ca 1.04 1.06 0.01 0.00 0.69 0.00 0.00 54.13 56.94 2wdn s LEU 38 Cb -0.43 1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 47.07 2wdn s LEU 38 CO 0.35 -0.19 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.40 2wdn s LEU 39 N 0.62 2.25 0.35 -0.68 2.01 -0.76 -3.21 118.68 119.26 2wdn s LEU 39 Ca -0.03 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.58 2wdn s LEU 39 Cb -0.05 -0.05 0.00 0.00 0.01 0.00 0.00 46.19 46.11 2wdn s LEU 39 CO -0.04 -0.25 0.00 0.18 1.01 0.00 0.00 176.35 177.25 2wdn n LEU 40 N 1.52 -0.65 0.00 1.79 7.99 -1.11 -0.16 117.00 126.37 2wdn n LEU 40 Ca -0.23 1.48 -0.02 0.00 -0.01 0.00 0.00 56.01 57.23 2wdn n LEU 40 Cb 0.55 -3.62 0.00 0.00 -0.11 0.00 0.00 43.42 40.24 2wdn n LEU 40 CO 0.20 -2.59 0.11 0.61 -1.51 0.00 0.00 177.39 174.21 2wdn n GLY 41 N -3.82 1.93 0.54 -0.72 0.00 -1.26 -4.20 105.19 97.66 2wdn n GLY 41 Ca -0.02 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2wdn n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 42 N -0.13 0.10 0.34 -0.02 0.00 -1.26 -3.99 105.19 100.23 2wdn n GLY 42 Ca -0.02 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2wdn n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdn n GLU 43 N 0.23 1.12 -2.24 1.61 -0.58 -1.26 -4.89 120.64 114.64 2wdn n GLU 43 Ca 0.15 -2.53 -0.01 0.00 -0.42 0.00 0.00 57.16 54.34 2wdn n GLU 43 Cb 0.43 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 2wdn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdn n LYS 44 N -1.06 -0.77 -0.04 3.49 5.02 -1.26 -5.01 118.16 118.53 2wdn n LYS 44 Ca 0.14 1.06 0.03 0.00 -2.02 0.00 0.00 58.31 57.53 2wdn n LYS 44 Cb 0.69 -3.58 -0.16 0.00 -0.02 0.00 0.00 35.03 31.96 2wdn n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wdn n THR 45 N -1.14 0.49 -0.74 -0.18 -1.04 -1.26 -4.91 114.28 105.50 2wdn n THR 45 Ca 0.01 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 2wdn n THR 45 Cb 0.43 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 2wdn n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2wdn n VAL 46 N -2.42 0.00 -3.57 12.58 3.14 -1.26 -4.72 118.33 122.08 2wdn n VAL 46 Ca -0.14 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.09 2wdn n VAL 46 Cb 0.77 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.42 2wdn n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2wdn s VAL 47 N 0.00 -0.40 0.00 1.55 -7.23 -1.26 -2.75 120.40 110.31 2wdn s VAL 47 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2wdn s VAL 47 Cb 0.00 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.39 2wdn s VAL 47 CO 0.00 -0.02 0.25 0.61 -0.31 0.00 0.00 175.10 175.63 2wdn n GLY 48 N 5.34 -1.81 0.00 2.32 0.00 -1.25 -4.45 105.19 105.34 2wdn n GLY 48 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2wdn n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdn n THR 49 N -0.62 0.00 0.17 2.61 -1.04 -1.26 -4.91 114.28 109.23 2wdn n THR 49 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2wdn n THR 49 Cb 0.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.79 2wdn n THR 49 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2wdn h PRO 50 N 0.00 0.00 -6.01 -2.82 0.11 -2.02 -3.45 132.00 117.80 2wdn h PRO 50 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 2wdn h PRO 50 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2wdn h PRO 50 CO 0.00 0.47 -0.77 0.08 -0.21 0.00 0.00 178.00 177.57 2wdn s VAL 51 N -3.72 2.08 -0.61 3.15 1.01 -1.26 -4.70 120.40 116.35 2wdn s VAL 51 Ca -0.01 -2.18 -0.19 0.00 0.00 0.00 0.00 61.98 59.60 2wdn s VAL 51 Cb 0.12 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.52 2wdn s VAL 51 CO 0.72 -0.39 0.73 0.54 0.00 0.00 0.00 175.10 176.70 2wdn s VAL 52 N -2.40 4.82 0.00 2.92 0.11 -1.20 -3.83 120.40 120.82 2wdn s VAL 52 Ca 0.23 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2wdn s VAL 52 Cb -0.04 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.30 2wdn s VAL 52 CO 0.10 -1.15 0.03 -0.62 -3.33 0.00 0.00 175.10 170.13 2wdn n GLU 53 N 6.34 0.00 -2.31 1.54 1.02 -1.26 -3.00 120.64 122.96 2wdn n GLU 53 Ca -0.08 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2wdn n GLU 53 Cb 0.43 -0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 31.61 2wdn n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wdn s GLY 54 N 0.00 0.80 -0.30 0.62 0.00 -1.26 -4.77 107.32 102.41 2wdn s GLY 54 Ca 0.00 -2.25 -0.17 0.00 0.00 0.00 0.00 44.72 42.30 2wdn s GLY 54 CO 0.00 3.13 1.14 0.00 0.00 0.00 0.00 173.10 177.37 2wdn s ALA 55 N 7.70 -3.16 0.02 3.20 0.00 -1.16 -4.73 121.76 123.62 2wdn s ALA 55 Ca 0.60 1.78 0.01 0.00 0.00 0.00 0.00 51.96 54.35 2wdn s ALA 55 Cb -0.01 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2wdn s ALA 55 CO 0.04 -1.09 -0.04 -1.54 0.00 0.00 0.00 175.76 173.13 2wdn s SER 56 N 2.42 0.44 -0.24 0.00 1.04 -0.76 -4.57 113.70 112.04 2wdn s SER 56 Ca -0.01 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 2wdn s SER 56 Cb -0.05 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2wdn s SER 56 CO -0.15 -0.12 -0.03 0.54 0.98 0.00 0.00 173.24 174.46 2wdn s VAL 57 N -0.80 3.32 0.11 5.02 0.11 -1.23 -2.92 120.40 124.01 2wdn s VAL 57 Ca -0.07 -0.66 -0.28 0.00 -2.93 0.00 0.00 61.98 58.05 2wdn s VAL 57 Cb -0.06 -2.58 -0.06 0.00 -1.53 0.00 0.00 36.38 32.14 2wdn s VAL 57 CO -0.00 0.32 0.89 -0.69 -3.33 0.00 0.00 175.10 172.28 2wdn s VAL 58 N 1.44 4.51 -0.03 2.04 1.01 0.31 -0.45 120.40 129.23 2wdn s VAL 58 Ca 0.04 1.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 2wdn s VAL 58 Cb -0.15 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2wdn s VAL 58 CO -0.03 0.37 0.07 0.00 0.00 0.00 0.00 175.10 175.51 2wdn s ALA 59 N -0.24 -0.12 -0.08 5.51 0.00 -0.66 0.08 121.76 126.25 2wdn s ALA 59 Ca 0.43 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 2wdn s ALA 59 Cb -0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2wdn s ALA 59 CO 0.28 -0.09 0.21 -2.00 0.00 0.00 0.00 175.76 174.16 2wdn s GLU 60 N 0.63 3.55 -0.07 0.00 2.12 -0.74 -2.09 118.70 122.09 2wdn s GLU 60 Ca -0.05 -0.02 -0.25 0.00 0.36 0.00 0.00 54.97 55.02 2wdn s GLU 60 Cb -0.07 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 2wdn s GLU 60 CO -0.02 0.75 0.76 0.54 -0.54 0.00 0.00 175.26 176.75 2wdn s VAL 61 N -1.07 5.00 -0.58 3.70 0.11 -0.99 -0.06 120.40 126.51 2wdn s VAL 61 Ca 0.18 1.56 0.23 0.00 -2.93 0.00 0.00 61.98 61.02 2wdn s VAL 61 Cb -0.13 -4.10 -0.07 0.00 -1.53 0.00 0.00 36.38 30.55 2wdn s VAL 61 CO 0.07 0.20 1.08 0.18 -3.33 0.00 0.00 175.10 173.31 2wdn n LEU 62 N 4.02 0.63 0.00 2.54 7.99 0.24 -4.24 117.00 128.18 2wdn n LEU 62 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2wdn n LEU 62 Cb 0.51 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 2wdn n LEU 62 CO 0.48 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.98 2wdn n GLY 63 N 1.35 -0.41 0.63 -0.72 0.00 -1.23 -4.88 105.19 99.93 2wdn n GLY 63 Ca 0.02 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 2wdn n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdn n HIS 64 N 3.52 0.20 0.00 1.61 8.25 -1.26 -0.71 115.22 126.82 2wdn n HIS 64 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2wdn n HIS 64 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2wdn n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdn n GLY 65 N 3.88 3.58 3.73 -1.41 0.00 -0.94 -4.85 105.19 109.17 2wdn n GLY 65 Ca -0.04 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2wdn n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdn s ARG 66 N -1.23 4.25 1.00 1.61 0.52 -1.26 -2.05 118.95 121.79 2wdn s ARG 66 Ca 0.00 2.30 -0.15 0.00 -0.52 0.00 0.00 55.73 57.36 2wdn s ARG 66 Cb 0.00 -3.14 0.19 0.00 0.52 0.00 0.00 34.95 32.52 2wdn s ARG 66 CO 0.00 -0.49 1.15 0.20 0.02 0.00 0.00 175.30 176.18 2wdn s GLY 67 N 0.73 1.61 0.18 -3.53 0.00 0.14 -4.94 107.32 101.51 2wdn s GLY 67 Ca 0.64 -0.72 -0.32 0.00 0.00 0.00 0.00 44.72 44.32 2wdn s GLY 67 CO 0.37 -0.04 1.75 1.17 0.00 0.00 0.00 173.10 176.36 2wdn n LYS 68 N -4.07 2.75 -1.68 2.90 3.00 -1.26 -4.55 118.16 115.24 2wdn n LYS 68 Ca 0.09 0.99 -0.43 0.00 -0.00 0.00 0.00 58.31 58.96 2wdn n LYS 68 Cb 0.59 -2.85 -0.01 0.00 0.00 0.00 0.00 35.03 32.76 2wdn n LYS 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2wdn n LYS 69 N 4.46 2.02 -5.16 1.64 4.81 -1.26 -4.78 118.16 119.89 2wdn n LYS 69 Ca 0.17 0.71 -0.31 0.00 -0.87 0.00 0.00 58.31 58.01 2wdn n LYS 69 Cb 0.35 -2.29 -0.17 0.00 0.02 0.00 0.00 35.03 32.94 2wdn n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wdn s ILE 70 N -0.80 1.97 -0.24 3.15 1.01 0.84 -4.97 121.20 122.17 2wdn s ILE 70 Ca 0.59 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 2wdn s ILE 70 Cb -0.60 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2wdn s ILE 70 CO 0.58 0.54 0.46 -0.76 0.00 0.00 0.00 174.94 175.77 2wdn s LEU 71 N 0.35 4.09 -0.39 2.97 1.43 -1.26 -1.44 118.68 124.43 2wdn s LEU 71 Ca -0.18 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2wdn s LEU 71 Cb -0.18 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.54 2wdn s LEU 71 CO 0.08 -0.20 0.19 0.68 0.23 0.00 0.00 176.35 177.34 2wdn s VAL 72 N 1.89 3.71 -0.16 -1.59 -7.23 -0.50 -4.99 120.40 111.53 2wdn s VAL 72 Ca 0.20 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2wdn s VAL 72 Cb -0.15 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 2wdn s VAL 72 CO 0.09 -0.49 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.42 2wdn s SER 73 N 1.87 4.85 -0.06 4.85 1.04 -1.26 -1.70 113.70 123.29 2wdn s SER 73 Ca 0.03 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 2wdn s SER 73 Cb -0.22 -1.80 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 2wdn s SER 73 CO -0.00 0.16 -0.02 -0.54 0.98 0.00 0.00 173.24 173.82 2wdn s LYS 74 N 0.42 2.86 -0.14 4.02 1.02 0.40 -4.96 119.74 123.36 2wdn s LYS 74 Ca -0.03 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 2wdn s LYS 74 Cb -0.14 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.53 2wdn s LYS 74 CO 0.03 0.67 0.32 0.12 -0.92 0.00 0.00 175.35 175.57 2wdn s PHE 75 N -0.92 -0.49 -0.19 3.18 2.19 -1.26 -0.88 117.98 119.62 2wdn s PHE 75 Ca 0.15 1.07 -0.00 0.00 0.33 0.00 0.00 56.93 58.48 2wdn s PHE 75 Cb -0.11 0.13 0.01 0.00 -1.31 0.00 0.00 43.02 41.74 2wdn s PHE 75 CO 0.04 -0.32 -0.16 0.15 1.83 0.00 0.00 175.22 176.75 2wdn s LYS 76 N 1.73 3.07 0.94 10.12 1.02 -0.61 -5.04 119.74 130.97 2wdn s LYS 76 Ca -0.06 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.04 2wdn s LYS 76 Cb -0.10 -2.67 0.16 0.00 -0.52 0.00 0.00 37.83 34.70 2wdn s LYS 76 CO -0.10 -0.21 1.12 0.00 -0.92 0.00 0.00 175.35 175.24 2wdn n ALA 77 N 4.66 -1.03 -3.91 5.17 0.00 -1.26 -3.68 120.51 120.47 2wdn n ALA 77 Ca -0.20 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.37 2wdn n ALA 77 Cb 0.50 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 2wdn n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdn n LYS 78 N -4.27 -0.85 0.00 0.00 5.02 -1.26 -4.64 118.16 112.16 2wdn n LYS 78 Ca 0.11 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2wdn n LYS 78 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 2wdn n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2wdn n VAL 79 N -3.80 0.00 -3.26 -0.18 3.14 -1.25 -5.03 118.33 107.96 2wdn n VAL 79 Ca -0.22 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 60.97 2wdn n VAL 79 Cb 0.51 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.35 2wdn n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdn n GLN 80 N 0.00 -5.79 -3.73 1.45 1.13 -1.26 -4.98 117.38 104.20 2wdn n GLN 80 Ca 0.00 0.67 -0.38 0.00 -1.94 0.00 0.00 57.00 55.36 2wdn n GLN 80 Cb 0.11 -5.19 -0.12 0.00 0.11 0.00 0.00 30.24 25.16 2wdn n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2wdn s TYR 81 N -3.21 3.37 0.01 1.08 6.14 -1.24 -5.05 117.35 118.45 2wdn s TYR 81 Ca 0.42 -1.79 0.05 0.00 0.64 0.00 0.00 57.07 56.39 2wdn s TYR 81 Cb -0.18 -2.72 -0.02 0.00 0.42 0.00 0.00 41.96 39.46 2wdn s TYR 81 CO 0.51 -0.84 -0.16 1.03 0.64 0.00 0.00 175.55 176.73 2wdn s ARG 82 N 1.32 1.19 -0.14 4.97 3.00 -1.26 -1.58 118.95 126.45 2wdn s ARG 82 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 55.73 55.03 2wdn s ARG 82 Cb -0.22 -1.19 0.07 0.00 0.00 0.00 0.00 34.95 33.61 2wdn s ARG 82 CO 0.00 0.32 0.26 1.03 0.00 0.00 0.00 175.30 176.91 2wdn s ARG 83 N -0.70 0.16 -0.22 3.54 1.81 -0.05 -4.97 118.95 118.51 2wdn s ARG 83 Ca 0.05 0.67 -0.05 0.00 -1.72 0.00 0.00 55.73 54.68 2wdn s ARG 83 Cb -0.07 -0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.21 2wdn s ARG 83 CO 0.00 -0.35 -0.01 0.21 -0.68 0.00 0.00 175.30 174.47 2wdn s LYS 84 N 2.41 3.47 -0.11 3.54 2.20 -1.26 -0.45 119.74 129.54 2wdn s LYS 84 Ca 0.03 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2wdn s LYS 84 Cb -0.13 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2wdn s LYS 84 CO -0.09 -0.17 -0.12 0.21 -0.36 0.00 0.00 175.35 174.82 2wdn s LYS 85 N 1.45 1.91 -0.34 4.03 2.47 -0.69 -5.03 119.74 123.55 2wdn s LYS 85 Ca 0.05 -0.42 -0.18 0.00 -1.56 0.00 0.00 55.97 53.86 2wdn s LYS 85 Cb -0.14 -1.76 -0.01 0.00 -1.46 0.00 0.00 37.83 34.45 2wdn s LYS 85 CO -0.01 -0.17 0.52 0.20 0.16 0.00 0.00 175.35 176.05 2wdn s GLY 86 N 1.34 1.82 -0.07 5.54 0.00 -1.26 -1.40 107.32 113.29 2wdn s GLY 86 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2wdn s GLY 86 CO -0.06 1.27 -0.21 -1.58 0.00 0.00 0.00 173.10 172.52 2wdn s HIS 87 N 2.40 2.19 -0.15 1.90 2.46 -0.52 -4.97 115.29 118.60 2wdn s HIS 87 Ca 0.19 -0.77 -0.02 0.00 0.47 0.00 0.00 55.06 54.94 2wdn s HIS 87 Cb -0.15 -1.47 0.04 0.00 -0.13 0.00 0.00 32.58 30.87 2wdn s HIS 87 CO 0.13 -0.29 -0.01 1.03 -2.47 0.00 0.00 174.74 173.13 2wdn s ARG 88 N 0.18 0.92 -0.03 2.88 0.52 -1.26 -0.12 118.95 122.05 2wdn s ARG 88 Ca -0.11 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 2wdn s ARG 88 Cb -0.15 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 2wdn s ARG 88 CO 0.05 -0.47 1.07 -0.65 0.02 0.00 0.00 175.30 175.32 2wdn s GLN 89 N 1.81 4.46 0.17 3.54 -1.52 -1.26 -4.67 119.66 122.18 2wdn s GLN 89 Ca 0.01 1.52 -0.18 0.00 -1.95 0.00 0.00 55.36 54.76 2wdn s GLN 89 Cb -0.15 -3.48 -0.07 0.00 -0.22 0.00 0.00 33.01 29.08 2wdn s GLN 89 CO -0.07 -0.23 0.64 -1.25 -0.25 0.00 0.00 175.29 174.13 2wdn s PRO 90 N 1.52 4.18 0.29 2.91 0.04 -1.26 0.28 135.00 142.96 2wdn s PRO 90 Ca 0.53 0.74 0.03 0.00 0.04 0.00 0.00 61.00 62.34 2wdn s PRO 90 Cb -0.22 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2wdn s PRO 90 CO 0.24 0.48 0.12 2.48 0.04 0.00 0.00 177.00 180.36 2wdn n TYR 91 N 0.99 0.02 -3.73 0.56 0.18 -0.87 -3.60 117.16 110.72 2wdn n TYR 91 Ca -0.05 -1.92 -0.17 0.00 1.88 0.00 0.00 57.90 57.65 2wdn n TYR 91 Cb 0.51 0.02 -0.16 0.00 -0.38 0.00 0.00 39.34 39.33 2wdn n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2wdn s THR 92 N -2.70 -0.09 -0.25 -3.48 -4.23 -1.26 -2.23 115.64 101.41 2wdn s THR 92 Ca 0.17 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2wdn s THR 92 Cb 0.01 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.70 2wdn s THR 92 CO 0.12 0.12 0.60 -1.61 -0.54 0.00 0.00 174.62 173.31 2wdn s GLU 93 N 1.52 4.11 0.31 3.99 2.02 0.11 -1.63 118.70 129.13 2wdn s GLU 93 Ca -0.04 0.49 0.07 0.00 0.02 0.00 0.00 54.97 55.52 2wdn s GLU 93 Cb -0.12 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 2wdn s GLU 93 CO -0.03 -0.39 0.32 -0.51 0.02 0.00 0.00 175.26 174.67 2wdn s LEU 94 N 2.41 3.75 -0.31 1.80 1.43 -1.13 0.81 118.68 127.44 2wdn s LEU 94 Ca 0.25 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2wdn s LEU 94 Cb -0.16 -2.38 0.10 0.00 0.03 0.00 0.00 46.19 43.79 2wdn s LEU 94 CO 0.09 -0.30 0.12 -0.22 0.23 0.00 0.00 176.35 176.27 2wdn s LEU 95 N -4.00 1.58 -0.02 1.79 0.20 0.92 -4.30 118.68 114.84 2wdn s LEU 95 Ca 0.40 -1.61 -0.36 0.00 0.69 0.00 0.00 54.13 53.25 2wdn s LEU 95 Cb -0.07 -0.66 -0.14 0.00 -0.43 0.00 0.00 46.19 44.89 2wdn s LEU 95 CO 0.27 -0.41 1.65 -0.38 -0.29 0.00 0.00 176.35 177.20 2wdn n ILE 96 N 4.86 0.24 0.00 6.68 2.08 -1.26 -1.80 119.36 130.16 2wdn n ILE 96 Ca -0.02 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2wdn n ILE 96 Cb 0.41 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 2wdn n ILE 96 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wdn n LYS 97 N 4.59 0.00 -3.91 0.38 4.76 0.11 -3.60 118.16 120.49 2wdn n LYS 97 Ca 0.21 0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.65 2wdn n LYS 97 Cb 0.24 -0.56 -0.12 0.00 -1.84 0.00 0.00 35.03 32.74 2wdn n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdn s GLU 98 N -0.87 0.18 -0.81 1.97 -1.05 -1.09 -4.67 118.70 112.36 2wdn s GLU 98 Ca 0.00 -0.24 -0.02 0.00 -0.15 0.00 0.00 54.97 54.56 2wdn s GLU 98 Cb 0.00 0.07 0.36 0.00 -0.44 0.00 0.00 34.13 34.12 2wdn s GLU 98 CO 0.00 -0.03 1.99 0.44 0.95 0.00 0.00 175.26 178.61 2wdn n ILE 99 N 2.36 3.55 -1.69 1.83 -0.00 -1.26 -0.53 119.36 123.62 2wdn n ILE 99 Ca -0.18 -4.20 -0.41 0.00 -0.00 0.00 0.00 62.75 57.97 2wdn n ILE 99 Cb 0.58 -1.23 -0.03 0.00 -0.00 0.00 0.00 39.64 38.95 2wdn n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wdn s ARG 100 N -4.03 2.90 0.00 6.28 1.70 -1.15 -4.85 118.95 119.81 2wdn s ARG 100 Ca 0.53 1.71 0.00 0.00 -0.47 0.00 0.00 55.73 57.50 2wdn s ARG 100 Cb 0.44 -4.39 0.00 0.00 -0.57 0.00 0.00 34.95 30.43 2wdn s ARG 100 CO -0.37 -2.36 0.40 0.41 -1.08 0.00 0.00 175.30 172.30