#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n PHE 2 N 0.00 0.00 -0.35 2.03 7.35 -1.26 -4.75 117.46 120.47 2wdi n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdi n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2wdi n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdi n ALA 3 N -3.00 -1.61 -3.83 3.13 0.00 -1.25 -4.12 120.51 109.82 2wdi n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2wdi n ALA 3 Cb 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.16 2wdi n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wdi s ILE 4 N 0.00 3.27 0.81 0.00 1.01 -0.17 -0.77 121.20 125.35 2wdi s ILE 4 Ca 0.00 -3.77 -0.12 0.00 0.00 0.00 0.00 60.65 56.76 2wdi s ILE 4 Cb 0.00 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.42 2wdi s ILE 4 CO 0.00 -0.96 1.18 0.54 0.00 0.00 0.00 174.94 175.70 2wdi s VAL 5 N -0.96 2.01 -0.03 2.92 0.11 0.21 -1.60 120.40 123.07 2wdi s VAL 5 Ca 0.22 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 2wdi s VAL 5 Cb -0.13 -3.00 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2wdi s VAL 5 CO -0.10 0.00 -0.00 -0.75 -3.33 0.00 0.00 175.10 170.92 2wdi s LYS 6 N -5.57 0.35 -0.27 1.54 2.20 -1.25 -1.00 119.74 115.73 2wdi s LYS 6 Ca 0.62 0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 56.04 2wdi s LYS 6 Cb -0.11 -0.52 0.09 0.00 -1.51 0.00 0.00 37.83 35.78 2wdi s LYS 6 CO 0.49 -0.13 0.83 -0.08 -0.36 0.00 0.00 175.35 176.10 2wdi s THR 7 N 1.01 0.00 -0.13 3.43 -1.32 -0.15 -4.77 115.64 113.71 2wdi s THR 7 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2wdi s THR 7 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2wdi s THR 7 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2wdi n GLY 8 N 2.56 0.50 1.79 6.08 0.00 -1.26 -2.92 105.19 111.94 2wdi n GLY 8 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2wdi n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 9 N -2.71 0.54 3.09 -0.02 0.00 -1.26 -5.00 105.19 99.83 2wdi n GLY 9 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 2wdi n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 10 N -0.27 0.62 -0.00 1.61 1.02 -1.15 -5.16 119.74 116.40 2wdi s LYS 10 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2wdi s LYS 10 Cb 0.00 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 2wdi s LYS 10 CO 0.00 0.09 -0.03 -0.65 -0.92 0.00 0.00 175.35 173.84 2wdi s GLN 11 N -1.58 2.68 0.04 1.68 -0.21 -1.26 -0.98 119.66 120.02 2wdi s GLN 11 Ca -0.07 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.65 2wdi s GLN 11 Cb -0.10 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 2wdi s GLN 11 CO 0.01 0.62 -0.05 0.71 -2.12 0.00 0.00 175.29 174.46 2wdi s TYR 12 N -1.04 0.46 -0.49 0.91 2.02 -0.17 -4.99 117.35 114.05 2wdi s TYR 12 Ca 0.18 -0.63 -0.17 0.00 -0.37 0.00 0.00 57.07 56.08 2wdi s TYR 12 Cb -0.11 -0.30 0.07 0.00 -0.40 0.00 0.00 41.96 41.22 2wdi s TYR 12 CO 0.09 -0.19 0.47 0.50 -1.57 0.00 0.00 175.55 174.85 2wdi s ARG 13 N -2.05 3.02 0.00 -0.62 3.52 -1.26 -0.62 118.95 120.95 2wdi s ARG 13 Ca -0.09 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.27 2wdi s ARG 13 Cb -0.06 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 2wdi s ARG 13 CO -0.02 -1.11 0.00 1.33 -0.81 0.00 0.00 175.30 174.68 2wdi n VAL 14 N 5.33 0.00 -2.01 7.11 0.24 0.05 -4.99 118.33 124.05 2wdi n VAL 14 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2wdi n VAL 14 Cb 0.44 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2wdi n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdi n GLU 15 N -0.84 0.00 0.00 7.34 1.02 -1.26 -4.51 120.64 122.40 2wdi n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wdi n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2wdi n GLU 15 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdi n PRO 16 N 0.00 0.00 -4.63 3.49 -0.02 -1.26 -4.67 135.00 127.90 2wdi n PRO 16 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2wdi n PRO 16 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 2wdi n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdi s GLY 17 N 0.00 1.67 0.00 -1.23 0.00 -1.22 -3.79 107.32 102.74 2wdi s GLY 17 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2wdi s GLY 17 CO 0.00 -0.52 0.00 1.47 0.00 0.00 0.00 173.10 174.05 2wdi n LEU 18 N 2.61 0.00 -1.15 0.66 -0.00 -1.26 -4.92 117.00 112.94 2wdi n LEU 18 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 55.92 2wdi n LEU 18 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 2wdi n LEU 18 CO 0.28 0.00 -0.37 1.17 -0.00 0.00 0.00 177.39 178.47 2wdi n LYS 19 N 0.00 -2.15 0.00 1.47 3.00 -1.26 -4.65 118.16 114.57 2wdi n LYS 19 Ca 0.00 1.74 0.00 0.00 -0.00 0.00 0.00 58.31 60.05 2wdi n LYS 19 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 35.03 32.43 2wdi n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2wdi n LEU 20 N -3.52 0.00 -4.92 3.14 4.32 -1.26 -4.81 117.00 109.94 2wdi n LEU 20 Ca -0.05 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.68 2wdi n LEU 20 Cb 0.39 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.21 2wdi n LEU 20 CO 0.02 0.00 0.48 -0.13 -1.22 0.00 0.00 177.39 176.53 2wdi s ARG 21 N 1.76 3.06 -0.32 3.23 3.00 -1.26 -3.28 118.95 125.13 2wdi s ARG 21 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 55.73 55.84 2wdi s ARG 21 Cb 0.00 -2.34 0.44 0.00 0.00 0.00 0.00 34.95 33.05 2wdi s ARG 21 CO 0.00 -0.54 1.40 1.33 0.00 0.00 0.00 175.30 177.49 2wdi n VAL 22 N -2.44 0.42 -1.11 3.52 0.24 -1.21 -4.90 118.33 112.84 2wdi n VAL 22 Ca 0.03 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 2wdi n VAL 22 Cb 0.57 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 2wdi n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdi n GLU 23 N -1.22 -3.20 -0.83 7.34 -0.58 -1.26 -4.40 120.64 116.50 2wdi n GLU 23 Ca -0.09 2.38 -0.32 0.00 -0.42 0.00 0.00 57.16 58.70 2wdi n GLU 23 Cb 0.85 -2.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.00 2wdi n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdi n LYS 24 N -0.89 0.00 -3.92 3.49 4.76 -1.14 -4.45 118.16 116.01 2wdi n LYS 24 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2wdi n LYS 24 Cb 0.00 -0.72 -0.14 0.00 -1.84 0.00 0.00 35.03 32.33 2wdi n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdi s LEU 25 N 1.22 3.61 -0.30 -0.35 1.43 -1.26 -5.00 118.68 118.02 2wdi s LEU 25 Ca 0.50 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2wdi s LEU 25 Cb -0.71 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 2wdi s LEU 25 CO 0.38 -0.20 1.96 -0.67 0.23 0.00 0.00 176.35 178.05 2wdi n ASP 26 N 4.66 3.14 -3.87 2.29 2.03 -1.26 -4.76 116.55 118.77 2wdi n ASP 26 Ca -0.15 -2.08 -0.27 0.00 0.52 0.00 0.00 54.79 52.81 2wdi n ASP 26 Cb 0.45 -0.80 -0.17 0.00 -0.72 0.00 0.00 41.12 39.88 2wdi n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wdi s ALA 27 N 2.67 1.31 0.27 -1.67 0.00 -1.26 -5.13 121.76 117.95 2wdi s ALA 27 Ca 0.32 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 2wdi s ALA 27 Cb 0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2wdi s ALA 27 CO -0.01 -0.66 -0.24 0.39 0.00 0.00 0.00 175.76 175.25 2wdi n GLU 28 N 4.94 0.00 0.00 0.00 1.02 -1.26 -4.77 120.64 120.57 2wdi n GLU 28 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2wdi n GLU 28 Cb 0.49 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2wdi n GLU 28 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdi n PRO 29 N 0.67 0.00 -0.07 3.49 -0.02 -1.26 -2.86 135.00 134.95 2wdi n PRO 29 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wdi n PRO 29 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 2wdi n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdi n GLY 30 N 0.00 1.73 0.00 -1.23 0.00 -1.26 -4.37 105.19 100.07 2wdi n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 31 N 0.76 0.00 -3.39 4.61 0.00 -1.13 -4.73 120.51 116.63 2wdi n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2wdi n ALA 31 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 2wdi n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdi s THR 32 N -0.21 -0.88 0.22 0.00 2.01 -1.26 -3.14 115.64 112.39 2wdi s THR 32 Ca 0.00 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2wdi s THR 32 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2wdi s THR 32 CO 0.00 -0.01 0.10 0.68 -0.69 0.00 0.00 174.62 174.70 2wdi s VAL 33 N 2.78 4.09 -0.16 3.82 -7.23 -0.03 -4.94 120.40 118.73 2wdi s VAL 33 Ca 0.09 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2wdi s VAL 33 Cb -0.14 -3.15 0.01 0.00 0.56 0.00 0.00 36.38 33.66 2wdi s VAL 33 CO -0.18 -0.26 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.47 2wdi s GLU 34 N -3.47 3.12 -1.14 4.82 2.12 -1.26 -0.12 118.70 122.77 2wdi s GLU 34 Ca 0.31 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2wdi s GLU 34 Cb -0.08 -2.58 0.08 0.00 0.26 0.00 0.00 34.13 31.81 2wdi s GLU 34 CO 0.22 -0.05 1.52 -0.51 -0.54 0.00 0.00 175.26 175.90 2wdi s LEU 35 N 0.95 4.03 0.38 2.70 2.01 0.87 -4.81 118.68 124.81 2wdi s LEU 35 Ca -0.03 -2.12 0.21 0.00 0.01 0.00 0.00 54.13 52.19 2wdi s LEU 35 Cb -0.15 -2.53 1.26 0.00 0.01 0.00 0.00 46.19 44.78 2wdi s LEU 35 CO -0.03 -1.22 1.63 1.55 1.01 0.00 0.00 176.35 179.29 2wdi h PRO 36 N 8.45 0.17 -6.57 1.29 0.13 -1.88 -3.26 132.00 130.32 2wdi h PRO 36 Ca 0.31 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.90 2wdi h PRO 36 Cb 0.94 -0.04 0.03 0.00 0.13 0.00 0.00 31.00 32.07 2wdi h PRO 36 CO 1.38 0.11 0.85 0.14 -0.23 0.00 0.00 178.00 180.25 2wdi s VAL 37 N -5.51 2.86 -0.30 1.56 -7.23 -1.26 -4.52 120.40 106.00 2wdi s VAL 37 Ca -0.09 0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 2wdi s VAL 37 Cb 0.31 -3.38 0.19 0.00 0.56 0.00 0.00 36.38 34.06 2wdi s VAL 37 CO 0.80 0.04 1.18 -0.22 -0.31 0.00 0.00 175.10 176.58 2wdi s LEU 38 N 1.33 -0.22 0.15 1.32 0.20 -1.26 -3.90 118.68 116.30 2wdi s LEU 38 Ca 0.69 0.33 0.08 0.00 0.69 0.00 0.00 54.13 55.92 2wdi s LEU 38 Cb -0.41 1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 46.60 2wdi s LEU 38 CO 0.31 -0.05 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.38 2wdi s LEU 39 N 1.54 2.41 0.57 -0.68 2.01 -0.63 -2.57 118.68 121.33 2wdi s LEU 39 Ca -0.05 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.26 2wdi s LEU 39 Cb -0.03 -0.82 0.00 0.00 0.01 0.00 0.00 46.19 45.35 2wdi s LEU 39 CO -0.13 -0.03 0.00 0.18 1.01 0.00 0.00 176.35 177.38 2wdi n LEU 40 N 0.44 -1.33 -3.96 1.79 7.99 -1.24 -1.00 117.00 119.69 2wdi n LEU 40 Ca -0.14 2.53 -0.09 0.00 -0.01 0.00 0.00 56.01 58.29 2wdi n LEU 40 Cb 0.56 -2.89 -0.06 0.00 -0.11 0.00 0.00 43.42 40.92 2wdi n LEU 40 CO 0.28 -1.30 0.11 -0.83 -1.51 0.00 0.00 177.39 174.13 2wdi s GLY 41 N -6.03 0.47 0.49 -0.72 0.00 -1.26 -3.90 107.32 96.37 2wdi s GLY 41 Ca 0.00 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.15 2wdi s GLY 41 CO 0.00 -0.68 1.88 -1.33 0.00 0.00 0.00 173.10 172.97 2wdi h GLY 42 N 2.36 0.36 -5.11 0.20 0.00 -1.86 -2.70 103.07 96.32 2wdi h GLY 42 Ca -0.29 -0.07 -0.67 0.00 0.00 0.00 0.00 47.33 46.29 2wdi h GLY 42 CO 0.41 -0.01 0.05 1.18 0.00 0.00 0.00 176.54 178.17 2wdi n GLU 43 N -4.38 3.56 -3.46 4.80 -0.58 -1.26 -4.74 120.64 114.58 2wdi n GLU 43 Ca 0.19 -4.37 -0.20 0.00 -0.42 0.00 0.00 57.16 52.36 2wdi n GLU 43 Cb 0.85 -2.29 0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2wdi n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdi n LYS 44 N -0.37 -1.50 0.14 3.49 5.02 -1.02 -4.89 118.16 119.03 2wdi n LYS 44 Ca 0.42 0.81 -0.00 0.00 -2.02 0.00 0.00 58.31 57.52 2wdi n LYS 44 Cb 0.42 -4.65 0.19 0.00 -0.02 0.00 0.00 35.03 30.97 2wdi n LYS 44 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wdi h THR 45 N -1.02 1.37 -1.11 -0.18 2.02 -1.87 -3.46 112.91 108.66 2wdi h THR 45 Ca -0.50 -2.05 0.11 0.00 0.77 0.00 0.00 66.41 64.74 2wdi h THR 45 Cb 1.28 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 2wdi h THR 45 CO 0.42 0.58 -0.15 0.55 0.37 0.00 0.00 175.52 177.29 2wdi n VAL 46 N -3.76 0.00 -3.39 3.16 3.14 -1.26 -4.79 118.33 111.43 2wdi n VAL 46 Ca -0.01 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.21 2wdi n VAL 46 Cb 0.60 -0.14 -0.09 0.00 -1.06 0.00 0.00 33.84 33.15 2wdi n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2wdi s VAL 47 N -1.10 -0.43 0.05 1.55 -7.23 -1.26 -3.73 120.40 108.25 2wdi s VAL 47 Ca 0.00 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2wdi s VAL 47 Cb 0.00 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 2wdi s VAL 47 CO 0.00 -0.45 0.96 0.61 -0.31 0.00 0.00 175.10 175.91 2wdi n GLY 48 N 5.25 -2.33 0.00 2.32 0.00 -1.26 -4.41 105.19 104.76 2wdi n GLY 48 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wdi n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdi n THR 49 N -3.65 0.00 -0.07 2.61 -1.04 -1.26 -5.06 114.28 105.82 2wdi n THR 49 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 2wdi n THR 49 Cb 0.08 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.49 2wdi n THR 49 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2wdi h PRO 50 N 0.00 0.00 -5.69 -2.82 0.11 -2.01 -3.44 132.00 118.15 2wdi h PRO 50 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 2wdi h PRO 50 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2wdi h PRO 50 CO 0.00 0.79 0.30 0.08 -0.21 0.00 0.00 178.00 178.96 2wdi s VAL 51 N -2.11 4.73 -0.34 3.15 1.01 -1.26 -4.59 120.40 121.00 2wdi s VAL 51 Ca -0.16 0.54 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 2wdi s VAL 51 Cb -0.02 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 2wdi s VAL 51 CO 0.54 -0.56 2.23 0.55 0.00 0.00 0.00 175.10 177.87 2wdi n VAL 52 N 5.92 0.21 0.00 2.92 3.14 -1.06 -4.89 118.33 124.57 2wdi n VAL 52 Ca 0.01 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2wdi n VAL 52 Cb 0.48 -1.99 0.00 0.00 -1.06 0.00 0.00 33.84 31.27 2wdi n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wdi n GLU 53 N 8.45 0.00 0.00 1.45 1.02 -1.26 -2.48 120.64 127.82 2wdi n GLU 53 Ca 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2wdi n GLU 53 Cb 0.32 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2wdi n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdi n GLY 54 N 0.00 0.39 3.36 0.62 0.00 -1.26 -4.68 105.19 103.62 2wdi n GLY 54 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wdi n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi s ALA 55 N 1.69 2.12 -0.24 4.61 0.00 -1.04 -4.30 121.76 124.60 2wdi s ALA 55 Ca 0.00 -1.58 -0.33 0.00 0.00 0.00 0.00 51.96 50.05 2wdi s ALA 55 Cb 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 23.12 23.11 2wdi s ALA 55 CO 0.00 0.21 1.27 -1.54 0.00 0.00 0.00 175.76 175.70 2wdi s SER 56 N -2.92 -0.10 -0.10 0.00 1.04 -0.67 -4.82 113.70 106.12 2wdi s SER 56 Ca 0.19 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2wdi s SER 56 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2wdi s SER 56 CO 0.08 -0.13 -0.21 0.54 0.98 0.00 0.00 173.24 174.50 2wdi s VAL 57 N -1.62 2.38 -0.10 5.02 0.11 -1.23 -1.39 120.40 123.57 2wdi s VAL 57 Ca 0.08 -0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 58.07 2wdi s VAL 57 Cb -0.01 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.86 2wdi s VAL 57 CO -0.05 0.55 0.36 -0.69 -3.33 0.00 0.00 175.10 171.95 2wdi s VAL 58 N 0.20 5.20 0.01 2.04 1.01 -0.45 -0.09 120.40 128.31 2wdi s VAL 58 Ca -0.12 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2wdi s VAL 58 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2wdi s VAL 58 CO 0.07 0.45 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 2wdi s ALA 59 N -0.07 0.17 -0.26 5.51 0.00 0.83 0.99 121.76 128.94 2wdi s ALA 59 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 2wdi s ALA 59 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2wdi s ALA 59 CO 0.08 -0.02 0.01 -2.00 0.00 0.00 0.00 175.76 173.83 2wdi s GLU 60 N -0.58 3.17 -0.03 0.00 2.12 -0.65 -0.85 118.70 121.88 2wdi s GLU 60 Ca -0.05 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 2wdi s GLU 60 Cb -0.04 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2wdi s GLU 60 CO -0.00 -0.33 1.38 0.14 -0.54 0.00 0.00 175.26 175.90 2wdi s VAL 61 N 1.46 3.85 -2.47 3.70 -7.23 -1.19 -1.60 120.40 116.92 2wdi s VAL 61 Ca 0.03 1.19 0.27 0.00 -1.81 0.00 0.00 61.98 61.66 2wdi s VAL 61 Cb -0.16 -3.76 0.55 0.00 0.56 0.00 0.00 36.38 33.56 2wdi s VAL 61 CO -0.01 -0.02 1.73 0.18 -0.31 0.00 0.00 175.10 176.67 2wdi n LEU 62 N 5.64 1.49 0.00 1.32 7.99 -0.63 -4.02 117.00 128.79 2wdi n LEU 62 Ca 0.13 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 2wdi n LEU 62 Cb 0.44 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2wdi n LEU 62 CO 0.58 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 2wdi n GLY 63 N 1.17 0.82 0.00 -0.72 0.00 -1.24 -4.90 105.19 100.32 2wdi n GLY 63 Ca 0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2wdi n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdi n HIS 64 N 6.82 0.00 0.00 1.61 8.25 -1.26 -1.87 115.22 128.77 2wdi n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdi n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 65 N 3.30 0.70 3.33 -1.41 0.00 -1.16 -4.81 105.19 105.14 2wdi n GLY 65 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2wdi n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdi s ARG 66 N -1.87 2.47 0.98 1.61 3.00 -1.26 0.81 118.95 124.68 2wdi s ARG 66 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 55.73 54.74 2wdi s ARG 66 Cb 0.00 -2.21 0.18 0.00 0.00 0.00 0.00 34.95 32.92 2wdi s ARG 66 CO 0.00 0.48 1.17 0.20 0.00 0.00 0.00 175.30 177.15 2wdi s GLY 67 N -0.39 1.62 0.68 -3.53 0.00 0.24 -4.93 107.32 101.00 2wdi s GLY 67 Ca 0.03 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 2wdi s GLY 67 CO 0.02 -0.08 0.61 1.17 0.00 0.00 0.00 173.10 174.82 2wdi n LYS 68 N -3.95 0.43 -2.55 2.90 3.00 -1.26 -4.60 118.16 112.12 2wdi n LYS 68 Ca 0.10 0.18 -0.41 0.00 -0.00 0.00 0.00 58.31 58.18 2wdi n LYS 68 Cb 0.59 -1.87 -0.04 0.00 0.00 0.00 0.00 35.03 33.71 2wdi n LYS 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wdi s LYS 69 N -2.66 4.58 -0.16 1.64 2.20 -1.26 -4.60 119.74 119.49 2wdi s LYS 69 Ca 0.68 1.67 -0.06 0.00 -0.36 0.00 0.00 55.97 57.90 2wdi s LYS 69 Cb -0.38 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2wdi s LYS 69 CO 0.55 0.04 0.05 0.42 -0.36 0.00 0.00 175.35 176.05 2wdi s ILE 70 N 0.06 4.68 -0.67 5.43 1.01 0.58 -4.91 121.20 127.38 2wdi s ILE 70 Ca 0.50 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 2wdi s ILE 70 Cb -0.28 -3.08 0.17 0.00 0.01 0.00 0.00 42.46 39.28 2wdi s ILE 70 CO 0.33 0.50 0.62 -0.76 0.00 0.00 0.00 174.94 175.62 2wdi s LEU 71 N 0.07 6.44 -0.79 2.97 1.43 -1.26 0.63 118.68 128.17 2wdi s LEU 71 Ca 0.05 -2.19 -0.22 0.00 -1.03 0.00 0.00 54.13 50.73 2wdi s LEU 71 Cb -0.12 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 43.96 2wdi s LEU 71 CO 0.01 -0.73 1.12 0.68 0.23 0.00 0.00 176.35 177.66 2wdi s VAL 72 N 0.96 4.28 -0.14 -1.59 -7.23 0.53 -4.93 120.40 112.28 2wdi s VAL 72 Ca 0.10 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2wdi s VAL 72 Cb -0.21 -4.79 -0.02 0.00 0.56 0.00 0.00 36.38 31.92 2wdi s VAL 72 CO -0.02 -1.60 -0.11 -0.94 -0.31 0.00 0.00 175.10 172.13 2wdi s SER 73 N 3.85 4.19 -0.01 4.85 1.04 -1.26 -0.73 113.70 125.64 2wdi s SER 73 Ca 0.30 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2wdi s SER 73 Cb -0.10 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 2wdi s SER 73 CO 0.03 0.15 -0.04 -0.54 0.98 0.00 0.00 173.24 173.83 2wdi s LYS 74 N 0.42 2.68 -0.10 4.02 1.02 -0.18 -4.98 119.74 122.62 2wdi s LYS 74 Ca -0.08 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 2wdi s LYS 74 Cb -0.15 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.62 2wdi s LYS 74 CO 0.04 0.62 0.15 0.12 -0.92 0.00 0.00 175.35 175.36 2wdi s PHE 75 N -1.01 -0.13 -0.20 3.18 2.19 -1.26 -1.57 117.98 119.18 2wdi s PHE 75 Ca 0.17 0.46 -0.06 0.00 0.33 0.00 0.00 56.93 57.83 2wdi s PHE 75 Cb -0.11 -0.33 -0.03 0.00 -1.31 0.00 0.00 43.02 41.23 2wdi s PHE 75 CO 0.08 -0.31 0.03 0.15 1.83 0.00 0.00 175.22 177.00 2wdi s LYS 76 N 2.27 3.74 0.85 10.12 1.02 -0.36 -5.04 119.74 132.33 2wdi s LYS 76 Ca 0.04 -0.46 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2wdi s LYS 76 Cb -0.13 -3.16 0.10 0.00 -0.52 0.00 0.00 37.83 34.12 2wdi s LYS 76 CO -0.06 0.07 1.09 0.00 -0.92 0.00 0.00 175.35 175.53 2wdi s ALA 77 N 0.90 1.82 -1.04 5.17 0.00 -1.26 -3.58 121.76 123.77 2wdi s ALA 77 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2wdi s ALA 77 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2wdi s ALA 77 CO 0.02 -2.12 0.03 1.63 0.00 0.00 0.00 175.76 175.32 2wdi n LYS 78 N -3.74 -0.92 0.00 0.00 5.02 -1.26 -4.59 118.16 112.67 2wdi n LYS 78 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2wdi n LYS 78 Cb 0.55 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 2wdi n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2wdi n VAL 79 N -3.46 0.00 -1.19 -0.18 3.14 -1.26 -5.02 118.33 110.37 2wdi n VAL 79 Ca -0.21 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.10 2wdi n VAL 79 Cb 0.47 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.22 2wdi n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdi n GLN 80 N 0.00 -0.83 -2.88 1.45 1.13 -1.26 -4.95 117.38 110.03 2wdi n GLN 80 Ca 0.00 0.64 -0.43 0.00 -1.94 0.00 0.00 57.00 55.26 2wdi n GLN 80 Cb 0.12 -4.51 -0.03 0.00 0.11 0.00 0.00 30.24 25.93 2wdi n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2wdi s TYR 81 N -2.05 2.82 0.03 1.08 6.14 -1.23 -4.98 117.35 119.15 2wdi s TYR 81 Ca 0.00 -0.84 0.08 0.00 0.64 0.00 0.00 57.07 56.96 2wdi s TYR 81 Cb 0.00 -4.29 -0.03 0.00 0.42 0.00 0.00 41.96 38.06 2wdi s TYR 81 CO 0.00 -1.60 -0.24 1.03 0.64 0.00 0.00 175.55 175.38 2wdi s ARG 82 N 3.61 1.69 -0.11 4.97 3.00 -1.26 -1.22 118.95 129.63 2wdi s ARG 82 Ca 0.26 -1.00 -0.07 0.00 0.00 0.00 0.00 55.73 54.91 2wdi s ARG 82 Cb -0.13 -1.80 0.04 0.00 0.00 0.00 0.00 34.95 33.06 2wdi s ARG 82 CO 0.03 0.47 0.27 1.03 0.00 0.00 0.00 175.30 177.10 2wdi s ARG 83 N -1.09 0.27 -0.14 3.54 1.81 -0.61 -5.00 118.95 117.73 2wdi s ARG 83 Ca 0.10 0.47 -0.00 0.00 -1.72 0.00 0.00 55.73 54.57 2wdi s ARG 83 Cb -0.09 0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.46 2wdi s ARG 83 CO 0.01 -0.10 -0.07 0.21 -0.68 0.00 0.00 175.30 174.67 2wdi s LYS 84 N 0.71 1.58 -0.02 3.54 2.20 -1.26 -1.01 119.74 125.47 2wdi s LYS 84 Ca -0.05 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2wdi s LYS 84 Cb -0.06 -1.87 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 2wdi s LYS 84 CO -0.04 -0.35 -0.25 0.21 -0.36 0.00 0.00 175.35 174.56 2wdi s LYS 85 N 1.64 2.03 -0.15 4.03 2.47 0.09 -5.00 119.74 124.86 2wdi s LYS 85 Ca 0.03 -0.89 -0.05 0.00 -1.56 0.00 0.00 55.97 53.51 2wdi s LYS 85 Cb -0.14 -1.95 -0.03 0.00 -1.46 0.00 0.00 37.83 34.25 2wdi s LYS 85 CO -0.08 0.53 0.01 0.20 0.16 0.00 0.00 175.35 176.16 2wdi s GLY 86 N -0.56 1.81 0.04 5.54 0.00 -1.26 -0.35 107.32 112.54 2wdi s GLY 86 Ca 0.09 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.06 2wdi s GLY 86 CO -0.01 -0.14 -0.11 -1.58 0.00 0.00 0.00 173.10 171.26 2wdi s HIS 87 N 0.08 0.96 -0.28 1.90 2.46 0.21 -4.94 115.29 115.67 2wdi s HIS 87 Ca 0.02 -0.40 -0.01 0.00 0.47 0.00 0.00 55.06 55.13 2wdi s HIS 87 Cb -0.13 -0.56 0.17 0.00 -0.13 0.00 0.00 32.58 31.93 2wdi s HIS 87 CO 0.02 -0.00 0.51 1.03 -2.47 0.00 0.00 174.74 173.82 2wdi s ARG 88 N -1.34 0.48 0.32 2.88 0.52 -1.26 0.21 118.95 120.75 2wdi s ARG 88 Ca -0.03 0.79 -0.28 0.00 -0.52 0.00 0.00 55.73 55.69 2wdi s ARG 88 Cb -0.09 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.41 2wdi s ARG 88 CO 0.01 -0.65 1.13 -0.65 0.02 0.00 0.00 175.30 175.16 2wdi s GLN 89 N 2.73 4.47 -0.23 3.54 -1.52 -1.26 -4.69 119.66 122.70 2wdi s GLN 89 Ca 0.17 1.83 -0.21 0.00 -1.95 0.00 0.00 55.36 55.20 2wdi s GLN 89 Cb -0.15 -3.03 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 2wdi s GLN 89 CO -0.19 0.05 0.63 -1.25 -0.25 0.00 0.00 175.29 174.28 2wdi s PRO 90 N -1.73 4.16 0.04 2.91 0.04 -1.26 -0.59 135.00 138.56 2wdi s PRO 90 Ca 0.48 0.58 0.01 0.00 0.04 0.00 0.00 61.00 62.11 2wdi s PRO 90 Cb -0.32 -3.61 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2wdi s PRO 90 CO 0.41 -0.33 0.05 2.48 0.04 0.00 0.00 177.00 179.64 2wdi n TYR 91 N 5.40 -2.84 -3.30 0.56 0.18 0.24 -2.90 117.16 114.49 2wdi n TYR 91 Ca -0.01 -0.13 -0.09 0.00 1.88 0.00 0.00 57.90 59.55 2wdi n TYR 91 Cb 0.49 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.37 2wdi n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2wdi s THR 92 N 0.71 -0.62 0.30 -3.48 -4.23 -1.26 -2.98 115.64 104.07 2wdi s THR 92 Ca 0.04 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 2wdi s THR 92 Cb -0.00 -0.72 -0.11 0.00 1.34 0.00 0.00 72.50 73.01 2wdi s THR 92 CO 0.02 -0.32 1.53 -1.61 -0.54 0.00 0.00 174.62 173.71 2wdi s GLU 93 N 2.08 4.16 0.24 3.99 2.02 -0.78 -3.31 118.70 127.10 2wdi s GLU 93 Ca 0.13 2.50 0.03 0.00 0.02 0.00 0.00 54.97 57.65 2wdi s GLU 93 Cb -0.12 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 2wdi s GLU 93 CO -0.18 -0.55 0.02 -0.51 0.02 0.00 0.00 175.26 174.06 2wdi s LEU 94 N -0.75 2.09 -0.24 1.80 1.43 -1.21 -1.61 118.68 120.19 2wdi s LEU 94 Ca 0.60 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 2wdi s LEU 94 Cb -0.46 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 45.62 2wdi s LEU 94 CO 0.49 -0.57 0.07 -0.22 0.23 0.00 0.00 176.35 176.36 2wdi s LEU 95 N -3.32 1.28 0.18 1.79 0.20 -0.63 -4.24 118.68 113.95 2wdi s LEU 95 Ca 0.31 -1.12 -0.32 0.00 0.69 0.00 0.00 54.13 53.69 2wdi s LEU 95 Cb 0.06 -0.60 -0.11 0.00 -0.43 0.00 0.00 46.19 45.12 2wdi s LEU 95 CO 0.10 -0.36 1.67 -0.63 -0.29 0.00 0.00 176.35 176.84 2wdi s ILE 96 N 1.86 2.30 0.00 6.68 -1.09 -1.26 -1.64 121.20 128.06 2wdi s ILE 96 Ca 0.04 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2wdi s ILE 96 Cb -0.17 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2wdi s ILE 96 CO -0.18 0.01 0.00 0.29 -1.23 0.00 0.00 174.94 173.83 2wdi n LYS 97 N 4.12 0.00 -4.16 2.79 4.76 0.28 -3.44 118.16 122.51 2wdi n LYS 97 Ca 0.15 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.44 2wdi n LYS 97 Cb 0.37 -0.11 -0.12 0.00 -1.84 0.00 0.00 35.03 33.32 2wdi n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdi s GLU 98 N -0.08 0.67 -0.40 1.97 -1.05 -1.21 -4.68 118.70 113.92 2wdi s GLU 98 Ca 0.00 -0.74 -0.12 0.00 -0.15 0.00 0.00 54.97 53.95 2wdi s GLU 98 Cb 0.00 -0.58 0.04 0.00 -0.44 0.00 0.00 34.13 33.15 2wdi s GLU 98 CO 0.00 0.13 0.27 0.96 0.95 0.00 0.00 175.26 177.56 2wdi s ILE 99 N -1.10 4.80 -0.29 1.83 -0.00 -1.26 -1.34 121.20 123.84 2wdi s ILE 99 Ca -0.04 -0.91 0.01 0.00 -0.00 0.00 0.00 60.65 59.71 2wdi s ILE 99 Cb -0.09 -3.74 0.08 0.00 -0.00 0.00 0.00 42.46 38.72 2wdi s ILE 99 CO 0.01 -0.34 0.02 0.00 -0.00 0.00 0.00 174.94 174.63 2wdi s ARG 100 N 1.58 1.29 0.00 0.37 1.70 -0.49 -5.02 118.95 118.38 2wdi s ARG 100 Ca 0.03 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.03 2wdi s ARG 100 Cb -0.20 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 2wdi s ARG 100 CO 0.07 -0.82 0.00 0.41 -1.08 0.00 0.00 175.30 173.88