#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n LEU 2 N 0.00 0.00 -4.55 -0.89 7.94 -1.26 -5.03 117.00 113.21 2wdi n LEU 2 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2wdi n LEU 2 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 2wdi n LEU 2 CO 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 177.39 175.85 2wdi s MET 3 N 0.00 2.26 -0.82 1.96 0.23 -1.26 -4.62 119.30 117.05 2wdi s MET 3 Ca 0.00 -0.91 -0.26 0.00 -1.03 0.00 0.00 55.69 53.49 2wdi s MET 3 Cb 0.00 -2.34 -0.12 0.00 -1.53 0.00 0.00 34.83 30.84 2wdi s MET 3 CO 0.00 0.55 2.31 -1.25 -2.03 0.00 0.00 175.02 174.60 2wdi s PRO 4 N -1.74 1.78 0.00 3.16 0.04 -1.26 -4.79 135.00 132.19 2wdi s PRO 4 Ca 0.18 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2wdi s PRO 4 Cb -0.11 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2wdi s PRO 4 CO 0.09 -4.26 0.00 2.89 0.04 0.00 0.00 177.00 175.76 2wdi n ARG 5 N 8.82 0.00 -0.54 4.56 1.85 -1.26 -3.16 116.66 126.93 2wdi n ARG 5 Ca 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.28 2wdi n ARG 5 Cb 0.44 -0.66 -0.02 0.00 -1.05 0.00 0.00 32.46 31.17 2wdi n ARG 5 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdi n ARG 6 N 0.17 0.00 -0.90 2.89 5.12 -1.26 -5.16 116.66 117.52 2wdi n ARG 6 Ca 0.00 -0.28 -0.29 0.00 -1.93 0.00 0.00 57.85 55.35 2wdi n ARG 6 Cb 0.00 0.31 0.01 0.00 -1.16 0.00 0.00 32.46 31.62 2wdi n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wdi n MET 7 N 0.00 0.00 -0.03 5.56 2.81 -1.19 -4.91 117.12 119.36 2wdi n MET 7 Ca -0.08 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.68 2wdi n MET 7 Cb 0.37 -0.74 -0.11 0.00 -0.71 0.00 0.00 33.22 32.02 2wdi n MET 7 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2wdi h LYS 8 N -0.13 -0.02 -6.26 0.03 1.57 -2.00 -3.45 116.57 106.31 2wdi h LYS 8 Ca -0.31 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.79 2wdi h LYS 8 Cb 1.06 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.17 2wdi h LYS 8 CO 0.29 0.69 -0.73 0.71 -0.57 0.00 0.00 179.45 179.84 2wdi s TYR 9 N -3.23 2.81 0.01 -1.35 4.12 -1.26 -5.07 117.35 113.38 2wdi s TYR 9 Ca -0.17 -0.07 -0.24 0.00 0.02 0.00 0.00 57.07 56.61 2wdi s TYR 9 Cb -0.01 -1.65 -0.13 0.00 -1.52 0.00 0.00 41.96 38.65 2wdi s TYR 9 CO 0.66 0.27 1.03 -0.09 0.02 0.00 0.00 175.55 177.43 2wdi h ARG 10 N 5.16 -0.82 -6.36 -0.62 2.43 -2.01 -3.45 114.38 108.70 2wdi h ARG 10 Ca -0.48 0.06 -0.67 0.00 -0.81 0.00 0.00 59.98 58.08 2wdi h ARG 10 Cb 1.16 0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 30.75 2wdi h ARG 10 CO 0.51 -0.55 -0.70 0.15 -1.51 0.00 0.00 179.97 177.87 2wdi s LYS 11 N -4.38 2.46 0.09 0.20 1.02 -1.26 -4.83 119.74 113.04 2wdi s LYS 11 Ca -0.12 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.07 2wdi s LYS 11 Cb 0.01 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2wdi s LYS 11 CO 0.37 0.57 -0.08 1.14 -0.92 0.00 0.00 175.35 176.43 2wdi s GLN 12 N -1.81 0.77 0.99 1.68 -2.07 -1.26 -5.08 119.66 112.87 2wdi s GLN 12 Ca 0.20 -1.17 -0.11 0.00 -1.82 0.00 0.00 55.36 52.46 2wdi s GLN 12 Cb -0.11 -0.31 0.19 0.00 -1.09 0.00 0.00 33.01 31.69 2wdi s GLN 12 CO 0.12 0.02 1.10 -0.65 -1.32 0.00 0.00 175.29 174.56 2wdi s GLN 13 N -3.09 0.46 -0.12 9.60 -0.21 -1.26 -4.90 119.66 120.14 2wdi s GLN 13 Ca 0.06 1.25 -0.21 0.00 0.02 0.00 0.00 55.36 56.48 2wdi s GLN 13 Cb -0.00 -1.68 -0.18 0.00 1.00 0.00 0.00 33.01 32.14 2wdi s GLN 13 CO -0.02 -2.92 0.57 0.00 -2.12 0.00 0.00 175.29 170.80 2wdi h ARG 14 N -2.06 -0.01 -4.05 2.91 3.08 -2.01 -3.49 114.38 108.75 2wdi h ARG 14 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wdi h ARG 14 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2wdi h ARG 14 CO 0.46 0.68 -0.98 0.41 -1.07 0.00 0.00 179.97 179.46 2wdi n GLY 15 N 1.59 -4.74 3.93 0.04 0.00 -1.26 -4.98 105.19 99.77 2wdi n GLY 15 Ca -0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2wdi n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdi s ARG 16 N -3.54 1.09 -0.01 1.61 3.52 -1.26 -5.10 118.95 115.26 2wdi s ARG 16 Ca 0.00 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 2wdi s ARG 16 Cb 0.00 -1.92 -0.01 0.00 -1.56 0.00 0.00 34.95 31.45 2wdi s ARG 16 CO 0.00 -2.10 -0.17 -0.51 -0.81 0.00 0.00 175.30 171.70 2wdi s LEU 17 N -5.73 2.03 0.38 -0.88 1.43 -1.26 -5.15 118.68 109.49 2wdi s LEU 17 Ca 0.70 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 2wdi s LEU 17 Cb -0.06 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2wdi s LEU 17 CO 0.51 0.21 0.25 -0.54 0.23 0.00 0.00 176.35 177.01 2wdi s LYS 18 N -0.39 2.46 0.00 1.70 -0.14 -1.26 -5.13 119.74 116.98 2wdi s LYS 18 Ca 0.06 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 53.12 2wdi s LYS 18 Cb -0.07 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2wdi s LYS 18 CO -0.01 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.97 2wdi n GLY 19 N -1.32 -3.48 7.00 -3.33 0.00 -1.26 -4.78 105.19 98.01 2wdi n GLY 19 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wdi n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 20 N -3.00 0.00 -3.62 4.61 0.00 -1.26 -4.87 120.51 112.37 2wdi n ALA 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2wdi n ALA 20 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2wdi n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdi s THR 21 N 0.00 0.00 -1.82 0.00 2.01 -1.26 -3.81 115.64 110.76 2wdi s THR 21 Ca 0.00 0.00 0.17 0.00 0.31 0.00 0.00 61.69 62.17 2wdi s THR 21 Cb 0.00 -1.00 0.42 0.00 0.01 0.00 0.00 72.50 71.93 2wdi s THR 21 CO 0.00 0.00 1.43 0.29 -0.69 0.00 0.00 174.62 175.65 2wdi n LYS 22 N 1.56 0.43 -0.86 4.92 5.02 -1.26 -4.93 118.16 123.04 2wdi n LYS 22 Ca -0.11 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2wdi n LYS 22 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2wdi n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 23 N 0.06 0.44 1.10 0.72 0.00 -1.26 -5.07 105.19 101.18 2wdi n GLY 23 Ca 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2wdi n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 24 N -0.29 0.67 0.36 -0.02 0.00 -1.26 -4.63 105.19 100.02 2wdi n GLY 24 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.56 2wdi n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdi n ASP 25 N 0.09 2.66 -3.93 1.61 5.75 -1.26 0.63 116.55 122.10 2wdi n ASP 25 Ca 0.00 -2.34 -0.16 0.00 -0.01 0.00 0.00 54.79 52.28 2wdi n ASP 25 Cb 0.45 -0.23 -0.15 0.00 -1.03 0.00 0.00 41.12 40.16 2wdi n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2wdi s TYR 26 N -1.61 0.42 0.17 2.11 -0.85 -1.26 -4.94 117.35 111.39 2wdi s TYR 26 Ca 0.19 -0.08 -0.21 0.00 -0.52 0.00 0.00 57.07 56.46 2wdi s TYR 26 Cb 0.14 -0.31 0.09 0.00 0.38 0.00 0.00 41.96 42.25 2wdi s TYR 26 CO 0.07 -0.04 1.61 0.28 -1.52 0.00 0.00 175.55 175.95 2wdi h VAL 27 N 5.29 0.27 0.00 -3.49 2.07 -1.93 -3.46 116.25 115.01 2wdi h VAL 27 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2wdi h VAL 27 Cb 1.18 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2wdi h VAL 27 CO 0.50 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2wdi n ALA 28 N -2.99 0.00 0.03 1.67 0.00 -1.26 -4.23 120.51 113.73 2wdi n ALA 28 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2wdi n ALA 28 Cb 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2wdi n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdi n PHE 29 N -1.19 -0.51 -3.26 0.00 3.01 -1.26 -5.15 117.46 109.10 2wdi n PHE 29 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2wdi n PHE 29 Cb 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2wdi n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wdi n GLY 30 N 1.71 2.67 0.10 1.37 0.00 -1.26 -4.91 105.19 104.86 2wdi n GLY 30 Ca 0.00 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 2wdi n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wdi h ASP 31 N 0.00 0.07 -3.77 1.61 3.32 -1.61 -3.48 116.42 112.56 2wdi h ASP 31 Ca 0.00 -0.74 -0.57 0.00 0.02 0.00 0.00 57.03 55.73 2wdi h ASP 31 Cb 0.00 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 39.33 2wdi h ASP 31 CO 0.00 1.34 -0.81 -0.31 -1.72 0.00 0.00 179.24 177.74 2wdi s TYR 32 N -2.33 1.93 0.22 4.55 1.51 -1.02 -4.27 117.35 117.93 2wdi s TYR 32 Ca -0.24 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 2wdi s TYR 32 Cb 0.02 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 2wdi s TYR 32 CO 0.66 0.31 0.14 0.20 -1.11 0.00 0.00 175.55 175.75 2wdi s GLY 33 N -2.32 1.56 -0.29 0.71 0.00 -1.11 -0.98 107.32 104.90 2wdi s GLY 33 Ca 0.13 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2wdi s GLY 33 CO 0.06 -1.43 -0.04 -2.27 0.00 0.00 0.00 173.10 169.42 2wdi s LEU 34 N -3.20 3.82 0.19 0.66 2.96 0.17 -2.17 118.68 121.11 2wdi s LEU 34 Ca 0.39 -1.46 -0.05 0.00 -0.22 0.00 0.00 54.13 52.79 2wdi s LEU 34 Cb 0.07 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 2wdi s LEU 34 CO 0.14 -0.25 0.44 0.54 -1.32 0.00 0.00 176.35 175.89 2wdi s VAL 35 N 1.14 5.10 -0.16 1.68 0.11 -0.61 -0.59 120.40 127.07 2wdi s VAL 35 Ca -0.05 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2wdi s VAL 35 Cb -0.20 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 2wdi s VAL 35 CO -0.04 -0.06 0.15 0.00 -3.33 0.00 0.00 175.10 171.82 2wdi s ALA 36 N -1.78 3.76 -0.11 1.54 0.00 0.05 -1.61 121.76 123.61 2wdi s ALA 36 Ca 0.42 -0.64 0.17 0.00 0.00 0.00 0.00 51.96 51.91 2wdi s ALA 36 Cb -0.12 -2.11 -0.18 0.00 0.00 0.00 0.00 23.12 20.71 2wdi s ALA 36 CO 0.25 0.34 0.68 1.28 0.00 0.00 0.00 175.76 178.32 2wdi n LEU 37 N 2.87 0.70 -4.26 0.00 4.77 -0.34 -0.23 117.00 120.52 2wdi n LEU 37 Ca -0.17 0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 2wdi n LEU 37 Cb 0.53 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 2wdi n LEU 37 CO 0.35 0.22 -0.48 -1.83 -1.33 0.00 0.00 177.39 174.32 2wdi s GLU 38 N -2.85 1.07 0.42 3.23 -1.05 -1.25 -4.56 118.70 113.71 2wdi s GLU 38 Ca -0.04 -1.19 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 2wdi s GLU 38 Cb 0.09 -1.15 -0.10 0.00 -0.44 0.00 0.00 34.13 32.52 2wdi s GLU 38 CO 0.82 0.25 0.97 -1.25 0.95 0.00 0.00 175.26 177.00 2wdi s PRO 39 N -2.24 4.21 0.00 -4.83 0.04 -1.25 -4.41 135.00 126.52 2wdi s PRO 39 Ca 0.07 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2wdi s PRO 39 Cb -0.08 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2wdi s PRO 39 CO 0.04 -0.05 0.00 0.00 0.04 0.00 0.00 177.00 177.03 2wdi n ALA 40 N -0.48 0.00 -2.62 8.56 0.00 0.30 -4.98 120.51 121.29 2wdi n ALA 40 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 2wdi n ALA 40 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2wdi n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wdi s TRP 41 N -2.00 3.19 -0.33 0.00 0.51 -1.26 -1.79 118.94 117.26 2wdi s TRP 41 Ca 0.00 0.86 -0.13 0.00 -2.12 0.00 0.00 56.10 54.71 2wdi s TRP 41 Cb 0.00 -3.29 -0.02 0.00 -0.81 0.00 0.00 33.47 29.34 2wdi s TRP 41 CO 0.00 -0.60 0.25 0.42 -0.51 0.00 0.00 176.95 176.51 2wdi s ILE 42 N 3.06 5.27 0.56 2.03 1.09 0.71 -4.89 121.20 129.03 2wdi s ILE 42 Ca 0.34 -0.08 -0.19 0.00 -1.10 0.00 0.00 60.65 59.62 2wdi s ILE 42 Cb -0.14 -3.70 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2wdi s ILE 42 CO 0.13 0.03 1.13 0.42 -0.10 0.00 0.00 174.94 176.55 2wdi s THR 43 N 1.78 3.18 0.52 2.92 -4.23 -1.26 -0.02 115.64 118.53 2wdi s THR 43 Ca 0.07 0.71 0.30 0.00 -1.18 0.00 0.00 61.69 61.59 2wdi s THR 43 Cb -0.17 -3.27 0.34 0.00 1.34 0.00 0.00 72.50 70.74 2wdi s THR 43 CO 0.11 -0.19 2.19 0.00 -0.54 0.00 0.00 174.62 176.19 2wdi h ALA 44 N 1.03 1.38 -0.31 3.99 0.00 -1.89 -1.22 119.26 122.25 2wdi h ALA 44 Ca -0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2wdi h ALA 44 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2wdi h ALA 44 CO 0.57 0.06 -0.03 1.96 0.00 0.00 0.00 179.25 181.81 2wdi h GLN 45 N 0.00 0.57 0.18 0.00 1.08 -1.91 -0.98 115.11 114.06 2wdi h GLN 45 Ca -0.00 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2wdi h GLN 45 Cb 0.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2wdi h GLN 45 CO 0.01 0.73 -0.13 1.96 -0.95 0.00 0.00 178.83 180.44 2wdi h GLN 46 N 0.36 -0.31 0.00 1.46 4.20 -1.56 -0.82 115.11 118.44 2wdi h GLN 46 Ca 0.09 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wdi h GLN 46 Cb 0.49 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2wdi h GLN 46 CO 0.02 -0.20 0.00 -0.89 -0.67 0.00 0.00 178.83 177.09 2wdi n ILE 47 N -5.25 0.00 0.10 2.54 5.41 -0.80 -0.58 119.36 120.78 2wdi n ILE 47 Ca -0.08 1.07 0.02 0.00 1.00 0.00 0.00 62.75 64.76 2wdi n ILE 47 Cb 0.17 -1.81 0.12 0.00 -0.71 0.00 0.00 39.64 37.41 2wdi n ILE 47 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2wdi n GLU 48 N -1.03 0.03 -0.04 0.38 4.07 -0.39 0.58 120.64 124.24 2wdi n GLU 48 Ca 0.00 0.38 -0.15 0.00 -0.06 0.00 0.00 57.16 57.33 2wdi n GLU 48 Cb 0.00 -2.05 -0.14 0.00 -0.06 0.00 0.00 31.44 29.19 2wdi n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdi n ALA 49 N -1.32 1.28 0.55 4.31 0.00 -0.32 -2.78 120.51 122.24 2wdi n ALA 49 Ca -0.00 -0.85 0.13 0.00 0.00 0.00 0.00 53.44 52.71 2wdi n ALA 49 Cb 0.45 -0.57 0.38 0.00 0.00 0.00 0.00 19.45 19.71 2wdi n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi h ALA 50 N 0.53 1.00 0.13 0.00 0.00 0.26 -2.63 119.26 118.55 2wdi h ALA 50 Ca -0.42 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.17 2wdi h ALA 50 Cb 2.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2wdi h ALA 50 CO 0.05 0.00 -1.64 -0.09 0.00 0.00 0.00 179.25 177.57 2wdi h ARG 51 N 0.00 0.27 -0.12 0.00 2.43 -1.17 -3.14 114.38 112.65 2wdi h ARG 51 Ca 0.00 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2wdi h ARG 51 Cb 0.76 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2wdi h ARG 51 CO 0.00 1.22 0.04 0.28 -1.51 0.00 0.00 179.97 180.00 2wdi h VAL 52 N -0.15 1.06 0.21 0.20 2.07 -1.49 -0.62 116.25 117.52 2wdi h VAL 52 Ca -0.35 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2wdi h VAL 52 Cb 1.89 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2wdi h VAL 52 CO 0.08 0.07 -0.35 0.00 0.02 0.00 0.00 177.57 177.39 2wdi h ALA 53 N 1.88 -0.66 -2.47 1.67 0.00 -1.50 0.25 119.26 118.42 2wdi h ALA 53 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wdi h ALA 53 Cb 0.06 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2wdi h ALA 53 CO -0.00 -0.92 0.00 -1.33 0.00 0.00 0.00 179.25 177.00 2wdi n MET 54 N -5.44 0.00 -0.48 0.00 2.00 -0.28 -0.02 117.12 112.89 2wdi n MET 54 Ca -0.08 0.38 0.40 0.00 0.00 0.00 0.00 57.70 58.41 2wdi n MET 54 Cb 0.35 -1.09 0.73 0.00 0.00 0.00 0.00 33.22 33.21 2wdi n MET 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2wdi h VAL 55 N 0.00 0.21 0.24 2.03 3.04 -1.48 -0.20 116.25 120.10 2wdi h VAL 55 Ca 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2wdi h VAL 55 Cb 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.43 2wdi h VAL 55 CO 0.00 0.01 -0.12 0.03 -1.01 0.00 0.00 177.57 176.48 2wdi h ARG 56 N 0.06 -0.32 0.00 4.17 2.47 0.26 -2.44 114.38 118.58 2wdi h ARG 56 Ca 0.76 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.50 2wdi h ARG 56 Cb 2.77 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 31.17 2wdi h ARG 56 CO -0.15 0.04 0.00 1.58 0.56 0.00 0.00 179.97 182.01 2wdi n HIS 57 N -5.02 0.00 -1.65 3.04 -0.00 0.97 -2.06 115.22 110.51 2wdi n HIS 57 Ca -0.08 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.76 2wdi n HIS 57 Cb 0.26 -0.11 -0.04 0.00 -0.12 0.00 0.00 29.99 29.99 2wdi n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2wdi n PHE 58 N -1.15 2.09 -1.43 1.57 1.16 -1.07 -4.93 117.46 113.70 2wdi n PHE 58 Ca 0.00 -2.56 -0.36 0.00 -1.87 0.00 0.00 57.45 52.66 2wdi n PHE 58 Cb 0.00 -1.85 -0.16 0.00 -1.61 0.00 0.00 39.48 35.86 2wdi n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wdi n ARG 59 N 1.99 0.00 0.00 3.97 1.85 -0.87 0.75 116.66 124.35 2wdi n ARG 59 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 2wdi n ARG 59 Cb 0.37 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2wdi n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdi n ARG 60 N 7.65 0.00 -0.18 2.89 1.74 -1.25 -5.05 116.66 122.46 2wdi n ARG 60 Ca 0.63 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.67 2wdi n ARG 60 Cb 0.05 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.52 2wdi n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 61 N -1.44 -2.27 0.00 -0.13 0.00 0.23 -5.04 105.19 96.54 2wdi n GLY 61 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2wdi n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 62 N 1.76 -2.66 3.81 -0.02 0.00 -1.24 -4.95 105.19 101.90 2wdi n GLY 62 Ca 0.02 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 2wdi n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdi s LYS 63 N 0.00 4.34 -0.21 1.61 2.20 -1.16 -4.89 119.74 121.62 2wdi s LYS 63 Ca 0.00 1.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.68 2wdi s LYS 63 Cb 0.00 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2wdi s LYS 63 CO 0.00 0.17 -0.05 0.42 -0.36 0.00 0.00 175.35 175.53 2wdi s ILE 64 N -1.85 3.34 -0.21 5.43 1.01 -1.26 -1.94 121.20 125.72 2wdi s ILE 64 Ca 0.54 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2wdi s ILE 64 Cb -0.14 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2wdi s ILE 64 CO 0.19 0.43 0.41 -0.36 0.00 0.00 0.00 174.94 175.62 2wdi s PHE 65 N 1.38 3.35 -0.34 3.97 0.08 0.17 -4.97 117.98 121.62 2wdi s PHE 65 Ca 0.05 0.61 -0.06 0.00 0.12 0.00 0.00 56.93 57.64 2wdi s PHE 65 Cb -0.14 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2wdi s PHE 65 CO -0.03 -0.06 0.10 0.96 -0.10 0.00 0.00 175.22 176.10 2wdi s ILE 66 N 1.47 3.78 -0.41 0.64 -4.36 -1.26 -1.33 121.20 119.74 2wdi s ILE 66 Ca 0.19 -1.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.51 2wdi s ILE 66 Cb -0.15 -3.14 0.64 0.00 1.25 0.00 0.00 42.46 41.06 2wdi s ILE 66 CO 0.08 -0.17 1.81 0.54 0.24 0.00 0.00 174.94 177.44 2wdi n ARG 67 N 4.81 2.22 -4.03 0.37 1.74 0.12 -4.94 116.66 116.94 2wdi n ARG 67 Ca -0.12 -3.06 -0.11 0.00 -0.77 0.00 0.00 57.85 53.79 2wdi n ARG 67 Cb 0.45 -2.10 -0.11 0.00 -1.02 0.00 0.00 32.46 29.68 2wdi n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wdi s ILE 68 N -3.28 0.33 -0.02 0.55 -4.36 -1.26 -4.86 121.20 108.31 2wdi s ILE 68 Ca 0.54 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 2wdi s ILE 68 Cb 0.46 -0.58 0.03 0.00 1.25 0.00 0.00 42.46 43.62 2wdi s ILE 68 CO 0.08 -0.51 0.02 0.12 0.24 0.00 0.00 174.94 174.90 2wdi s PHE 69 N -1.73 0.08 -0.86 1.37 5.36 -1.26 -5.06 117.98 115.87 2wdi s PHE 69 Ca -0.10 0.09 -0.25 0.00 -0.96 0.00 0.00 56.93 55.71 2wdi s PHE 69 Cb -0.08 -0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.40 2wdi s PHE 69 CO -0.01 -0.09 1.33 -1.25 -1.46 0.00 0.00 175.22 173.74 2wdi s PRO 70 N 0.95 3.38 -0.02 10.12 0.04 -1.26 -4.26 135.00 143.95 2wdi s PRO 70 Ca -0.08 -0.71 0.13 0.00 0.04 0.00 0.00 61.00 60.37 2wdi s PRO 70 Cb -0.12 -4.72 -0.20 0.00 0.04 0.00 0.00 34.50 29.50 2wdi s PRO 70 CO -0.02 -2.14 0.27 -0.40 0.04 0.00 0.00 177.00 174.74 2wdi n ASP 71 N 8.96 2.03 -4.68 6.66 5.75 -0.90 -4.03 116.55 130.34 2wdi n ASP 71 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.52 2wdi n ASP 71 Cb 0.50 1.54 -0.02 0.00 -1.03 0.00 0.00 41.12 42.10 2wdi n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wdi s LYS 72 N -2.86 4.36 -0.01 0.11 2.20 -0.94 -4.86 119.74 117.74 2wdi s LYS 72 Ca -0.05 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 2wdi s LYS 72 Cb 0.08 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2wdi s LYS 72 CO 0.54 -0.43 1.03 -2.14 -0.36 0.00 0.00 175.35 173.98 2wdi s PRO 73 N 2.40 4.51 0.02 4.03 0.02 -1.26 0.62 135.00 145.33 2wdi s PRO 73 Ca 0.49 1.48 -0.20 0.00 0.02 0.00 0.00 61.00 62.79 2wdi s PRO 73 Cb -0.19 -3.46 -0.06 0.00 0.02 0.00 0.00 34.50 30.82 2wdi s PRO 73 CO 0.16 -0.14 0.58 -0.47 -0.33 0.00 0.00 177.00 176.80 2wdi s TYR 74 N 1.22 3.72 -0.06 6.54 5.04 0.67 -4.64 117.35 129.84 2wdi s TYR 74 Ca 0.53 1.20 0.05 0.00 -2.44 0.00 0.00 57.07 56.41 2wdi s TYR 74 Cb -0.22 -2.56 -0.00 0.00 0.35 0.00 0.00 41.96 39.52 2wdi s TYR 74 CO 0.26 0.43 -0.20 0.99 -1.34 0.00 0.00 175.55 175.69 2wdi s THR 75 N -0.47 1.68 -0.10 4.34 2.01 -1.26 0.87 115.64 122.70 2wdi s THR 75 Ca 0.30 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2wdi s THR 75 Cb -0.18 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 70.91 2wdi s THR 75 CO 0.17 0.48 0.29 -0.75 -0.69 0.00 0.00 174.62 174.12 2wdi s LYS 76 N 0.05 0.38 0.39 4.92 2.20 -1.07 -4.91 119.74 121.69 2wdi s LYS 76 Ca -0.06 0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.79 2wdi s LYS 76 Cb -0.13 0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.30 2wdi s LYS 76 CO 0.04 -0.05 0.74 0.15 -0.36 0.00 0.00 175.35 175.87 2wdi s LYS 77 N -0.01 3.78 1.00 4.03 1.02 -1.26 -2.93 119.74 125.37 2wdi s LYS 77 Ca -0.02 0.43 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 2wdi s LYS 77 Cb -0.02 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2wdi s LYS 77 CO 0.01 0.00 -0.47 -2.30 -0.92 0.00 0.00 175.35 171.67 2wdi n PRO 78 N -1.20 -0.34 -2.47 -1.68 -0.02 -1.26 -4.85 135.00 123.18 2wdi n PRO 78 Ca 0.02 -0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.01 2wdi n PRO 78 Cb 0.54 -1.36 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 2wdi n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wdi s LEU 79 N 3.89 4.53 0.00 2.45 0.20 -1.26 -3.69 118.68 124.79 2wdi s LEU 79 Ca 0.47 2.22 0.00 0.00 0.69 0.00 0.00 54.13 57.51 2wdi s LEU 79 Cb -0.13 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2wdi s LEU 79 CO 0.73 -0.19 0.00 -0.62 -0.29 0.00 0.00 176.35 175.98 2wdi n GLU 80 N 1.63 -0.83 -1.86 1.98 1.02 -1.26 -5.01 120.64 116.30 2wdi n GLU 80 Ca 0.00 0.21 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 2wdi n GLU 80 Cb 0.45 -3.95 0.01 0.00 -0.02 0.00 0.00 31.44 27.93 2wdi n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdi s VAL 81 N -1.68 4.53 0.47 2.62 0.11 -1.24 -5.06 120.40 120.15 2wdi s VAL 81 Ca 0.00 0.87 0.05 0.00 -2.93 0.00 0.00 61.98 59.96 2wdi s VAL 81 Cb 0.00 -3.75 0.02 0.00 -1.53 0.00 0.00 36.38 31.12 2wdi s VAL 81 CO 0.00 -1.03 0.65 0.00 -3.33 0.00 0.00 175.10 171.39 2wdi s ARG 82 N -5.03 2.76 0.98 1.54 1.70 -1.26 -5.03 118.95 114.61 2wdi s ARG 82 Ca 0.56 -0.98 -0.14 0.00 -0.47 0.00 0.00 55.73 54.70 2wdi s ARG 82 Cb -0.12 -2.64 0.02 0.00 -0.57 0.00 0.00 34.95 31.64 2wdi s ARG 82 CO 0.52 -0.41 0.19 -1.33 -1.08 0.00 0.00 175.30 173.19 2wdi n MET 83 N -2.04 -0.41 -0.03 3.89 2.81 -1.26 -4.84 117.12 115.23 2wdi n MET 83 Ca 0.07 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2wdi n MET 83 Cb 0.59 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2wdi n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdi n GLY 84 N 1.81 -1.84 2.41 3.03 0.00 -1.26 -4.98 105.19 104.36 2wdi n GLY 84 Ca 0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 2wdi n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 85 N -0.63 -3.49 0.00 1.61 4.76 -1.26 -4.87 118.16 114.28 2wdi n LYS 85 Ca 0.00 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2wdi n LYS 85 Cb 0.02 -3.98 0.00 0.00 -1.84 0.00 0.00 35.03 29.23 2wdi n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdi n GLY 86 N -1.16 -1.81 3.70 0.72 0.00 -1.26 -4.97 105.19 100.41 2wdi n GLY 86 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2wdi n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdi s LYS 87 N 0.00 2.80 1.15 1.61 2.20 -1.26 -5.11 119.74 121.12 2wdi s LYS 87 Ca 0.00 -0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 54.81 2wdi s LYS 87 Cb 0.00 -2.68 0.22 0.00 -1.51 0.00 0.00 37.83 33.86 2wdi s LYS 87 CO 0.00 0.61 0.46 0.41 -0.36 0.00 0.00 175.35 176.47 2wdi n GLY 88 N 1.17 -2.83 3.95 5.54 0.00 -1.26 -5.01 105.19 106.75 2wdi n GLY 88 Ca -0.13 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 2wdi n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdi s ASN 89 N -2.26 4.62 -0.32 1.61 -0.87 -1.15 -4.80 114.94 111.77 2wdi s ASN 89 Ca 0.47 0.14 -0.20 0.00 -1.57 0.00 0.00 52.86 51.70 2wdi s ASN 89 Cb -0.09 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.25 40.42 2wdi s ASN 89 CO 0.44 -1.69 0.61 -0.69 -2.57 0.00 0.00 177.10 173.21 2wdi s VAL 90 N -3.19 4.94 -0.06 1.60 1.01 -1.26 -2.61 120.40 120.83 2wdi s VAL 90 Ca 0.62 0.72 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 2wdi s VAL 90 Cb -0.09 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 2wdi s VAL 90 CO 0.44 -0.19 0.62 -0.33 0.00 0.00 0.00 175.10 175.64 2wdi h GLU 91 N 8.29 -0.26 -2.73 2.72 4.39 0.16 -3.48 114.58 123.67 2wdi h GLU 91 Ca -0.27 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.53 2wdi h GLU 91 Cb 1.12 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2wdi h GLU 91 CO 0.80 0.05 0.42 0.20 -1.16 0.00 0.00 179.01 179.32 2wdi s GLY 92 N -3.28 0.16 0.26 -3.84 0.00 -1.22 -4.98 107.32 94.42 2wdi s GLY 92 Ca -0.09 -0.44 0.08 0.00 0.00 0.00 0.00 44.72 44.27 2wdi s GLY 92 CO 0.32 0.86 0.09 -0.19 0.00 0.00 0.00 173.10 174.18 2wdi s TYR 93 N -2.50 2.88 0.18 1.90 1.51 -1.26 0.24 117.35 120.30 2wdi s TYR 93 Ca 0.17 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.02 2wdi s TYR 93 Cb -0.04 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2wdi s TYR 93 CO 0.07 0.56 0.17 0.14 -1.11 0.00 0.00 175.55 175.38 2wdi s VAL 94 N -2.25 0.04 -0.11 0.71 -7.23 0.20 -2.77 120.40 108.99 2wdi s VAL 94 Ca 0.32 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2wdi s VAL 94 Cb -0.07 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 2wdi s VAL 94 CO 0.22 -0.18 -0.14 0.00 -0.31 0.00 0.00 175.10 174.69 2wdi s ALA 95 N -4.09 2.58 0.03 1.32 0.00 0.97 -2.12 121.76 120.46 2wdi s ALA 95 Ca 0.30 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2wdi s ALA 95 Cb 0.06 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2wdi s ALA 95 CO 0.07 0.30 0.83 0.08 0.00 0.00 0.00 175.76 177.04 2wdi s VAL 96 N 0.18 4.77 -0.16 0.00 1.01 -1.26 -0.21 120.40 124.74 2wdi s VAL 96 Ca -0.08 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 2wdi s VAL 96 Cb -0.15 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2wdi s VAL 96 CO 0.05 0.30 0.01 -0.69 0.00 0.00 0.00 175.10 174.77 2wdi s VAL 97 N 0.31 0.58 0.23 2.92 1.01 -0.74 -4.96 120.40 119.74 2wdi s VAL 97 Ca 0.42 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2wdi s VAL 97 Cb -0.21 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2wdi s VAL 97 CO 0.24 -0.03 0.36 -0.54 0.00 0.00 0.00 175.10 175.13 2wdi s LYS 98 N 1.85 3.45 0.05 2.72 1.02 -1.26 -0.54 119.74 127.03 2wdi s LYS 98 Ca 0.01 -0.68 -0.36 0.00 0.02 0.00 0.00 55.97 54.96 2wdi s LYS 98 Cb -0.15 -2.89 -0.16 0.00 -0.52 0.00 0.00 37.83 34.11 2wdi s LYS 98 CO -0.07 0.43 1.49 -2.30 -0.92 0.00 0.00 175.35 173.97 2wdi n PRO 99 N -1.22 1.46 0.00 -1.68 -0.02 -1.25 -2.44 135.00 129.86 2wdi n PRO 99 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2wdi n PRO 99 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2wdi n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdi n GLY 100 N 3.08 3.13 3.59 -1.23 0.00 0.68 -4.23 105.19 110.21 2wdi n GLY 100 Ca 0.19 -1.07 -0.48 0.00 0.00 0.00 0.00 46.02 44.66 2wdi n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdi n ARG 101 N 0.00 1.25 -3.43 1.61 3.00 -1.02 -4.48 116.66 113.59 2wdi n ARG 101 Ca 0.00 0.45 -0.44 0.00 -0.00 0.00 0.00 57.85 57.86 2wdi n ARG 101 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 32.46 30.43 2wdi n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2wdi s VAL 102 N -0.26 5.23 -0.02 5.15 1.01 0.20 -0.77 120.40 130.95 2wdi s VAL 102 Ca 0.71 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2wdi s VAL 102 Cb -0.82 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 2wdi s VAL 102 CO 0.53 -0.44 0.37 0.24 0.00 0.00 0.00 175.10 175.79 2wdi h MET 103 N 8.69 -0.14 -6.15 2.72 0.00 -1.15 -3.42 114.93 115.48 2wdi h MET 103 Ca -0.28 0.01 -0.50 0.00 0.00 0.00 0.00 59.70 58.93 2wdi h MET 103 Cb 1.11 0.03 -0.04 0.00 0.00 0.00 0.00 31.60 32.70 2wdi h MET 103 CO 0.80 -0.09 -0.42 -0.06 0.00 0.00 0.00 176.91 177.14 2wdi s PHE 104 N -2.06 2.75 -0.30 -0.22 2.99 -1.18 0.12 117.98 120.09 2wdi s PHE 104 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 56.93 56.29 2wdi s PHE 104 Cb 0.00 -2.02 0.19 0.00 0.00 0.00 0.00 43.02 41.19 2wdi s PHE 104 CO 0.06 0.02 1.17 -1.83 -0.00 0.00 0.00 175.22 174.64 2wdi s GLU 105 N -4.05 0.14 0.06 0.44 -1.05 -0.44 0.41 118.70 114.21 2wdi s GLU 105 Ca 0.45 0.32 0.01 0.00 -0.15 0.00 0.00 54.97 55.60 2wdi s GLU 105 Cb -0.03 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 2wdi s GLU 105 CO 0.27 -0.04 0.16 0.14 0.95 0.00 0.00 175.26 176.73 2wdi s VAL 106 N 1.93 5.08 0.09 1.83 -7.23 -0.15 0.45 120.40 122.41 2wdi s VAL 106 Ca -0.03 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2wdi s VAL 106 Cb -0.03 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 2wdi s VAL 106 CO -0.15 0.16 0.07 0.00 -0.31 0.00 0.00 175.10 174.87 2wdi s ALA 107 N -1.44 0.41 -0.72 1.32 0.00 -0.82 -1.68 121.76 118.83 2wdi s ALA 107 Ca 0.32 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2wdi s ALA 107 Cb -0.13 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2wdi s ALA 107 CO 0.25 -0.46 0.06 0.41 0.00 0.00 0.00 175.76 176.02 2wdi n GLY 108 N -0.02 0.05 3.29 0.00 0.00 -1.26 -2.97 105.19 104.29 2wdi n GLY 108 Ca -0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2wdi n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdi s VAL 109 N -2.52 0.07 0.72 1.61 1.01 -1.26 -3.64 120.40 116.40 2wdi s VAL 109 Ca 0.03 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2wdi s VAL 109 Cb -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2wdi s VAL 109 CO 0.04 -0.34 0.98 1.07 0.00 0.00 0.00 175.10 176.85 2wdi n THR 110 N 0.21 2.83 0.24 3.92 5.66 -1.26 -4.83 114.28 121.06 2wdi n THR 110 Ca -0.17 -0.37 0.13 0.00 -3.05 0.00 0.00 64.05 60.59 2wdi n THR 110 Cb 0.61 -1.11 0.40 0.00 -1.55 0.00 0.00 70.33 68.68 2wdi n THR 110 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2wdi h GLU 111 N -0.25 0.00 -0.01 1.09 4.11 -2.01 -1.32 114.58 116.18 2wdi h GLU 111 Ca -0.47 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.78 2wdi h GLU 111 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2wdi h GLU 111 CO 0.47 0.05 -0.80 1.05 0.07 0.00 0.00 179.01 179.85 2wdi h GLU 112 N 0.00 0.16 -0.03 1.06 4.11 -1.99 -2.08 114.58 115.80 2wdi h GLU 112 Ca -0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.36 59.16 2wdi h GLU 112 Cb 0.80 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2wdi h GLU 112 CO 0.01 0.87 -0.44 1.96 0.07 0.00 0.00 179.01 181.48 2wdi h GLN 113 N 0.09 0.35 0.14 1.06 4.20 -1.87 -3.07 115.11 116.01 2wdi h GLN 113 Ca -0.03 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.36 2wdi h GLN 113 Cb 1.40 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.22 2wdi h GLN 113 CO 0.12 1.01 -0.38 0.00 -0.67 0.00 0.00 178.83 178.91 2wdi h ALA 114 N 0.35 -0.67 -0.93 3.87 0.00 -1.24 0.82 119.26 121.47 2wdi h ALA 114 Ca -0.05 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.04 2wdi h ALA 114 Cb 1.14 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 2wdi h ALA 114 CO 0.09 -0.94 0.64 0.52 0.00 0.00 0.00 179.25 179.56 2wdi h MET 115 N -0.62 0.17 0.02 0.00 2.86 -1.47 -0.70 114.93 115.19 2wdi h MET 115 Ca 0.02 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 2wdi h MET 115 Cb 0.64 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2wdi h MET 115 CO -0.21 0.11 -1.02 1.49 1.06 0.00 0.00 176.91 178.34 2wdi h GLU 116 N 0.17 0.03 -0.73 1.72 4.57 -0.99 -3.07 114.58 116.28 2wdi h GLU 116 Ca 0.46 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.63 2wdi h GLU 116 Cb 1.54 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.10 2wdi h GLU 116 CO -0.09 1.03 0.45 0.00 -1.18 0.00 0.00 179.01 179.21 2wdi h ALA 117 N -0.32 0.98 0.00 2.92 0.00 0.94 -0.15 119.26 123.63 2wdi h ALA 117 Ca -0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2wdi h ALA 117 Cb 1.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2wdi h ALA 117 CO -0.13 0.19 -0.64 -0.07 0.00 0.00 0.00 179.25 178.60 2wdi h LEU 118 N 0.84 0.00 0.72 0.00 3.38 -1.33 -2.88 115.31 116.05 2wdi h LEU 118 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 2wdi h LEU 118 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wdi h LEU 118 CO -0.14 0.64 -0.35 -0.09 0.09 0.00 0.00 178.44 178.59 2wdi h ARG 119 N 0.00 -0.94 -0.84 1.13 2.43 -1.21 -2.46 114.38 112.48 2wdi h ARG 119 Ca -0.01 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.37 2wdi h ARG 119 Cb 1.23 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.92 2wdi h ARG 119 CO 0.08 -0.60 0.55 0.82 -1.51 0.00 0.00 179.97 179.31 2wdi h ILE 120 N -1.10 0.83 -0.61 1.20 1.08 -1.09 -1.61 117.51 116.21 2wdi h ILE 120 Ca -0.10 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.08 2wdi h ILE 120 Cb 0.77 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2wdi h ILE 120 CO 0.16 0.11 0.08 0.00 -0.69 0.00 0.00 178.15 177.81 2wdi h ALA 121 N 1.61 0.81 0.00 1.87 0.00 -1.35 -1.49 119.26 120.70 2wdi h ALA 121 Ca 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wdi h ALA 121 Cb 0.74 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdi h ALA 121 CO -0.17 0.58 0.17 0.78 0.00 0.00 0.00 179.25 180.61 2wdi h GLY 122 N 0.92 0.00 1.56 0.00 0.00 -0.81 0.17 103.07 104.91 2wdi h GLY 122 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.24 2wdi h GLY 122 CO 0.02 0.00 -1.30 0.45 0.00 0.00 0.00 176.54 175.70 2wdi h HIS 123 N 0.00 0.41 0.00 5.60 -0.00 -1.26 -3.18 115.15 116.71 2wdi h HIS 123 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2wdi h HIS 123 Cb 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2wdi h HIS 123 CO 0.00 1.26 0.00 1.63 -0.00 0.00 0.00 177.93 180.82 2wdi n LYS 124 N -3.47 0.28 -3.86 2.45 4.76 0.56 -4.81 118.16 114.07 2wdi n LYS 124 Ca -0.10 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.11 2wdi n LYS 124 Cb 1.02 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.68 2wdi n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdi s LEU 125 N -2.68 4.30 0.00 -0.35 1.43 -0.94 -4.78 118.68 115.67 2wdi s LEU 125 Ca 0.22 0.24 0.13 0.00 -1.03 0.00 0.00 54.13 53.69 2wdi s LEU 125 Cb 0.18 -2.99 0.75 0.00 0.03 0.00 0.00 46.19 44.15 2wdi s LEU 125 CO 0.43 0.02 1.48 -0.81 0.23 0.00 0.00 176.35 177.70 2wdi n PRO 126 N -0.58 1.00 -2.90 1.29 -0.04 -1.26 -4.92 135.00 127.59 2wdi n PRO 126 Ca -0.06 -0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2wdi n PRO 126 Cb 0.54 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 2wdi n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wdi n ILE 127 N -0.69 0.00 -3.59 0.52 -5.35 -1.26 -5.09 119.36 103.90 2wdi n ILE 127 Ca 0.09 -0.89 -0.37 0.00 -0.27 0.00 0.00 62.75 61.30 2wdi n ILE 127 Cb 0.04 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.21 2wdi n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wdi s LYS 128 N -2.58 3.88 0.27 6.28 -0.14 -1.26 -4.92 119.74 121.27 2wdi s LYS 128 Ca 0.08 0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.95 2wdi s LYS 128 Cb 0.00 -3.26 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 2wdi s LYS 128 CO 0.06 0.61 0.09 0.25 -0.76 0.00 0.00 175.35 175.60 2wdi n THR 129 N 2.24 0.00 -3.69 2.17 -2.24 -1.26 -1.20 114.28 110.30 2wdi n THR 129 Ca -0.15 -1.55 -0.12 0.00 -2.27 0.00 0.00 64.05 59.96 2wdi n THR 129 Cb 0.53 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 2wdi n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wdi s LYS 130 N -3.02 0.89 0.11 -0.78 2.20 -0.63 -4.81 119.74 113.70 2wdi s LYS 130 Ca 0.13 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.39 2wdi s LYS 130 Cb 0.01 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2wdi s LYS 130 CO 0.09 -0.30 -0.05 0.42 -0.36 0.00 0.00 175.35 175.15 2wdi s ILE 131 N -2.51 3.62 0.21 5.43 1.01 -1.26 -1.58 121.20 126.13 2wdi s ILE 131 Ca -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.35 2wdi s ILE 131 Cb -0.01 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2wdi s ILE 131 CO -0.03 0.08 0.22 0.68 0.00 0.00 0.00 174.94 175.89 2wdi s VAL 132 N -1.33 0.00 0.00 2.92 -7.23 -0.92 -4.98 120.40 108.86 2wdi s VAL 132 Ca 0.24 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2wdi s VAL 132 Cb -0.11 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2wdi s VAL 132 CO 0.16 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.49 2wdi n ARG 133 N -0.30 0.00 0.00 4.82 1.74 -1.26 -2.74 116.66 118.92 2wdi n ARG 133 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2wdi n ARG 133 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 2wdi n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdi n ARG 134 N -0.68 0.00 0.00 5.56 5.12 -1.26 -4.22 116.66 121.19 2wdi n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wdi n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wdi n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wdi n ASP 135 N 0.00 0.00 -2.98 0.55 5.75 -1.26 -4.19 116.55 114.43 2wdi n ASP 135 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2wdi n ASP 135 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2wdi n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdi n ALA 136 N -3.00 6.90 -0.71 2.12 0.00 -1.26 -4.30 120.51 120.26 2wdi n ALA 136 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.53 2wdi n ALA 136 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.38 2wdi n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdi n TYR 137 N 3.39 0.00 0.00 0.00 0.53 -1.26 -5.07 117.16 114.74 2wdi n TYR 137 Ca 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.54 2wdi n TYR 137 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 2wdi n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdi n ASP 138 N -1.69 0.00 -3.83 7.72 8.00 -1.26 -4.84 116.55 120.64 2wdi n ASP 138 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2wdi n ASP 138 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2wdi n ASP 138 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2wdi n GLU 139 N 0.02 3.67 -0.66 -1.24 4.07 -1.26 -4.98 120.64 120.26 2wdi n GLU 139 Ca 0.00 -4.59 0.00 0.00 -0.06 0.00 0.00 57.16 52.51 2wdi n GLU 139 Cb 0.00 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 2wdi n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdi n ALA 140 N 1.28 0.00 -0.77 4.31 0.00 -1.26 -5.29 120.51 118.78 2wdi n ALA 140 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdi n ALA 140 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2wdi n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54