#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsl h PRO 4 N 0.00 -0.03 -0.80 -0.67 0.11 -2.04 -0.89 132.00 127.68 2dsl h PRO 4 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2dsl h PRO 4 Cb 0.00 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 2dsl h PRO 4 CO 0.00 -0.02 0.40 0.35 -0.21 0.00 0.00 178.00 178.52 2dsl h PHE 5 N -0.03 1.14 -0.03 0.65 3.57 -2.04 0.04 116.94 120.24 2dsl h PHE 5 Ca 0.23 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2dsl h PHE 5 Cb 0.39 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2dsl h PHE 5 CO -0.44 0.82 -0.06 0.52 -2.23 0.00 0.00 178.31 176.92 2dsl h MET 6 N 1.13 -0.09 -0.38 1.11 2.86 -1.76 -1.98 114.93 115.82 2dsl h MET 6 Ca 0.28 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 2dsl h MET 6 Cb 0.09 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 2dsl h MET 6 CO -0.04 -0.06 0.05 0.93 1.06 0.00 0.00 176.91 178.85 2dsl h GLU 7 N -0.09 0.16 -0.07 1.72 5.08 -0.82 -1.68 114.58 118.88 2dsl h GLU 7 Ca 0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dsl h GLU 7 Cb 0.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dsl h GLU 7 CO -0.09 0.10 0.05 0.00 -1.00 0.00 0.00 179.01 178.07 2dsl h ALA 8 N 1.30 1.98 -0.01 3.43 0.00 -0.66 -0.80 119.26 124.50 2dsl h ALA 8 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dsl h ALA 8 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dsl h ALA 8 CO -0.27 0.02 -0.10 1.28 0.00 0.00 0.00 179.25 180.18 2dsl n LEU 9 N -4.53 1.47 -0.19 0.00 4.77 -0.77 -4.94 117.00 112.80 2dsl n LEU 9 Ca -0.02 -0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 55.47 2dsl n LEU 9 Cb 0.10 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2dsl n LEU 9 CO 0.34 0.25 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 2dsl n GLY 10 N 1.25 0.58 3.79 -0.72 0.00 -0.31 -4.81 105.19 104.97 2dsl n GLY 10 Ca 0.16 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 2dsl n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dsl s LEU 11 N -0.57 4.24 -0.02 0.99 1.43 -0.69 -4.66 118.68 119.40 2dsl s LEU 11 Ca 0.00 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.92 2dsl s LEU 11 Cb 0.00 -4.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.09 2dsl s LEU 11 CO 0.00 -0.13 -0.20 -0.54 0.23 0.00 0.00 176.35 175.70 2dsl s LYS 12 N -2.34 1.66 -0.30 1.70 -0.14 0.09 -4.58 119.74 115.82 2dsl s LYS 12 Ca 0.53 -0.72 -0.22 0.00 -1.36 0.00 0.00 55.97 54.20 2dsl s LYS 12 Cb -0.16 -1.59 -0.00 0.00 -1.68 0.00 0.00 37.83 34.39 2dsl s LYS 12 CO 0.21 0.43 0.71 0.08 -0.76 0.00 0.00 175.35 176.02 2dsl s VAL 13 N -0.45 4.86 -0.13 3.17 1.01 -1.26 -0.75 120.40 126.85 2dsl s VAL 13 Ca 0.07 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2dsl s VAL 13 Cb -0.08 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 2dsl s VAL 13 CO -0.01 -0.19 0.32 0.18 0.00 0.00 0.00 175.10 175.40 2dsl n LEU 14 N 6.04 1.95 -3.76 3.92 4.77 0.18 -4.97 117.00 125.13 2dsl n LEU 14 Ca 0.01 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2dsl n LEU 14 Cb 0.48 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 2dsl n LEU 14 CO 0.48 0.71 0.01 -2.28 -1.33 0.00 0.00 177.39 174.98 2dsl s HIS 15 N -2.56 -0.37 -0.20 -1.77 5.04 -1.05 -4.95 115.29 109.44 2dsl s HIS 15 Ca -0.18 0.90 -0.06 0.00 -1.54 0.00 0.00 55.06 54.18 2dsl s HIS 15 Cb 0.07 0.13 0.10 0.00 0.04 0.00 0.00 32.58 32.92 2dsl s HIS 15 CO 0.76 -0.18 0.39 -1.17 -2.34 0.00 0.00 174.74 172.20 2dsl s LEU 16 N 0.15 -0.60 0.22 8.88 2.96 -1.26 -0.52 118.68 128.51 2dsl s LEU 16 Ca -0.00 0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 54.62 2dsl s LEU 16 Cb -0.02 1.22 -0.02 0.00 0.50 0.00 0.00 46.19 47.86 2dsl s LEU 16 CO 0.01 -0.25 0.33 0.00 -1.32 0.00 0.00 176.35 175.12 2dsl s ALA 17 N 2.57 0.29 -0.35 5.97 0.00 -0.63 -5.01 121.76 124.60 2dsl s ALA 17 Ca 0.01 -1.17 -0.40 0.00 0.00 0.00 0.00 51.96 50.40 2dsl s ALA 17 Cb -0.13 1.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.99 2dsl s ALA 17 CO -0.13 -0.73 1.87 -2.30 0.00 0.00 0.00 175.76 174.47 2dsl n PRO 18 N -0.32 0.87 -0.94 0.00 -0.02 -1.26 -0.86 135.00 132.47 2dsl n PRO 18 Ca -0.01 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2dsl n PRO 18 Cb 0.63 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2dsl n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dsl n GLY 19 N 5.05 0.36 3.18 -1.23 0.00 -1.26 -4.97 105.19 106.32 2dsl n GLY 19 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 2dsl n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dsl s GLU 20 N -0.75 0.73 -0.10 1.61 -1.05 -0.04 -1.92 118.70 117.18 2dsl s GLU 20 Ca 0.00 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 2dsl s GLU 20 Cb 0.00 0.30 0.10 0.00 -0.44 0.00 0.00 34.13 34.09 2dsl s GLU 20 CO 0.00 -0.22 0.83 0.00 0.95 0.00 0.00 175.26 176.83 2dsl s ALA 21 N -3.04 -1.85 -0.09 -0.84 0.00 -1.02 -1.61 121.76 113.31 2dsl s ALA 21 Ca -0.01 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.39 2dsl s ALA 21 Cb 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2dsl s ALA 21 CO -0.06 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 175.31 2dsl s VAL 22 N -1.22 1.21 -0.04 0.00 1.01 0.32 -0.52 120.40 121.16 2dsl s VAL 22 Ca -0.06 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2dsl s VAL 22 Cb -0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2dsl s VAL 22 CO 0.05 0.38 -0.24 -0.69 0.00 0.00 0.00 175.10 174.60 2dsl s VAL 23 N 1.07 2.16 0.17 2.92 1.01 -0.41 -0.65 120.40 126.68 2dsl s VAL 23 Ca -0.06 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 60.96 2dsl s VAL 23 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2dsl s VAL 23 CO -0.01 0.58 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 2dsl s ALA 24 N -0.45 2.16 0.24 5.51 0.00 0.07 -0.36 121.76 128.92 2dsl s ALA 24 Ca 0.05 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 2dsl s ALA 24 Cb -0.11 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2dsl s ALA 24 CO 0.01 0.30 0.89 0.20 0.00 0.00 0.00 175.76 177.16 2dsl s GLY 25 N -2.62 0.03 0.05 0.00 0.00 -0.37 -0.73 107.32 103.68 2dsl s GLY 25 Ca 0.17 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 44.66 2dsl s GLY 25 CO 0.07 0.53 -0.21 1.85 0.00 0.00 0.00 173.10 175.34 2dsl s GLU 26 N -2.87 1.38 -0.51 2.90 2.12 -1.26 -0.83 118.70 119.63 2dsl s GLU 26 Ca 0.15 -0.95 -0.29 0.00 0.36 0.00 0.00 54.97 54.25 2dsl s GLU 26 Cb -0.03 -1.50 0.02 0.00 0.26 0.00 0.00 34.13 32.88 2dsl s GLU 26 CO 0.06 0.38 1.27 0.08 -0.54 0.00 0.00 175.26 176.51 2dsl s VAL 27 N -0.82 4.00 0.56 3.70 1.01 -0.02 -4.95 120.40 123.88 2dsl s VAL 27 Ca 0.07 0.96 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2dsl s VAL 27 Cb -0.09 -4.52 0.04 0.00 0.00 0.00 0.00 36.38 31.81 2dsl s VAL 27 CO 0.02 -1.08 0.79 -0.13 0.00 0.00 0.00 175.10 174.69 2dsl s ARG 28 N 4.91 2.47 0.48 2.72 0.52 -1.26 0.35 118.95 129.14 2dsl s ARG 28 Ca 0.50 -0.85 0.16 0.00 -0.52 0.00 0.00 55.73 55.02 2dsl s ARG 28 Cb -0.09 -2.49 1.16 0.00 0.52 0.00 0.00 34.95 34.05 2dsl s ARG 28 CO 0.29 -0.77 2.04 0.00 0.02 0.00 0.00 175.30 176.89 2dsl h ALA 29 N 0.04 2.08 -0.25 2.13 0.00 -1.99 -0.77 119.26 120.50 2dsl h ALA 29 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2dsl h ALA 29 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dsl h ALA 29 CO 0.50 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 2dsl n ASP 30 N -4.47 2.26 -0.16 0.00 5.75 -1.26 -3.51 116.55 115.16 2dsl n ASP 30 Ca 0.05 -2.20 0.03 0.00 -0.01 0.00 0.00 54.79 52.66 2dsl n ASP 30 Cb 0.30 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 2dsl n ASP 30 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2dsl n HIS 31 N 0.28 0.00 -3.15 2.11 8.25 -0.30 -5.05 115.22 117.36 2dsl n HIS 31 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 2dsl n HIS 31 Cb 0.45 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 2dsl n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dsl s LEU 32 N -1.00 4.02 0.00 2.41 1.43 -1.23 -0.88 118.68 123.43 2dsl s LEU 32 Ca 0.05 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2dsl s LEU 32 Cb 0.04 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2dsl s LEU 32 CO 0.11 -0.23 0.00 -0.90 0.23 0.00 0.00 176.35 175.56 2dsl n ASP 33 N -0.67 0.00 -0.22 2.29 5.68 0.29 -4.67 116.55 119.25 2dsl n ASP 33 Ca 0.02 -0.92 -0.01 0.00 -0.50 0.00 0.00 54.79 53.37 2dsl n ASP 33 Cb 0.53 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.71 2dsl n ASP 33 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 2dsl h LEU 34 N 0.00 0.89 -0.36 -2.12 -0.00 -1.99 0.01 115.31 111.75 2dsl h LEU 34 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2dsl h LEU 34 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2dsl h LEU 34 CO 0.00 0.72 0.00 1.41 -0.00 0.00 0.00 178.44 180.57 2dsl n HIS 35 N -4.36 0.20 -0.88 0.17 8.25 -1.26 -4.80 115.22 112.53 2dsl n HIS 35 Ca 0.07 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2dsl n HIS 35 Cb 0.10 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.55 2dsl n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dsl n GLY 36 N -1.28 0.55 3.74 -1.41 0.00 -0.01 -5.04 105.19 101.74 2dsl n GLY 36 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2dsl n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dsl s THR 37 N -2.00 2.37 -0.07 2.61 -4.23 -1.26 -4.41 115.64 108.65 2dsl s THR 37 Ca 0.00 -1.69 -0.36 0.00 -1.18 0.00 0.00 61.69 58.46 2dsl s THR 37 Cb 0.00 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.71 2dsl s THR 37 CO 0.00 -0.02 1.70 0.00 -0.54 0.00 0.00 174.62 175.76 2dsl n ALA 38 N -1.23 0.37 -1.77 3.99 0.00 0.81 -0.55 120.51 122.13 2dsl n ALA 38 Ca -0.01 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2dsl n ALA 38 Cb 0.64 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 2dsl n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2dsl s HIS 39 N 2.75 2.79 0.52 0.00 2.46 -0.06 -4.73 115.29 119.02 2dsl s HIS 39 Ca 0.90 1.29 0.20 0.00 0.47 0.00 0.00 55.06 57.93 2dsl s HIS 39 Cb -0.84 -3.85 1.30 0.00 -0.13 0.00 0.00 32.58 29.06 2dsl s HIS 39 CO 0.52 -2.45 2.06 0.78 -2.47 0.00 0.00 174.74 173.18 2dsl h GLY 40 N 3.11 0.06 1.97 1.59 0.00 -1.90 -0.48 103.07 107.42 2dsl h GLY 40 Ca -0.50 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2dsl h GLY 40 CO 0.64 0.01 -0.52 -1.33 0.00 0.00 0.00 176.54 175.34 2dsl h GLY 41 N 0.05 0.04 0.64 4.60 0.00 -1.95 -1.47 103.07 104.98 2dsl h GLY 41 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2dsl h GLY 41 CO -0.01 0.04 -0.16 -2.75 0.00 0.00 0.00 176.54 173.66 2dsl h PHE 42 N 0.03 0.32 -0.70 5.60 3.57 -1.41 -0.33 116.94 124.02 2dsl h PHE 42 Ca -0.00 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 2dsl h PHE 42 Cb 0.94 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2dsl h PHE 42 CO 0.00 0.76 0.32 -0.07 -2.23 0.00 0.00 178.31 177.10 2dsl h LEU 43 N -0.21 0.91 -0.38 0.59 3.38 -1.45 -1.25 115.31 116.91 2dsl h LEU 43 Ca 0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2dsl h LEU 43 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dsl h LEU 43 CO 0.04 0.78 -0.09 0.22 0.09 0.00 0.00 178.44 179.47 2dsl h TYR 44 N 1.00 0.83 -1.01 1.13 5.03 -1.21 -1.95 116.97 120.79 2dsl h TYR 44 Ca 0.24 -0.18 0.05 0.00 2.58 0.00 0.00 58.73 61.43 2dsl h TYR 44 Cb 0.12 -0.20 -0.06 0.00 1.55 0.00 0.00 36.73 38.14 2dsl h TYR 44 CO 0.01 0.88 0.66 0.00 -1.32 0.00 0.00 178.16 178.38 2dsl h ALA 45 N 0.83 1.37 -0.06 1.82 0.00 -0.60 0.43 119.26 123.05 2dsl h ALA 45 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dsl h ALA 45 Cb 0.61 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dsl h ALA 45 CO 0.04 0.50 0.02 1.25 0.00 0.00 0.00 179.25 181.06 2dsl h LEU 46 N 1.22 0.09 -0.43 0.00 5.85 -1.04 -1.06 115.31 119.94 2dsl h LEU 46 Ca 0.42 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2dsl h LEU 46 Cb 0.09 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2dsl h LEU 46 CO -0.15 0.24 0.03 0.00 -0.34 0.00 0.00 178.44 178.22 2dsl h ALA 47 N 0.85 0.58 -0.58 1.25 0.00 -0.81 -2.85 119.26 117.70 2dsl h ALA 47 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2dsl h ALA 47 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2dsl h ALA 47 CO -0.00 0.34 0.37 0.22 0.00 0.00 0.00 179.25 180.18 2dsl h ASP 48 N 0.59 0.68 -0.49 0.00 3.58 -0.09 -0.57 116.42 120.13 2dsl h ASP 48 Ca 0.13 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2dsl h ASP 48 Cb 0.45 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2dsl h ASP 48 CO 0.02 0.51 -0.02 0.28 -2.88 0.00 0.00 179.24 177.14 2dsl h SER 49 N 0.79 0.86 -0.50 2.28 0.02 -0.97 -0.18 113.55 115.84 2dsl h SER 49 Ca 0.21 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 2dsl h SER 49 Cb -0.06 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2dsl h SER 49 CO -0.04 0.97 -0.16 0.00 -1.14 0.00 0.00 176.83 176.46 2dsl h ALA 50 N 0.92 0.69 -0.43 3.77 0.00 -1.23 -2.04 119.26 120.94 2dsl h ALA 50 Ca 0.14 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dsl h ALA 50 Cb 0.54 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2dsl h ALA 50 CO 0.03 0.63 0.19 0.35 0.00 0.00 0.00 179.25 180.45 2dsl h PHE 51 N 0.84 0.35 -0.26 0.00 3.57 -0.90 -0.28 116.94 120.26 2dsl h PHE 51 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2dsl h PHE 51 Cb 0.73 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2dsl h PHE 51 CO 0.05 0.16 0.11 0.00 -2.23 0.00 0.00 178.31 176.40 2dsl h ALA 52 N 1.25 0.34 -0.55 2.41 0.00 -0.86 -1.34 119.26 120.51 2dsl h ALA 52 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2dsl h ALA 52 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2dsl h ALA 52 CO -0.16 -0.07 0.24 -0.07 0.00 0.00 0.00 179.25 179.18 2dsl h LEU 53 N 0.28 0.74 -0.38 0.00 3.38 -1.09 -0.78 115.31 117.46 2dsl h LEU 53 Ca 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2dsl h LEU 53 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2dsl h LEU 53 CO -0.01 0.69 0.11 0.00 0.09 0.00 0.00 178.44 179.33 2dsl h ALA 54 N 1.08 0.50 -0.29 1.53 0.00 -0.96 -2.96 119.26 118.16 2dsl h ALA 54 Ca 0.19 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2dsl h ALA 54 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dsl h ALA 54 CO -0.02 0.15 -0.20 0.66 0.00 0.00 0.00 179.25 179.84 2dsl h SER 55 N 0.47 0.54 0.29 0.00 4.64 -1.12 -2.78 113.55 115.58 2dsl h SER 55 Ca 0.12 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2dsl h SER 55 Cb 0.27 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2dsl h SER 55 CO -0.00 0.75 -0.03 0.78 -0.87 0.00 0.00 176.83 177.46 2dsl h ASN 56 N 0.49 0.00 0.27 4.97 2.35 -0.98 -2.19 115.58 120.49 2dsl h ASN 56 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2dsl h ASN 56 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2dsl h ASN 56 CO 0.04 0.03 0.00 0.35 -1.65 0.00 0.00 177.43 176.20 2dsl n THR 57 N -3.32 1.04 0.95 2.81 -2.24 -1.05 -1.52 114.28 110.96 2dsl n THR 57 Ca -0.02 0.53 0.10 0.00 -2.27 0.00 0.00 64.05 62.39 2dsl n THR 57 Cb 0.16 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 2dsl n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dsl n ARG 58 N -2.16 1.06 0.00 -0.78 5.12 -0.82 -4.82 116.66 114.26 2dsl n ARG 58 Ca 0.00 -0.73 0.00 0.00 -1.93 0.00 0.00 57.85 55.19 2dsl n ARG 58 Cb 0.10 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2dsl n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dsl n GLY 59 N 1.40 2.82 3.68 -0.13 0.00 -0.57 -5.07 105.19 107.31 2dsl n GLY 59 Ca 0.08 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2dsl n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dsl n PRO 60 N -1.24 2.04 -3.50 1.61 -0.04 -1.26 -4.36 135.00 128.24 2dsl n PRO 60 Ca 0.00 0.72 -0.17 0.00 -0.04 0.00 0.00 63.50 64.01 2dsl n PRO 60 Cb 0.00 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 2dsl n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dsl s ALA 61 N -0.80 -1.72 -0.04 0.55 0.00 -1.26 -1.65 121.76 116.84 2dsl s ALA 61 Ca 0.59 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.72 2dsl s ALA 61 Cb -0.60 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2dsl s ALA 61 CO 0.59 -0.46 -0.20 0.54 0.00 0.00 0.00 175.76 176.22 2dsl s VAL 62 N -1.80 2.54 0.27 0.00 0.11 -0.35 -4.91 120.40 116.26 2dsl s VAL 62 Ca -0.08 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 2dsl s VAL 62 Cb -0.00 -1.94 -0.10 0.00 -1.53 0.00 0.00 36.38 32.80 2dsl s VAL 62 CO 0.04 0.58 1.43 0.00 -3.33 0.00 0.00 175.10 173.83 2dsl s ALA 63 N -0.63 3.61 -0.14 1.54 0.00 -1.26 -0.03 121.76 124.85 2dsl s ALA 63 Ca 0.10 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 2dsl s ALA 63 Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2dsl s ALA 63 CO 0.00 -0.76 -0.30 1.28 0.00 0.00 0.00 175.76 175.99 2dsl n LEU 64 N 2.06 1.76 -3.88 0.00 4.77 0.14 -4.82 117.00 117.02 2dsl n LEU 64 Ca 0.06 0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 2dsl n LEU 64 Cb 0.40 -0.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.66 2dsl n LEU 64 CO 0.61 -0.33 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.40 2dsl s SER 65 N -5.83 0.44 0.02 -1.43 0.15 -1.17 -5.02 113.70 100.85 2dsl s SER 65 Ca -0.25 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2dsl s SER 65 Cb 0.03 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 2dsl s SER 65 CO 0.36 -0.02 -0.08 0.00 1.20 0.00 0.00 173.24 174.70 2dsl s ARG 67 N -0.77 1.88 -0.12 0.00 3.52 0.12 -4.97 118.95 118.61 2dsl s ARG 67 Ca -0.02 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 2dsl s ARG 67 Cb -0.06 -1.73 0.02 0.00 -1.56 0.00 0.00 34.95 31.62 2dsl s ARG 67 CO 0.00 0.40 -0.13 1.41 -0.81 0.00 0.00 175.30 176.18 2dsl s MET 68 N -0.33 2.04 -0.22 5.12 -2.45 -1.26 -0.84 119.30 121.36 2dsl s MET 68 Ca 0.04 -0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 53.98 2dsl s MET 68 Cb -0.10 -1.86 0.00 0.00 1.25 0.00 0.00 34.83 34.12 2dsl s MET 68 CO 0.01 -0.18 -0.06 -0.51 1.05 0.00 0.00 175.02 175.33 2dsl s ASP 69 N 1.35 4.19 -0.16 1.11 1.01 0.04 -4.99 116.67 119.22 2dsl s ASP 69 Ca 0.00 -0.52 -0.16 0.00 0.71 0.00 0.00 52.55 52.58 2dsl s ASP 69 Cb -0.14 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 2dsl s ASP 69 CO -0.07 -0.04 0.40 -0.31 0.21 0.00 0.00 175.17 175.36 2dsl s TYR 70 N 1.43 3.45 -0.11 4.23 2.02 -1.26 -0.95 117.35 126.16 2dsl s TYR 70 Ca 0.05 0.72 -0.00 0.00 -0.37 0.00 0.00 57.07 57.46 2dsl s TYR 70 Cb -0.15 -2.48 -0.07 0.00 -0.40 0.00 0.00 41.96 38.86 2dsl s TYR 70 CO -0.04 0.13 -0.11 1.19 -1.57 0.00 0.00 175.55 175.15 2dsl n PHE 71 N 3.90 0.00 -3.92 2.71 3.72 0.07 -4.99 117.46 118.94 2dsl n PHE 71 Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 2dsl n PHE 71 Cb 0.51 -0.43 -0.12 0.00 -0.94 0.00 0.00 39.48 38.50 2dsl n PHE 71 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dsl s ARG 72 N -2.22 0.21 0.49 -1.08 0.52 -0.95 -5.05 118.95 110.88 2dsl s ARG 72 Ca -0.15 -0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 2dsl s ARG 72 Cb 0.04 0.08 -0.08 0.00 0.52 0.00 0.00 34.95 35.51 2dsl s ARG 72 CO 0.25 -0.04 0.99 -1.25 0.02 0.00 0.00 175.30 175.28 2dsl s PRO 73 N -0.86 3.94 -0.01 3.54 0.04 -1.26 -4.85 135.00 135.54 2dsl s PRO 73 Ca -0.09 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.12 2dsl s PRO 73 Cb -0.06 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2dsl s PRO 73 CO -0.00 -0.28 -0.23 -0.51 0.04 0.00 0.00 177.00 176.01 2dsl s LEU 74 N -3.75 2.06 0.51 -3.56 1.43 -1.26 -5.00 118.68 109.11 2dsl s LEU 74 Ca 0.62 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2dsl s LEU 74 Cb -0.11 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.93 2dsl s LEU 74 CO 0.24 0.28 0.72 -0.83 0.23 0.00 0.00 176.35 176.99 2dsl s GLY 75 N -0.65 1.76 0.36 -3.19 0.00 -1.26 -0.13 107.32 104.21 2dsl s GLY 75 Ca 0.09 -1.29 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 2dsl s GLY 75 CO -0.00 -1.05 1.45 0.00 0.00 0.00 0.00 173.10 173.50 2dsl n ALA 76 N -2.21 2.09 0.00 3.20 0.00 -1.26 -2.29 120.51 120.04 2dsl n ALA 76 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2dsl n ALA 76 Cb 0.59 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2dsl n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dsl n GLY 77 N 0.76 3.33 3.75 0.00 0.00 0.16 -4.99 105.19 108.20 2dsl n GLY 77 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2dsl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsl n ALA 78 N -1.36 2.29 -2.68 4.61 0.00 -0.97 -4.55 120.51 117.85 2dsl n ALA 78 Ca 0.00 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 2dsl n ALA 78 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 2dsl n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dsl s ARG 79 N -1.26 4.35 0.09 0.00 3.00 -1.26 -0.84 118.95 123.02 2dsl s ARG 79 Ca 0.59 0.60 0.03 0.00 0.00 0.00 0.00 55.73 56.94 2dsl s ARG 79 Cb -0.50 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 30.99 2dsl s ARG 79 CO 0.56 0.18 -0.08 0.54 0.00 0.00 0.00 175.30 176.50 2dsl s VAL 80 N 0.49 0.77 0.06 3.52 0.11 -0.01 -4.29 120.40 121.05 2dsl s VAL 80 Ca 0.29 -1.67 0.04 0.00 -2.93 0.00 0.00 61.98 57.71 2dsl s VAL 80 Cb -0.16 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2dsl s VAL 80 CO 0.13 -0.66 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.52 2dsl s GLU 81 N -3.02 0.69 -0.18 1.54 2.02 0.03 -1.24 118.70 118.54 2dsl s GLU 81 Ca 0.05 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.17 2dsl s GLU 81 Cb -0.01 -0.55 0.02 0.00 0.10 0.00 0.00 34.13 33.69 2dsl s GLU 81 CO -0.02 0.11 -0.19 0.00 0.02 0.00 0.00 175.26 175.18 2dsl s ALA 82 N -1.44 2.35 -0.31 5.21 0.00 0.51 -0.44 121.76 127.65 2dsl s ALA 82 Ca -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2dsl s ALA 82 Cb -0.09 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.88 2dsl s ALA 82 CO 0.01 -0.36 0.01 1.03 0.00 0.00 0.00 175.76 176.45 2dsl s ARG 83 N 1.29 2.40 -0.08 0.00 0.52 0.23 -1.29 118.95 122.03 2dsl s ARG 83 Ca 0.05 -1.30 -0.12 0.00 -0.52 0.00 0.00 55.73 53.84 2dsl s ARG 83 Cb -0.13 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2dsl s ARG 83 CO -0.13 -0.65 0.29 0.00 0.02 0.00 0.00 175.30 174.83 2dsl s ALA 84 N 1.25 3.73 0.02 2.13 0.00 0.32 -1.50 121.76 127.72 2dsl s ALA 84 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2dsl s ALA 84 Cb -0.20 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2dsl s ALA 84 CO -0.01 0.43 -0.05 0.14 0.00 0.00 0.00 175.76 176.27 2dsl s VAL 85 N -0.67 0.33 -0.01 0.00 -7.23 -0.16 -2.42 120.40 110.25 2dsl s VAL 85 Ca 0.19 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 2dsl s VAL 85 Cb -0.14 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 2dsl s VAL 85 CO 0.08 -0.31 0.93 -0.70 -0.31 0.00 0.00 175.10 174.79 2dsl s GLU 86 N -1.17 4.54 -0.19 4.82 2.12 -0.81 -1.05 118.70 126.96 2dsl s GLU 86 Ca -0.09 1.32 0.09 0.00 0.36 0.00 0.00 54.97 56.65 2dsl s GLU 86 Cb -0.08 -3.45 -0.18 0.00 0.26 0.00 0.00 34.13 30.68 2dsl s GLU 86 CO -0.00 -0.01 -0.06 0.28 -0.54 0.00 0.00 175.26 174.93 2dsl n VAL 87 N 3.81 1.23 -3.68 3.70 0.31 0.52 -4.91 118.33 119.31 2dsl n VAL 87 Ca 0.04 -0.62 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 2dsl n VAL 87 Cb 0.51 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.47 2dsl n VAL 87 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2dsl s ASN 88 N -5.60 -0.57 -0.20 4.52 2.47 -0.90 -4.96 114.94 109.70 2dsl s ASN 88 Ca -0.18 1.07 -0.02 0.00 0.42 0.00 0.00 52.86 54.15 2dsl s ASN 88 Cb 0.06 1.09 0.06 0.00 -1.45 0.00 0.00 41.25 41.01 2dsl s ASN 88 CO 0.62 -0.21 0.01 -0.22 -3.72 0.00 0.00 177.10 173.59 2dsl s LEU 89 N 0.21 1.46 0.47 3.21 2.96 -1.26 -0.79 118.68 124.94 2dsl s LEU 89 Ca -0.01 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.09 2dsl s LEU 89 Cb -0.04 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 2dsl s LEU 89 CO 0.01 -0.28 0.19 -0.44 -1.32 0.00 0.00 176.35 174.50 2dsl s SER 90 N 1.76 4.37 0.34 3.68 0.01 0.63 -5.02 113.70 119.47 2dsl s SER 90 Ca -0.02 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 55.98 2dsl s SER 90 Cb -0.17 0.03 0.60 0.00 0.21 0.00 0.00 66.02 66.69 2dsl s SER 90 CO -0.07 -0.77 1.92 -0.09 0.41 0.00 0.00 173.24 174.63 2dsl h ARG 91 N 1.24 0.67 0.00 12.44 2.43 -2.02 -3.33 114.38 125.82 2dsl h ARG 91 Ca -0.42 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2dsl h ARG 91 Cb 1.28 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2dsl h ARG 91 CO 0.68 0.57 -1.01 0.54 -1.51 0.00 0.00 179.97 179.24 2dsl n ARG 92 N -4.34 1.59 -4.22 0.20 5.12 -1.26 -4.82 116.66 108.92 2dsl n ARG 92 Ca 0.03 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 2dsl n ARG 92 Cb 0.17 -1.06 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 2dsl n ARG 92 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dsl s THR 93 N -2.22 0.13 -0.06 0.55 -4.23 -1.25 -0.43 115.64 108.13 2dsl s THR 93 Ca -0.01 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 2dsl s THR 93 Cb 0.05 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2dsl s THR 93 CO 0.28 -0.06 0.37 0.00 -0.54 0.00 0.00 174.62 174.67 2dsl s ALA 94 N -4.06 -0.93 -0.02 3.99 0.00 -0.97 -0.27 121.76 119.50 2dsl s ALA 94 Ca 0.37 0.65 0.04 0.00 0.00 0.00 0.00 51.96 53.02 2dsl s ALA 94 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2dsl s ALA 94 CO 0.11 -0.25 -0.15 0.99 0.00 0.00 0.00 175.76 176.47 2dsl s THR 95 N -0.85 1.17 0.08 0.00 2.01 0.03 -0.69 115.64 117.39 2dsl s THR 95 Ca -0.09 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2dsl s THR 95 Cb -0.04 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2dsl s THR 95 CO 0.04 0.34 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.83 2dsl s TYR 96 N -0.24 1.35 -0.11 4.92 1.51 0.15 -0.35 117.35 124.59 2dsl s TYR 96 Ca 0.03 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2dsl s TYR 96 Cb -0.07 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 2dsl s TYR 96 CO -0.00 0.09 -0.05 0.50 -1.11 0.00 0.00 175.55 174.98 2dsl s ARG 97 N -1.76 3.18 -0.13 -0.62 3.52 -0.22 -1.53 118.95 121.39 2dsl s ARG 97 Ca -0.00 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 2dsl s ARG 97 Cb -0.10 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2dsl s ARG 97 CO 0.03 0.47 -0.05 0.08 -0.81 0.00 0.00 175.30 175.03 2dsl s VAL 98 N -0.29 0.91 -0.14 7.11 1.01 0.12 -0.99 120.40 128.15 2dsl s VAL 98 Ca 0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2dsl s VAL 98 Cb -0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2dsl s VAL 98 CO 0.02 0.21 0.35 -1.61 0.00 0.00 0.00 175.10 174.08 2dsl s GLU 99 N 1.73 4.26 -0.31 2.72 2.02 -0.56 -0.41 118.70 128.16 2dsl s GLU 99 Ca 0.03 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 2dsl s GLU 99 Cb -0.14 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2dsl s GLU 99 CO -0.08 0.23 0.19 0.08 0.02 0.00 0.00 175.26 175.71 2dsl s VAL 100 N 0.45 5.05 0.05 2.63 1.01 -0.31 -0.60 120.40 128.68 2dsl s VAL 100 Ca 0.20 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2dsl s VAL 100 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2dsl s VAL 100 CO 0.06 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.39 2dsl s VAL 101 N 1.70 1.66 -0.13 2.92 1.01 0.42 -0.13 120.40 127.85 2dsl s VAL 101 Ca 0.06 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 2dsl s VAL 101 Cb -0.17 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.81 2dsl s VAL 101 CO 0.09 0.16 0.32 -0.55 0.00 0.00 0.00 175.10 175.12 2dsl s SER 102 N -1.27 -0.36 -1.54 3.32 0.15 -0.53 -0.79 113.70 112.68 2dsl s SER 102 Ca 0.07 0.68 -0.14 0.00 0.70 0.00 0.00 55.95 57.26 2dsl s SER 102 Cb -0.09 0.57 0.10 0.00 -1.71 0.00 0.00 66.02 64.89 2dsl s SER 102 CO 0.02 -0.18 0.86 -0.62 1.20 0.00 0.00 173.24 174.52 2dsl n GLU 103 N 4.27 -4.66 -0.93 5.44 -0.58 -1.26 -1.08 120.64 121.85 2dsl n GLU 103 Ca -0.24 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2dsl n GLU 103 Cb 0.54 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 26.04 2dsl n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dsl n GLY 104 N -1.54 0.70 3.60 0.62 0.00 -1.26 -5.01 105.19 102.29 2dsl n GLY 104 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2dsl n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dsl s LYS 105 N -0.25 2.62 -0.45 1.61 1.02 -0.24 -5.07 119.74 118.97 2dsl s LYS 105 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 2dsl s LYS 105 Cb 0.00 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2dsl s LYS 105 CO 0.00 0.62 1.19 -1.17 -0.92 0.00 0.00 175.35 175.07 2dsl s LEU 106 N -1.31 3.65 -0.01 3.17 2.96 -1.26 -1.45 118.68 124.43 2dsl s LEU 106 Ca 0.16 0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2dsl s LEU 106 Cb -0.11 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.75 2dsl s LEU 106 CO 0.06 -1.26 0.81 0.58 -1.32 0.00 0.00 176.35 175.22 2dsl h VAL 107 N 6.24 1.09 -2.79 1.68 2.07 -0.86 -3.41 116.25 120.26 2dsl h VAL 107 Ca -0.24 -2.73 0.05 0.00 0.82 0.00 0.00 66.70 64.60 2dsl h VAL 107 Cb 1.07 2.75 -0.11 0.00 -1.52 0.00 0.00 31.29 33.48 2dsl h VAL 107 CO 1.11 0.82 0.30 0.00 0.02 0.00 0.00 177.57 179.82 2dsl s ALA 108 N -2.61 -1.56 -0.09 1.67 0.00 -1.12 -0.75 121.76 117.30 2dsl s ALA 108 Ca -0.10 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2dsl s ALA 108 Cb 0.07 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2dsl s ALA 108 CO 0.85 -0.85 -0.13 -1.17 0.00 0.00 0.00 175.76 174.47 2dsl s LEU 109 N -2.76 1.60 -0.10 0.00 2.96 -0.13 -1.16 118.68 119.09 2dsl s LEU 109 Ca 0.05 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2dsl s LEU 109 Cb -0.02 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 2dsl s LEU 109 CO -0.06 -0.00 -0.13 0.12 -1.32 0.00 0.00 176.35 174.96 2dsl s PHE 110 N 0.98 2.78 -0.09 5.38 2.19 0.45 -0.78 117.98 128.90 2dsl s PHE 110 Ca -0.08 -0.41 0.02 0.00 0.33 0.00 0.00 56.93 56.79 2dsl s PHE 110 Cb -0.15 -1.75 0.01 0.00 -1.31 0.00 0.00 43.02 39.82 2dsl s PHE 110 CO -0.01 -0.02 -0.13 0.99 1.83 0.00 0.00 175.22 177.88 2dsl s THR 111 N -0.13 1.27 -0.01 0.12 2.01 -0.02 0.15 115.64 119.04 2dsl s THR 111 Ca -0.01 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 2dsl s THR 111 Cb -0.14 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.20 2dsl s THR 111 CO 0.03 0.39 0.13 -0.83 -0.69 0.00 0.00 174.62 173.66 2dsl s GLY 112 N 0.90 0.01 -0.03 4.40 0.00 -0.58 0.15 107.32 112.16 2dsl s GLY 112 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 44.72 44.69 2dsl s GLY 112 CO 0.01 -0.11 -0.24 -1.59 0.00 0.00 0.00 173.10 171.17 2dsl s THR 113 N -0.99 1.90 0.26 0.90 2.01 -0.35 -0.67 115.64 118.71 2dsl s THR 113 Ca -0.11 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 60.99 2dsl s THR 113 Cb -0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2dsl s THR 113 CO 0.01 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.06 2dsl s VAL 114 N -0.41 3.01 -0.26 3.82 -7.23 0.14 -0.68 120.40 118.80 2dsl s VAL 114 Ca 0.05 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2dsl s VAL 114 Cb -0.11 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2dsl s VAL 114 CO 0.01 -0.35 0.09 0.12 -0.31 0.00 0.00 175.10 174.66 2dsl s PHE 115 N -2.32 3.11 -0.01 2.82 2.19 0.96 -2.28 117.98 122.45 2dsl s PHE 115 Ca 0.30 -0.38 -0.30 0.00 0.33 0.00 0.00 56.93 56.88 2dsl s PHE 115 Cb -0.06 -2.27 -0.03 0.00 -1.31 0.00 0.00 43.02 39.35 2dsl s PHE 115 CO 0.17 -0.35 1.03 1.03 1.83 0.00 0.00 175.22 178.93 2dsl s ARG 116 N 1.63 4.51 0.00 10.12 0.52 0.42 -1.21 118.95 134.95 2dsl s ARG 116 Ca 0.06 1.48 0.28 0.00 -0.52 0.00 0.00 55.73 57.03 2dsl s ARG 116 Cb -0.15 -3.46 0.95 0.00 0.52 0.00 0.00 34.95 32.81 2dsl s ARG 116 CO 0.05 -0.13 1.69 1.28 0.02 0.00 0.00 175.30 178.20