#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dus s VAL 2 N 0.00 4.06 -0.03 6.31 1.01 -1.26 -3.48 120.40 127.01 3dus s VAL 2 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3dus s VAL 2 Cb 0.00 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3dus s VAL 2 CO 0.00 0.26 -0.03 -0.75 0.00 0.00 0.00 175.10 174.58 3dus s LYS 3 N -0.03 0.53 -0.17 2.72 2.20 -0.63 -4.97 119.74 119.40 3dus s LYS 3 Ca 0.50 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 56.06 3dus s LYS 3 Cb -0.28 -0.60 0.05 0.00 -1.51 0.00 0.00 37.83 35.49 3dus s LYS 3 CO 0.33 -0.06 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.71 3dus s LEU 4 N 0.74 1.61 -0.25 5.43 1.43 -1.26 -1.96 118.68 124.42 3dus s LEU 4 Ca -0.09 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3dus s LEU 4 Cb -0.12 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.29 3dus s LEU 4 CO -0.01 -0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 175.57 3dus s VAL 5 N 1.65 2.12 0.48 -1.59 1.01 0.85 -3.95 120.40 120.98 3dus s VAL 5 Ca -0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 60.33 3dus s VAL 5 Cb -0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3dus s VAL 5 CO -0.07 -0.01 0.81 -1.61 0.00 0.00 0.00 175.10 174.22 3dus s GLU 6 N 1.13 3.61 0.13 2.72 8.01 -1.26 -0.10 118.70 132.93 3dus s GLU 6 Ca -0.08 0.33 -0.25 0.00 0.01 0.00 0.00 54.97 54.98 3dus s GLU 6 Cb -0.20 -2.35 0.07 0.00 -4.31 0.00 0.00 34.13 27.35 3dus s GLU 6 CO -0.05 -0.20 0.78 -1.54 0.01 0.00 0.00 175.26 174.25 3dus s SER 7 N -3.88 -0.38 0.00 -0.19 1.04 0.77 -4.83 113.70 106.24 3dus s SER 7 Ca 0.49 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3dus s SER 7 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3dus s SER 7 CO 0.43 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3dus n GLY 8 N -0.37 1.88 3.92 7.32 0.00 -1.26 -0.77 105.19 115.92 3dus n GLY 8 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3dus n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dus s GLY 9 N -2.00 1.57 0.00 -0.02 0.00 -1.26 -4.68 107.32 100.92 3dus s GLY 9 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3dus s GLY 9 CO 0.00 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3dus n GLY 10 N -0.77 -1.80 3.72 0.20 0.00 -0.80 -4.94 105.19 100.81 3dus n GLY 10 Ca -0.08 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3dus n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dus s LEU 11 N 0.00 4.38 0.21 0.99 2.96 -1.25 -3.21 118.68 122.76 3dus s LEU 11 Ca 0.00 2.46 -0.02 0.00 -0.22 0.00 0.00 54.13 56.34 3dus s LEU 11 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3dus s LEU 11 CO 0.00 -0.70 0.19 0.68 -1.32 0.00 0.00 176.35 175.20 3dus s VAL 12 N 0.92 0.00 0.05 1.68 -7.23 -0.60 -4.97 120.40 110.25 3dus s VAL 12 Ca 0.65 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 3dus s VAL 12 Cb -0.39 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3dus s VAL 12 CO 0.32 0.00 -0.24 0.00 -0.31 0.00 0.00 175.10 174.87 3dus s GLN 13 N -4.10 1.86 0.53 4.82 1.03 -1.26 -1.06 119.66 121.48 3dus s GLN 13 Ca 0.37 -1.09 -0.21 0.00 0.04 0.00 0.00 55.36 54.47 3dus s GLN 13 Cb 0.06 -2.03 -0.07 0.00 0.03 0.00 0.00 33.01 30.99 3dus s GLN 13 CO 0.12 0.52 0.92 -2.30 -2.54 0.00 0.00 175.29 172.01 3dus n PRO 14 N 1.69 1.03 0.00 9.60 -0.02 -1.25 -2.16 135.00 143.89 3dus n PRO 14 Ca -0.17 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3dus n PRO 14 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3dus n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dus n GLY 15 N 1.31 3.09 0.00 -1.23 0.00 -1.26 -4.81 105.19 102.30 3dus n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dus n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dus n GLY 16 N -1.55 -2.58 3.23 -0.02 0.00 -0.92 -3.68 105.19 99.68 3dus n GLY 16 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 3dus n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dus s SER 17 N -1.57 1.95 -0.20 1.61 0.01 -1.26 -1.60 113.70 112.65 3dus s SER 17 Ca 0.00 -0.79 -0.13 0.00 1.31 0.00 0.00 55.95 56.33 3dus s SER 17 Cb 0.00 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.23 3dus s SER 17 CO 0.00 -0.14 0.49 -0.22 0.41 0.00 0.00 173.24 173.78 3dus s LEU 18 N -2.39 -0.18 -0.33 2.44 2.96 -1.22 -5.05 118.68 114.91 3dus s LEU 18 Ca 0.08 1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.96 3dus s LEU 18 Cb -0.05 1.66 0.03 0.00 0.50 0.00 0.00 46.19 48.33 3dus s LEU 18 CO 0.03 -0.19 0.11 -0.60 -1.32 0.00 0.00 176.35 174.37 3dus s ARG 19 N 1.05 2.77 -0.06 1.98 3.52 -1.26 -2.14 118.95 124.81 3dus s ARG 19 Ca -0.06 -1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 54.31 3dus s ARG 19 Cb -0.06 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 3dus s ARG 19 CO -0.09 -0.61 0.38 -0.51 -0.81 0.00 0.00 175.30 173.66 3dus s LEU 20 N 1.44 4.39 0.23 -0.88 1.02 -0.83 -4.66 118.68 119.39 3dus s LEU 20 Ca -0.00 0.81 0.10 0.00 0.02 0.00 0.00 54.13 55.07 3dus s LEU 20 Cb -0.19 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 3dus s LEU 20 CO 0.03 0.23 -0.14 -0.44 0.02 0.00 0.00 176.35 176.05 3dus s SER 21 N -0.46 3.94 -0.28 2.29 0.01 0.05 -1.27 113.70 117.99 3dus s SER 21 Ca 0.22 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3dus s SER 21 Cb -0.15 -0.52 0.15 0.00 0.21 0.00 0.00 66.02 65.71 3dus s SER 21 CO 0.10 0.07 0.40 0.00 0.41 0.00 0.00 173.24 174.22 3dus s ALA 23 N 2.53 3.26 0.43 0.00 0.00 0.85 -0.90 121.76 127.93 3dus s ALA 23 Ca 0.10 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3dus s ALA 23 Cb -0.13 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3dus s ALA 23 CO -0.28 0.21 0.05 0.95 0.00 0.00 0.00 175.76 176.69 3dus s THR 24 N -1.58 1.17 0.00 0.00 -4.23 -1.11 -0.11 115.64 109.78 3dus s THR 24 Ca 0.48 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3dus s THR 24 Cb -0.19 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3dus s THR 24 CO 0.23 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.77 3dus n SER 25 N -1.10 0.00 -0.00 3.99 3.41 -0.83 -4.92 113.62 114.16 3dus n SER 25 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3dus n SER 25 Cb 0.66 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3dus n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dus n GLY 26 N -0.22 0.48 3.50 5.00 0.00 -1.23 -1.60 105.19 111.13 3dus n GLY 26 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3dus n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dus s PHE 27 N -2.00 -0.41 -0.73 1.61 -0.71 -1.26 -4.30 117.98 110.18 3dus s PHE 27 Ca 0.00 0.38 -0.26 0.00 -1.04 0.00 0.00 56.93 56.02 3dus s PHE 27 Cb 0.00 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 3dus s PHE 27 CO 0.00 -0.57 1.94 0.99 -1.34 0.00 0.00 175.22 176.24 3dus s THR 28 N -2.73 3.37 0.23 -4.49 2.01 -1.26 -4.86 115.64 107.90 3dus s THR 28 Ca 0.02 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 3dus s THR 28 Cb -0.01 -3.90 0.25 0.00 0.01 0.00 0.00 72.50 68.86 3dus s THR 28 CO -0.06 -0.86 1.56 0.15 -0.69 0.00 0.00 174.62 174.72 3dus h PHE 29 N 13.60 -0.99 0.00 4.92 3.57 -1.96 0.61 116.94 136.70 3dus h PHE 29 Ca -0.11 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3dus h PHE 29 Cb 1.10 0.57 0.00 0.00 2.79 0.00 0.00 35.95 40.41 3dus h PHE 29 CO 1.11 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 177.04 3dus n THR 30 N -5.49 0.57 0.32 4.41 -2.24 -1.26 -2.78 114.28 107.82 3dus n THR 30 Ca 0.10 0.14 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 3dus n THR 30 Cb 0.40 -0.80 0.43 0.00 -2.10 0.00 0.00 70.33 68.26 3dus n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dus h ASP 31 N 0.00 0.00 -2.41 3.42 5.19 -1.27 -1.27 116.42 120.08 3dus h ASP 31 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3dus h ASP 31 Cb 0.30 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.68 3dus h ASP 31 CO 0.00 0.00 -0.64 -0.31 -3.12 0.00 0.00 179.24 175.17 3dus s TYR 32 N -3.37 2.22 0.87 4.55 2.02 -1.12 -4.83 117.35 117.69 3dus s TYR 32 Ca 0.05 -0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 55.92 3dus s TYR 32 Cb 0.08 -1.39 0.12 0.00 -0.40 0.00 0.00 41.96 40.36 3dus s TYR 32 CO 0.58 0.34 1.21 0.71 -1.57 0.00 0.00 175.55 176.82 3dus s TYR 33 N -2.89 2.53 -0.13 2.71 1.51 -0.27 -3.99 117.35 116.82 3dus s TYR 33 Ca 0.33 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 57.01 3dus s TYR 33 Cb 0.06 -3.63 0.06 0.00 -0.11 0.00 0.00 41.96 38.35 3dus s TYR 33 CO 0.15 -2.10 0.18 -1.64 -1.11 0.00 0.00 175.55 171.03 3dus s MET 34 N -5.61 0.09 0.23 -0.62 -1.94 -0.92 -2.27 119.30 108.26 3dus s MET 34 Ca 0.65 0.45 0.07 0.00 -1.71 0.00 0.00 55.69 55.15 3dus s MET 34 Cb -0.10 -0.60 -0.04 0.00 2.01 0.00 0.00 34.83 36.10 3dus s MET 34 CO 0.51 -0.42 0.17 -1.12 -0.01 0.00 0.00 175.02 174.14 3dus s SER 35 N 2.31 5.46 -0.19 3.03 0.01 -0.93 -1.07 113.70 122.31 3dus s SER 35 Ca 0.04 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 3dus s SER 35 Cb -0.13 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.73 3dus s SER 35 CO -0.08 -0.01 -0.15 0.26 0.41 0.00 0.00 173.24 173.67 3dus s TRP 36 N -2.06 2.83 -0.04 2.43 0.52 0.50 -1.24 118.94 121.89 3dus s TRP 36 Ca 0.32 -1.42 0.06 0.00 0.02 0.00 0.00 56.10 55.09 3dus s TRP 36 Cb -0.08 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 3dus s TRP 36 CO 0.24 -0.72 -0.24 0.08 0.02 0.00 0.00 176.95 176.33 3dus s VAL 37 N 1.34 2.19 0.20 4.03 1.01 0.12 0.29 120.40 129.59 3dus s VAL 37 Ca 0.05 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3dus s VAL 37 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3dus s VAL 37 CO -0.10 0.58 -0.20 0.00 0.00 0.00 0.00 175.10 175.38 3dus s ARG 38 N -0.39 1.43 -0.28 2.72 1.70 0.11 0.53 118.95 124.78 3dus s ARG 38 Ca 0.03 -1.53 -0.03 0.00 -0.47 0.00 0.00 55.73 53.73 3dus s ARG 38 Cb -0.12 -1.55 0.10 0.00 -0.57 0.00 0.00 34.95 32.82 3dus s ARG 38 CO 0.01 0.31 0.16 -1.14 -1.08 0.00 0.00 175.30 173.57 3dus s GLN 39 N -2.97 0.21 0.33 3.89 0.74 -0.75 0.77 119.66 121.87 3dus s GLN 39 Ca 0.20 -0.38 -0.29 0.00 0.05 0.00 0.00 55.36 54.95 3dus s GLN 39 Cb -0.06 -1.11 -0.12 0.00 1.10 0.00 0.00 33.01 32.82 3dus s GLN 39 CO 0.09 -0.98 1.33 -2.30 -0.55 0.00 0.00 175.29 172.89 3dus n PRO 40 N 5.27 2.18 -1.65 1.67 -0.02 -1.26 -3.03 135.00 138.15 3dus n PRO 40 Ca -0.05 0.76 -0.55 0.00 -2.02 0.00 0.00 63.50 61.64 3dus n PRO 40 Cb 0.44 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3dus n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dus n PRO 41 N 0.83 1.30 -0.90 0.52 -0.04 -1.26 -0.59 135.00 134.87 3dus n PRO 41 Ca 0.06 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3dus n PRO 41 Cb 0.36 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3dus n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dus n GLY 42 N 4.72 0.46 1.98 0.55 0.00 -1.26 -5.04 105.19 106.59 3dus n GLY 42 Ca 0.29 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3dus n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dus n LYS 43 N -2.90 0.47 -2.14 1.61 5.02 0.25 -5.17 118.16 115.30 3dus n LYS 43 Ca 0.00 -2.04 -0.28 0.00 -2.02 0.00 0.00 58.31 53.97 3dus n LYS 43 Cb 0.00 1.40 0.15 0.00 -0.02 0.00 0.00 35.03 36.56 3dus n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dus s ALA 44 N -2.74 2.75 0.33 7.82 0.00 -1.26 -4.66 121.76 123.99 3dus s ALA 44 Ca 0.18 -1.31 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 3dus s ALA 44 Cb 0.01 -2.55 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 3dus s ALA 44 CO 0.13 -2.04 0.82 -0.51 0.00 0.00 0.00 175.76 174.17 3dus s LEU 45 N -5.61 4.12 -0.06 0.00 1.43 -1.26 -4.07 118.68 113.23 3dus s LEU 45 Ca 0.70 1.50 -0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3dus s LEU 45 Cb -0.05 -4.10 0.03 0.00 0.03 0.00 0.00 46.19 42.09 3dus s LEU 45 CO 0.50 -0.18 -0.01 -0.70 0.23 0.00 0.00 176.35 176.18 3dus s GLU 46 N -2.71 0.63 -0.28 1.70 2.12 0.23 -4.95 118.70 115.44 3dus s GLU 46 Ca 0.54 0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.65 3dus s GLU 46 Cb -0.12 -0.87 0.00 0.00 0.26 0.00 0.00 34.13 33.40 3dus s GLU 46 CO 0.18 -0.22 0.90 -0.46 -0.54 0.00 0.00 175.26 175.12 3dus s TRP 47 N 1.55 3.25 -0.04 5.30 -0.00 -1.26 0.08 118.94 127.81 3dus s TRP 47 Ca -0.01 1.10 0.07 0.00 -0.00 0.00 0.00 56.10 57.25 3dus s TRP 47 Cb -0.13 -3.28 -0.24 0.00 -0.00 0.00 0.00 33.47 29.82 3dus s TRP 47 CO -0.03 -0.55 0.68 -0.07 -0.00 0.00 0.00 176.95 176.98 3dus h LEU 48 N 9.51 0.12 0.00 5.86 3.38 -0.54 -3.41 115.31 130.23 3dus h LEU 48 Ca -0.22 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3dus h LEU 48 Cb 1.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dus h LEU 48 CO 0.93 1.20 0.00 0.61 0.09 0.00 0.00 178.44 181.27 3dus n GLY 49 N 1.63 2.10 3.42 0.83 0.00 -1.22 -1.16 105.19 110.80 3dus n GLY 49 Ca -0.18 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 3dus n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dus s PHE 50 N -1.95 1.73 -0.15 1.61 -0.12 -1.06 -0.37 117.98 117.66 3dus s PHE 50 Ca 0.00 -1.29 -0.00 0.00 -0.05 0.00 0.00 56.93 55.59 3dus s PHE 50 Cb 0.00 -1.03 0.04 0.00 -0.63 0.00 0.00 43.02 41.39 3dus s PHE 50 CO 0.00 -0.37 -0.07 -1.50 -0.05 0.00 0.00 175.22 173.23 3dus s ILE 51 N -3.40 1.16 1.41 -4.49 2.07 -0.23 -1.26 121.20 116.46 3dus s ILE 51 Ca 0.31 -0.57 -0.22 0.00 -1.41 0.00 0.00 60.65 58.76 3dus s ILE 51 Cb 0.04 -1.27 0.36 0.00 0.13 0.00 0.00 42.46 41.72 3dus s ILE 51 CO 0.16 0.22 0.86 0.54 -1.91 0.00 0.00 174.94 174.81 3dus n ARG 52 N 4.87 -4.33 -0.08 3.50 1.74 0.16 -2.17 116.66 120.34 3dus n ARG 52 Ca -0.13 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 3dus n ARG 52 Cb 0.48 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3dus n ARG 52 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3dus n ASN 52 N -5.39 0.00 -0.05 0.55 6.94 -1.26 -3.91 115.26 112.14 3dus n ASN 52 Ca 0.11 -0.09 -0.11 0.00 -0.02 0.00 0.00 54.58 54.47 3dus n ASN 52 Cb 0.58 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.95 3dus n ASN 52 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3dus h LYS 52 N 0.00 0.29 0.00 -3.83 3.64 -1.52 0.20 116.57 115.35 3dus h LYS 52 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3dus h LYS 52 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3dus h LYS 52 CO 0.00 0.45 -0.17 0.00 -2.27 0.00 0.00 179.45 177.47 3dus h ALA 52 N 0.83 1.39 0.00 5.00 0.00 -1.94 -2.88 119.26 121.65 3dus h ALA 52 Ca 0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 3dus h ALA 52 Cb 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3dus h ALA 52 CO 0.00 0.21 -1.54 1.63 0.00 0.00 0.00 179.25 179.55 3dus n LYS 53 N -3.85 0.63 0.00 0.00 4.76 -1.13 -4.98 118.16 113.59 3dus n LYS 53 Ca -0.02 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3dus n LYS 53 Cb 0.26 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3dus n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dus n GLY 54 N 1.44 1.49 2.59 0.72 0.00 -0.56 -4.58 105.19 106.29 3dus n GLY 54 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 3dus n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dus n TYR 55 N -0.87 -1.45 -1.40 1.61 4.01 0.58 -4.95 117.16 114.70 3dus n TYR 55 Ca 0.00 0.10 -0.31 0.00 -0.16 0.00 0.00 57.90 57.53 3dus n TYR 55 Cb 0.00 -3.06 0.08 0.00 -0.31 0.00 0.00 39.34 36.05 3dus n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3dus s THR 56 N -2.75 3.49 0.25 -0.72 -4.23 -1.26 -4.54 115.64 105.87 3dus s THR 56 Ca 0.07 0.48 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 3dus s THR 56 Cb -0.04 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 3dus s THR 56 CO 0.09 -0.63 -0.17 0.68 -0.54 0.00 0.00 174.62 174.05 3dus s VAL 57 N -2.99 2.68 0.05 2.29 -7.23 -1.26 0.38 120.40 114.32 3dus s VAL 57 Ca 0.60 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3dus s VAL 57 Cb -0.16 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3dus s VAL 57 CO 0.56 -0.30 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.38 3dus s GLU 58 N -3.26 0.57 0.02 4.82 0.41 -0.39 -4.98 118.70 115.88 3dus s GLU 58 Ca 0.27 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 3dus s GLU 58 Cb -0.06 -0.12 -0.02 0.00 -1.78 0.00 0.00 34.13 32.15 3dus s GLU 58 CO 0.15 -0.01 -0.03 0.71 -0.49 0.00 0.00 175.26 175.59 3dus s TYR 59 N -2.31 0.22 0.47 1.61 2.02 -1.26 -2.56 117.35 115.54 3dus s TYR 59 Ca -0.03 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.03 3dus s TYR 59 Cb -0.04 -0.16 -0.09 0.00 -0.40 0.00 0.00 41.96 41.27 3dus s TYR 59 CO -0.03 -0.16 1.01 -1.54 -1.57 0.00 0.00 175.55 173.27 3dus s SER 60 N -1.21 6.51 0.58 2.29 1.04 -0.31 -4.86 113.70 117.75 3dus s SER 60 Ca -0.13 1.84 0.28 0.00 0.48 0.00 0.00 55.95 58.41 3dus s SER 60 Cb -0.08 -2.55 1.64 0.00 0.10 0.00 0.00 66.02 65.13 3dus s SER 60 CO -0.01 -0.66 2.12 0.00 0.98 0.00 0.00 173.24 175.67 3dus h ALA 61 N 1.59 1.82 -0.05 5.32 0.00 -1.94 -0.56 119.26 125.45 3dus h ALA 61 Ca -0.49 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3dus h ALA 61 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3dus h ALA 61 CO 0.60 -0.25 -0.25 0.66 0.00 0.00 0.00 179.25 180.01 3dus h SER 62 N 0.00 0.08 0.00 0.00 4.64 -1.95 -3.26 113.55 113.07 3dus h SER 62 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3dus h SER 62 Cb 0.41 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dus h SER 62 CO -0.00 0.34 0.00 1.33 -0.87 0.00 0.00 176.83 177.62 3dus n VAL 63 N -4.21 0.00 -1.71 0.95 0.24 -0.77 -5.01 118.33 107.82 3dus n VAL 63 Ca -0.02 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 3dus n VAL 63 Cb 0.32 1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3dus n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dus s LYS 64 N -0.03 4.13 0.00 7.34 2.20 -0.29 -1.86 119.74 131.24 3dus s LYS 64 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3dus s LYS 64 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3dus s LYS 64 CO 0.00 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 3dus n GLY 65 N 4.25 2.98 0.09 5.54 0.00 -1.26 -4.80 105.19 111.98 3dus n GLY 65 Ca 0.18 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3dus n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dus h ARG 66 N 0.00 -0.08 -6.44 1.61 3.08 -1.80 -3.45 114.38 107.29 3dus h ARG 66 Ca 0.00 0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.52 3dus h ARG 66 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3dus h ARG 66 CO 0.00 0.49 -0.10 -0.06 -1.07 0.00 0.00 179.97 179.23 3dus s PHE 67 N -3.45 3.44 -0.08 3.04 0.40 -0.78 -2.69 117.98 117.87 3dus s PHE 67 Ca -0.15 0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 57.05 3dus s PHE 67 Cb 0.00 -2.29 0.03 0.00 0.51 0.00 0.00 43.02 41.27 3dus s PHE 67 CO 0.59 0.28 0.18 -0.08 0.70 0.00 0.00 175.22 176.89 3dus s THR 68 N -1.79 -0.03 -0.14 0.64 -1.32 0.60 -4.80 115.64 108.81 3dus s THR 68 Ca 0.47 0.11 -0.04 0.00 -1.21 0.00 0.00 61.69 61.01 3dus s THR 68 Cb -0.12 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 3dus s THR 68 CO 0.21 0.04 0.00 -0.63 -2.21 0.00 0.00 174.62 172.03 3dus s ILE 69 N 0.80 4.28 0.05 5.08 1.01 -1.26 -0.70 121.20 130.47 3dus s ILE 69 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3dus s ILE 69 Cb -0.07 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3dus s ILE 69 CO -0.04 0.53 -0.02 -0.94 0.00 0.00 0.00 174.94 174.46 3dus s SER 70 N -0.09 0.46 0.15 3.58 1.04 -1.14 -4.93 113.70 112.76 3dus s SER 70 Ca 0.04 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.56 3dus s SER 70 Cb -0.13 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3dus s SER 70 CO 0.02 -0.57 -0.06 0.00 0.98 0.00 0.00 173.24 173.60 3dus s ARG 71 N -3.68 1.05 -0.61 4.02 1.70 -1.26 -0.94 118.95 119.23 3dus s ARG 71 Ca 0.05 -1.47 0.04 0.00 -0.47 0.00 0.00 55.73 53.89 3dus s ARG 71 Cb 0.06 -0.46 0.16 0.00 -0.57 0.00 0.00 34.95 34.15 3dus s ARG 71 CO -0.09 -0.01 0.42 0.34 -1.08 0.00 0.00 175.30 174.89 3dus s ASP 72 N -3.16 4.00 0.30 -2.89 -1.08 -0.25 -4.99 116.67 108.60 3dus s ASP 72 Ca 0.18 -3.53 0.04 0.00 -0.52 0.00 0.00 52.55 48.72 3dus s ASP 72 Cb 0.04 -1.34 0.77 0.00 -1.46 0.00 0.00 42.92 40.93 3dus s ASP 72 CO 0.01 -0.13 1.64 0.78 0.52 0.00 0.00 175.17 177.99 3dus h ASN 73 N 5.64 0.00 0.26 -0.34 -0.26 -1.96 0.46 115.58 119.39 3dus h ASN 73 Ca 0.14 0.21 0.01 0.00 -0.56 0.00 0.00 56.30 56.09 3dus h ASN 73 Cb 0.81 0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 38.31 3dus h ASN 73 CO 0.63 -0.19 -0.44 0.77 -1.06 0.00 0.00 177.43 177.14 3dus h SER 74 N 0.19 -1.25 0.44 5.81 4.64 -1.97 -2.45 113.55 118.95 3dus h SER 74 Ca 0.58 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 3dus h SER 74 Cb 1.21 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 3dus h SER 74 CO -0.68 -0.54 -0.18 0.00 -0.87 0.00 0.00 176.83 174.56 3dus n GLN 75 N -5.49 0.53 -3.52 4.77 6.02 -0.73 -4.95 117.38 114.01 3dus n GLN 75 Ca -0.09 -0.21 -0.20 0.00 -0.01 0.00 0.00 57.00 56.48 3dus n GLN 75 Cb 0.40 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.22 3dus n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dus n SER 76 N -1.05 -3.52 -4.15 1.08 7.64 0.15 -4.81 113.62 108.96 3dus n SER 76 Ca 0.12 -0.78 -0.30 0.00 1.01 0.00 0.00 58.87 58.92 3dus n SER 76 Cb 0.30 -4.48 -0.17 0.00 -1.01 0.00 0.00 64.21 58.85 3dus n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dus s ILE 77 N -3.50 1.76 0.14 0.44 1.01 -1.12 -2.77 121.20 117.16 3dus s ILE 77 Ca 0.20 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3dus s ILE 77 Cb -0.04 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.81 3dus s ILE 77 CO 0.78 0.49 0.44 -0.22 0.00 0.00 0.00 174.94 176.44 3dus s LEU 78 N 0.52 4.28 0.05 2.97 2.96 -0.07 -1.09 118.68 128.31 3dus s LEU 78 Ca -0.16 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 3dus s LEU 78 Cb -0.17 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3dus s LEU 78 CO 0.06 0.08 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.74 3dus s TYR 79 N -1.57 1.02 -0.27 5.38 2.02 -0.12 -1.08 117.35 122.74 3dus s TYR 79 Ca 0.39 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3dus s TYR 79 Cb -0.13 -0.59 0.08 0.00 -0.40 0.00 0.00 41.96 40.92 3dus s TYR 79 CO 0.21 0.01 0.01 -1.17 -1.57 0.00 0.00 175.55 173.04 3dus s LEU 80 N -1.52 2.65 -0.42 -1.29 2.96 -0.39 -2.91 118.68 117.76 3dus s LEU 80 Ca -0.04 -1.41 -0.24 0.00 -0.22 0.00 0.00 54.13 52.23 3dus s LEU 80 Cb -0.09 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.53 3dus s LEU 80 CO 0.01 -0.32 0.81 -1.58 -1.32 0.00 0.00 176.35 173.96 3dus s GLN 81 N 1.44 3.57 0.03 1.98 2.00 0.13 -1.96 119.66 126.85 3dus s GLN 81 Ca 0.02 0.12 -0.01 0.00 -2.00 0.00 0.00 55.36 53.49 3dus s GLN 81 Cb -0.18 -3.88 -0.04 0.00 0.80 0.00 0.00 33.01 29.71 3dus s GLN 81 CO -0.12 -1.03 0.17 -1.64 -0.50 0.00 0.00 175.29 172.18 3dus s MET 82 N 3.30 3.34 -0.03 1.67 -1.94 -0.91 -0.29 119.30 124.43 3dus s MET 82 Ca 0.32 -0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 53.85 3dus s MET 82 Cb -0.12 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.73 3dus s MET 82 CO 0.21 0.63 0.07 -0.80 -0.01 0.00 0.00 175.02 175.12 3dus s ASN 82 N -2.23 -0.02 -0.50 3.03 0.01 -1.10 -3.40 114.94 110.74 3dus s ASN 82 Ca 0.31 0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 52.45 3dus s ASN 82 Cb -0.13 0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.60 3dus s ASN 82 CO 0.23 -0.10 0.62 0.41 -1.51 0.00 0.00 177.10 176.75 3dus n THR 82 N 3.81-10.76 -1.76 1.60 -1.04 -0.63 -4.65 114.28 100.86 3dus n THR 82 Ca -0.22 0.65 -0.38 0.00 -2.04 0.00 0.00 64.05 62.06 3dus n THR 82 Cb 0.54 -7.14 -0.04 0.00 -1.82 0.00 0.00 70.33 61.86 3dus n THR 82 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dus n LEU 82 N -0.61 4.23 -4.47 -4.42 7.99 -1.18 -4.52 117.00 114.02 3dus n LEU 82 Ca 0.09 -3.31 -0.32 0.00 -0.01 0.00 0.00 56.01 52.46 3dus n LEU 82 Cb 0.47 -1.50 0.15 0.00 -0.11 0.00 0.00 43.42 42.44 3dus n LEU 82 CO 0.49 -0.60 0.10 0.54 -1.51 0.00 0.00 177.39 176.42 3dus n ARG 83 N 7.54 -0.72 0.28 3.23 1.74 -1.26 -3.90 116.66 123.56 3dus n ARG 83 Ca 0.48 -0.17 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 3dus n ARG 83 Cb 0.43 -2.00 0.81 0.00 -1.02 0.00 0.00 32.46 30.69 3dus n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dus h ALA 84 N -1.83 1.57 -0.66 7.54 0.00 -1.96 0.01 119.26 123.93 3dus h ALA 84 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dus h ALA 84 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3dus h ALA 84 CO 0.38 0.04 0.00 -0.85 0.00 0.00 0.00 179.25 178.82 3dus n GLU 85 N -3.96 2.69 0.11 0.00 0.00 -1.26 -3.70 120.64 114.51 3dus n GLU 85 Ca -0.03 -2.44 0.02 0.00 0.00 0.00 0.00 57.16 54.72 3dus n GLU 85 Cb 0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 29.99 3dus n GLU 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3dus h ASP 86 N 3.89 0.00 -2.98 -1.84 3.45 -1.29 -3.47 116.42 114.17 3dus h ASP 86 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 3dus h ASP 86 Cb 0.96 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 39.83 3dus h ASP 86 CO 0.03 0.48 0.60 -1.20 -1.57 0.00 0.00 179.24 177.59 3dus n SER 87 N -3.09 2.88 0.00 6.45 7.64 -1.24 -4.94 113.62 121.31 3dus n SER 87 Ca -0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3dus n SER 87 Cb 0.75 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3dus n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dus n ALA 88 N 1.34 0.00 -2.71 -0.43 0.00 -0.95 -4.48 120.51 113.28 3dus n ALA 88 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 3dus n ALA 88 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 3dus n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dus s THR 89 N -2.00 4.93 -0.27 0.00 2.01 -1.17 -1.14 115.64 118.00 3dus s THR 89 Ca 0.00 1.82 -0.08 0.00 0.31 0.00 0.00 61.69 63.74 3dus s THR 89 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 3dus s THR 89 CO 0.00 0.18 0.10 -0.31 -0.69 0.00 0.00 174.62 173.90 3dus s TYR 90 N 1.03 3.12 -0.20 4.92 1.51 -0.07 -1.82 117.35 125.84 3dus s TYR 90 Ca 0.46 -0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 55.99 3dus s TYR 90 Cb -0.20 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3dus s TYR 90 CO 0.23 -0.39 0.04 0.71 -1.11 0.00 0.00 175.55 175.04 3dus s TYR 91 N 1.62 3.14 0.16 2.71 2.02 0.19 -2.02 117.35 125.16 3dus s TYR 91 Ca 0.06 -0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.45 3dus s TYR 91 Cb -0.16 -2.12 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 3dus s TYR 91 CO 0.05 -0.09 0.50 0.00 -1.57 0.00 0.00 175.55 174.44 3dus s ALA 93 N -1.59 0.57 -0.30 0.00 0.00 -0.37 -2.04 121.76 118.03 3dus s ALA 93 Ca 0.40 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 3dus s ALA 93 Cb -0.13 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3dus s ALA 93 CO 0.20 -0.53 0.36 0.50 0.00 0.00 0.00 175.76 176.29 3dus s ARG 94 N -4.01 3.85 0.36 0.00 3.52 0.53 -2.20 118.95 121.00 3dus s ARG 94 Ca 0.21 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 3dus s ARG 94 Cb 0.06 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 3dus s ARG 94 CO 0.00 -0.36 0.00 -3.47 -0.81 0.00 0.00 175.30 170.66 3dus n ASP 95 N 5.35 2.99 0.00 -2.12 -0.08 -0.96 -2.36 116.55 119.37 3dus n ASP 95 Ca -0.09 -2.57 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 3dus n ASP 95 Cb 0.50 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.21 3dus n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dus n GLY 96 N 0.73 -1.92 1.08 0.27 0.00 -1.26 -1.11 105.19 102.98 3dus n GLY 96 Ca -0.15 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.64 3dus n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dus n TYR 97 N 4.50 0.89 0.02 1.61 4.11 -1.26 -3.11 117.16 123.93 3dus n TYR 97 Ca 0.00 -0.57 -0.04 0.00 -0.00 0.00 0.00 57.90 57.29 3dus n TYR 97 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.34 39.21 3dus n TYR 97 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3dus h TYR 98 N 3.10 -0.16 -0.00 -3.48 0.05 -1.95 -3.38 116.97 111.14 3dus h TYR 98 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dus h TYR 98 Cb 1.05 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3dus h TYR 98 CO 0.46 0.00 -0.48 1.33 -1.05 0.00 0.00 178.16 178.42 3dus n VAL 99 N -4.88 0.00 -2.87 -2.88 0.24 -1.26 -4.99 118.33 101.69 3dus n VAL 99 Ca -0.03 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 3dus n VAL 99 Cb 0.12 1.08 0.03 0.00 -1.47 0.00 0.00 33.84 33.59 3dus n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dus n ASP 100 N -0.78 -6.09 -3.95 -1.34 8.00 -1.18 -4.97 116.55 106.24 3dus n ASP 100 Ca 0.04 -0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.22 3dus n ASP 100 Cb 0.25 -4.94 -0.06 0.00 -0.02 0.00 0.00 41.12 36.35 3dus n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dus s ALA 100 N -3.15 -0.21 -0.71 2.24 0.00 -1.26 -4.97 121.76 113.71 3dus s ALA 100 Ca 0.23 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 3dus s ALA 100 Cb -0.10 0.98 0.11 0.00 0.00 0.00 0.00 23.12 24.11 3dus s ALA 100 CO 0.29 -0.77 0.89 -1.64 0.00 0.00 0.00 175.76 174.54 3dus s MET 100 N -3.98 3.23 0.04 0.00 -1.94 -1.26 -4.17 119.30 111.22 3dus s MET 100 Ca 0.19 -1.33 0.26 0.00 -1.71 0.00 0.00 55.69 53.10 3dus s MET 100 Cb 0.01 -4.42 0.61 0.00 2.01 0.00 0.00 34.83 33.05 3dus s MET 100 CO 0.04 -1.67 1.50 -0.40 -0.01 0.00 0.00 175.02 174.48 3dus n ASP 101 N 6.70 0.47 -3.79 3.03 3.85 -1.00 -4.78 116.55 121.03 3dus n ASP 101 Ca 0.02 0.01 -0.16 0.00 -0.71 0.00 0.00 54.79 53.95 3dus n ASP 101 Cb 0.45 0.05 -0.16 0.00 -1.35 0.00 0.00 41.12 40.11 3dus n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3dus s TYR 102 N -3.04 0.12 0.29 2.11 2.02 -1.26 -5.00 117.35 112.58 3dus s TYR 102 Ca 0.10 0.09 0.11 0.00 -0.37 0.00 0.00 57.07 57.00 3dus s TYR 102 Cb 0.17 -0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 3dus s TYR 102 CO 0.67 -0.10 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.81 3dus s TRP 103 N 1.04 2.23 0.47 2.71 0.52 -1.26 -0.34 118.94 124.31 3dus s TRP 103 Ca -0.09 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.63 3dus s TRP 103 Cb -0.13 -1.07 0.09 0.00 -1.15 0.00 0.00 33.47 31.21 3dus s TRP 103 CO -0.03 0.62 0.65 0.41 0.02 0.00 0.00 176.95 178.63 3dus n GLY 104 N -0.63 1.06 0.05 0.98 0.00 -0.86 -4.63 105.19 101.15 3dus n GLY 104 Ca -0.05 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 44.03 3dus n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dus n GLN 105 N -2.15 0.18 0.00 1.61 0.00 -1.25 -4.89 117.38 110.87 3dus n GLN 105 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.19 3dus n GLN 105 Cb 0.41 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.01 3dus n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dus n GLY 106 N 1.39 -0.96 2.86 2.61 0.00 -1.26 -5.01 105.19 104.82 3dus n GLY 106 Ca 0.05 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 3dus n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dus s THR 107 N -2.93 0.47 0.10 2.61 -4.23 -0.86 -4.81 115.64 105.99 3dus s THR 107 Ca 0.00 -0.05 -0.28 0.00 -1.18 0.00 0.00 61.69 60.17 3dus s THR 107 Cb 0.00 -0.53 -0.06 0.00 1.34 0.00 0.00 72.50 73.25 3dus s THR 107 CO 0.00 0.22 0.90 -0.55 -0.54 0.00 0.00 174.62 174.65 3dus s SER 108 N 1.15 7.42 -0.16 3.99 0.15 -1.26 -0.89 113.70 124.09 3dus s SER 108 Ca -0.07 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.29 3dus s SER 108 Cb -0.14 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 3dus s SER 108 CO -0.01 -0.02 -0.20 -0.69 1.20 0.00 0.00 173.24 173.51 3dus s VAL 109 N -0.10 2.01 -0.13 4.45 1.01 -0.29 -1.90 120.40 125.44 3dus s VAL 109 Ca 0.44 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3dus s VAL 109 Cb -0.23 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3dus s VAL 109 CO 0.28 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.86 3dus s THR 110 N 1.10 1.67 -0.42 3.92 2.01 -1.20 -2.24 115.64 120.48 3dus s THR 110 Ca -0.00 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 3dus s THR 110 Cb -0.14 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 70.87 3dus s THR 110 CO -0.08 0.47 0.35 -0.69 -0.69 0.00 0.00 174.62 173.98 3dus s VAL 111 N 1.17 5.22 -0.04 3.82 1.01 -1.26 -1.56 120.40 128.75 3dus s VAL 111 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3dus s VAL 111 Cb -0.14 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3dus s VAL 111 CO -0.06 -0.39 -0.12 -0.44 0.00 0.00 0.00 175.10 174.09 3dus s SER 112 N 1.88 1.67 0.00 3.32 0.01 -0.23 -4.95 113.70 115.40 3dus s SER 112 Ca 0.06 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3dus s SER 112 Cb -0.20 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.46 3dus s SER 112 CO 0.10 0.08 0.39 -1.20 0.41 0.00 0.00 173.24 173.02