#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eav n PRO 4 N 0.00 2.25 -0.05 1.61 -0.02 -1.26 -4.97 135.00 132.55 1eav n PRO 4 Ca 0.00 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1eav n PRO 4 Cb 0.00 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 30.73 1eav n PRO 4 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1eav h GLU 5 N 7.60 -0.01 -4.84 -0.52 4.81 -1.90 -3.43 114.58 116.29 1eav h GLU 5 Ca -0.47 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.09 1eav h GLU 5 Cb 1.26 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 1eav h GLU 5 CO 0.92 0.80 -0.33 0.71 -0.73 0.00 0.00 179.01 180.38 1eav s TYR 6 N -2.73 3.21 -0.27 0.92 4.12 -1.13 -5.01 117.35 116.45 1eav s TYR 6 Ca -0.17 -0.17 -0.26 0.00 0.02 0.00 0.00 57.07 56.48 1eav s TYR 6 Cb -0.02 -2.65 0.01 0.00 -1.52 0.00 0.00 41.96 37.77 1eav s TYR 6 CO 0.65 -0.47 0.93 0.15 0.02 0.00 0.00 175.55 176.82 1eav s LYS 7 N 1.94 4.13 0.05 -0.62 1.02 -1.26 -0.74 119.74 124.26 1eav s LYS 7 Ca 0.10 1.00 0.05 0.00 0.02 0.00 0.00 55.97 57.14 1eav s LYS 7 Cb -0.17 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1eav s LYS 7 CO 0.12 -0.67 -0.06 0.08 -0.92 0.00 0.00 175.35 173.90 1eav s VAL 8 N 3.14 3.65 -0.01 3.17 1.01 0.74 -0.46 120.40 131.64 1eav s VAL 8 Ca 0.39 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1eav s VAL 8 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1eav s VAL 8 CO 0.10 0.25 0.03 0.00 0.00 0.00 0.00 175.10 175.47 1eav s ALA 9 N -1.13 -0.05 -0.14 5.51 0.00 -0.26 -1.30 121.76 124.38 1eav s ALA 9 Ca 0.20 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1eav s ALA 9 Cb -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1eav s ALA 9 CO 0.12 -0.02 -0.21 0.42 0.00 0.00 0.00 175.76 176.06 1eav s ILE 10 N 0.11 2.02 -0.23 0.00 1.01 -0.69 -1.41 121.20 122.00 1eav s ILE 10 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1eav s ILE 10 Cb -0.01 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1eav s ILE 10 CO -0.00 0.54 0.01 -0.22 0.00 0.00 0.00 174.94 175.27 1eav s LEU 11 N 0.86 3.17 -0.15 2.97 2.96 -0.09 -2.27 118.68 126.12 1eav s LEU 11 Ca -0.06 -0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 1eav s LEU 11 Cb -0.15 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1eav s LEU 11 CO -0.03 -0.02 0.22 -0.89 -1.32 0.00 0.00 176.35 174.32 1eav s THR 12 N 1.48 5.35 -0.20 3.68 2.01 -0.47 -0.98 115.64 126.51 1eav s THR 12 Ca 0.06 0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 1eav s THR 12 Cb -0.15 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1eav s THR 12 CO 0.00 0.46 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.60 1eav s VAL 13 N 0.03 2.80 -0.30 3.82 1.01 0.86 -1.82 120.40 126.80 1eav s VAL 13 Ca 0.14 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1eav s VAL 13 Cb -0.12 -2.24 0.19 0.00 0.00 0.00 0.00 36.38 34.20 1eav s VAL 13 CO 0.03 0.47 1.26 -0.55 0.00 0.00 0.00 175.10 176.31 1eav s SER 14 N 1.40 -0.11 0.18 3.32 0.15 -0.22 -4.31 113.70 114.12 1eav s SER 14 Ca 0.05 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.69 1eav s SER 14 Cb -0.14 1.11 0.16 0.00 -1.71 0.00 0.00 66.02 65.44 1eav s SER 14 CO -0.07 -0.02 1.71 0.44 1.20 0.00 0.00 173.24 176.50 1eav h ASP 15 N 7.32 -0.03 0.03 5.45 3.32 -1.86 -0.77 116.42 129.87 1eav h ASP 15 Ca -0.13 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1eav h ASP 15 Cb 1.14 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.76 1eav h ASP 15 CO -0.01 0.02 -0.44 0.74 -1.72 0.00 0.00 179.24 177.82 1eav h THR 16 N 0.20 0.12 -0.42 0.35 2.02 -1.96 -0.62 112.91 112.61 1eav h THR 16 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1eav h THR 16 Cb 0.30 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1eav h THR 16 CO -0.31 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.10 1eav h VAL 17 N -0.62 1.24 0.00 3.16 2.07 -1.75 -0.87 116.25 119.49 1eav h VAL 17 Ca 0.04 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 1eav h VAL 17 Cb 0.68 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1eav h VAL 17 CO -0.31 0.36 -0.43 -1.28 0.02 0.00 0.00 177.57 175.94 1eav h SER 18 N 0.67 0.00 0.47 0.57 0.87 -0.54 -2.03 113.55 113.54 1eav h SER 18 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1eav h SER 18 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1eav h SER 18 CO 0.03 0.43 -0.11 0.00 -0.53 0.00 0.00 176.83 176.64 1eav n ALA 19 N -2.30 2.74 -1.00 6.23 0.00 -0.29 -4.92 120.51 120.97 1eav n ALA 19 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1eav n ALA 19 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1eav n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eav n GLY 20 N 1.32 0.54 0.17 0.00 0.00 -0.77 -4.90 105.19 101.56 1eav n GLY 20 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1eav n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eav n ALA 21 N 1.00 2.61 -3.59 4.61 0.00 -0.36 -4.90 120.51 119.89 1eav n ALA 21 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1eav n ALA 21 Cb 0.01 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.16 1eav n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1eav s GLY 22 N -1.75 -0.46 0.59 0.00 0.00 -1.23 -4.95 107.32 99.50 1eav s GLY 22 Ca 0.36 0.83 0.09 0.00 0.00 0.00 0.00 44.72 46.00 1eav s GLY 22 CO 0.28 0.17 0.76 -1.55 0.00 0.00 0.00 173.10 172.76 1eav n PRO 23 N -0.50 0.61 -3.74 2.90 -0.04 -1.26 -4.44 135.00 128.54 1eav n PRO 23 Ca -0.09 -3.22 -0.38 0.00 -0.04 0.00 0.00 63.50 59.76 1eav n PRO 23 Cb 0.63 -0.15 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 1eav n PRO 23 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1eav s ASP 24 N -4.60 5.31 0.00 3.54 3.68 -1.26 -4.85 116.67 118.49 1eav s ASP 24 Ca 0.57 -1.02 0.22 0.00 2.13 0.00 0.00 52.55 54.45 1eav s ASP 24 Cb -0.05 -1.89 -0.16 0.00 -1.45 0.00 0.00 42.92 39.38 1eav s ASP 24 CO 0.36 -0.30 0.86 0.54 0.13 0.00 0.00 175.17 176.76 1eav n ARG 25 N 4.84 0.22 -0.09 4.34 1.74 -1.26 -4.49 116.66 121.96 1eav n ARG 25 Ca -0.13 -0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.71 1eav n ARG 25 Cb 0.46 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 1eav n ARG 25 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1eav n SER 26 N -1.78 2.02 -0.35 0.55 3.41 -1.26 -3.87 113.62 112.34 1eav n SER 26 Ca 0.02 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 1eav n SER 26 Cb 0.41 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1eav n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1eav n GLY 27 N 2.12 -2.15 0.20 5.00 0.00 -1.26 -1.61 105.19 107.48 1eav n GLY 27 Ca -0.42 0.99 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 1eav n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1eav h PRO 28 N 0.00 0.22 -0.88 1.61 0.13 -1.79 0.02 132.00 131.31 1eav h PRO 28 Ca 0.14 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1eav h PRO 28 Cb 0.35 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1eav h PRO 28 CO -0.79 0.59 0.55 0.00 -0.23 0.00 0.00 178.00 178.12 1eav h ARG 29 N 0.19 1.18 -0.07 0.86 2.47 -1.49 -1.21 114.38 116.31 1eav h ARG 29 Ca 0.02 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1eav h ARG 29 Cb 0.78 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1eav h ARG 29 CO 0.06 0.81 -0.01 0.00 0.56 0.00 0.00 179.97 181.39 1eav h ALA 30 N 1.30 0.10 -0.82 0.04 0.00 -0.17 0.41 119.26 120.12 1eav h ALA 30 Ca 0.32 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1eav h ALA 30 Cb -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1eav h ALA 30 CO -0.06 -0.20 0.47 0.28 0.00 0.00 0.00 179.25 179.73 1eav h VAL 31 N -0.18 0.89 -0.32 0.00 2.07 -0.89 -0.35 116.25 117.46 1eav h VAL 31 Ca 0.02 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 1eav h VAL 31 Cb 0.38 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1eav h VAL 31 CO 0.01 0.14 -0.42 -1.28 0.02 0.00 0.00 177.57 176.04 1eav h SER 32 N 0.77 0.87 -0.88 0.57 0.87 -0.68 -1.45 113.55 113.62 1eav h SER 32 Ca 0.40 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1eav h SER 32 Cb 0.39 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1eav h SER 32 CO -0.26 1.17 0.58 0.58 -0.53 0.00 0.00 176.83 178.37 1eav h VAL 33 N 0.66 1.20 -0.13 2.23 2.07 -0.29 0.57 116.25 122.55 1eav h VAL 33 Ca 0.05 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1eav h VAL 33 Cb 0.99 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1eav h VAL 33 CO 0.09 0.21 0.08 0.58 0.02 0.00 0.00 177.57 178.55 1eav h VAL 34 N 1.17 1.08 0.78 2.57 2.07 -0.89 -0.97 116.25 122.06 1eav h VAL 34 Ca 0.33 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1eav h VAL 34 Cb -0.09 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1eav h VAL 34 CO -0.09 0.07 -0.45 0.44 0.02 0.00 0.00 177.57 177.57 1eav h ASP 35 N 0.13 -1.11 0.00 0.57 3.45 -0.85 0.25 116.42 118.86 1eav h ASP 35 Ca 0.05 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1eav h ASP 35 Cb 0.05 0.32 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1eav h ASP 35 CO -0.01 -0.71 0.09 -0.24 -1.57 0.00 0.00 179.24 176.80 1eav n SER 36 N -5.60 0.00 -0.41 6.45 2.88 0.19 -1.34 113.62 115.80 1eav n SER 36 Ca -0.15 0.31 0.05 0.00 -1.33 0.00 0.00 58.87 57.75 1eav n SER 36 Cb 0.47 -0.31 0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1eav n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1eav n SER 37 N -1.28 1.85 -0.30 -3.46 7.64 0.01 -4.74 113.62 113.34 1eav n SER 37 Ca 0.00 -1.42 0.11 0.00 1.01 0.00 0.00 58.87 58.57 1eav n SER 37 Cb 0.09 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.55 1eav n SER 37 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1eav h SER 38 N 2.01 -0.19 0.48 6.43 0.87 -0.46 0.12 113.55 122.81 1eav h SER 38 Ca 0.00 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1eav h SER 38 Cb 0.43 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1eav h SER 38 CO 0.00 -0.21 -0.26 -0.08 -0.53 0.00 0.00 176.83 175.76 1eav h GLU 39 N 0.13 -0.66 0.00 2.24 4.81 -1.85 3.19 114.58 122.45 1eav h GLU 39 Ca 0.53 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1eav h GLU 39 Cb 1.04 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1eav h GLU 39 CO -0.71 -0.44 0.01 0.87 -0.73 0.00 0.00 179.01 178.01 1eav h LYS 40 N -0.68 0.00 -0.00 1.92 1.57 -1.80 0.39 116.57 117.96 1eav h LYS 40 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1eav h LYS 40 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1eav h LYS 40 CO 0.09 0.00 -0.26 1.28 -0.57 0.00 0.00 179.45 179.99 1eav n LEU 41 N -2.84 0.76 0.00 2.94 4.77 0.39 -4.67 117.00 118.35 1eav n LEU 41 Ca -0.03 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1eav n LEU 41 Cb 0.07 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1eav n LEU 41 CO 0.17 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1eav n GLY 42 N 1.36 1.37 1.65 -0.72 0.00 0.14 -4.57 105.19 104.41 1eav n GLY 42 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1eav n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eav n GLY 43 N -1.40 -3.60 3.19 -0.02 0.00 1.05 -4.77 105.19 99.64 1eav n GLY 43 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1eav n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eav s ALA 44 N -0.17 -0.41 -0.06 4.61 0.00 -1.20 -2.82 121.76 121.70 1eav s ALA 44 Ca -0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 1eav s ALA 44 Cb 0.00 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1eav s ALA 44 CO 0.14 -0.36 0.26 0.21 0.00 0.00 0.00 175.76 176.01 1eav s LYS 45 N -2.47 0.45 -0.16 0.00 2.20 0.08 -4.60 119.74 115.24 1eav s LYS 45 Ca -0.06 0.07 -0.25 0.00 -0.36 0.00 0.00 55.97 55.37 1eav s LYS 45 Cb -0.01 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1eav s LYS 45 CO -0.03 -0.09 0.80 0.08 -0.36 0.00 0.00 175.35 175.75 1eav s VAL 46 N -0.57 4.91 0.00 4.02 1.01 -1.26 -0.18 120.40 128.32 1eav s VAL 46 Ca -0.07 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1eav s VAL 46 Cb -0.04 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1eav s VAL 46 CO 0.02 0.05 0.55 1.33 0.00 0.00 0.00 175.10 177.06 1eav n VAL 47 N 4.65 0.22 -3.63 2.92 0.24 -0.42 -4.92 118.33 117.38 1eav n VAL 47 Ca 0.03 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1eav n VAL 47 Cb 0.49 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1eav n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1eav s ALA 48 N -0.22 -1.86 0.11 2.33 0.00 -1.24 -5.06 121.76 115.82 1eav s ALA 48 Ca 0.00 1.94 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1eav s ALA 48 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1eav s ALA 48 CO 0.00 -0.30 -0.04 0.95 0.00 0.00 0.00 175.76 176.37 1eav s THR 49 N 0.24 0.62 0.25 0.00 -4.23 -1.26 -1.71 115.64 109.56 1eav s THR 49 Ca 0.01 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 1eav s THR 49 Cb -0.05 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1eav s THR 49 CO -0.02 -0.78 0.54 0.00 -0.54 0.00 0.00 174.62 173.82 1eav s ALA 50 N -3.67 -0.53 0.01 3.99 0.00 -0.96 -4.96 121.76 115.64 1eav s ALA 50 Ca 0.15 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1eav s ALA 50 Cb 0.06 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 1eav s ALA 50 CO -0.03 -0.89 -0.19 0.08 0.00 0.00 0.00 175.76 174.73 1eav s VAL 51 N -3.98 1.51 0.06 0.00 1.01 -1.26 -1.37 120.40 116.36 1eav s VAL 51 Ca 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1eav s VAL 51 Cb -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1eav s VAL 51 CO 0.08 0.30 0.02 0.68 0.00 0.00 0.00 175.10 176.18 1eav s VAL 52 N -0.61 0.20 0.87 2.92 -7.23 -0.76 -4.95 120.40 110.84 1eav s VAL 52 Ca 0.07 -1.64 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1eav s VAL 52 Cb -0.08 -1.44 0.14 0.00 0.56 0.00 0.00 36.38 35.57 1eav s VAL 52 CO 0.00 -0.90 1.22 -2.16 -0.31 0.00 0.00 175.10 172.95 1eav s PRO 53 N -3.81 1.28 -1.22 4.82 0.04 -1.26 -1.05 135.00 133.79 1eav s PRO 53 Ca 0.06 -0.30 -0.19 0.00 0.04 0.00 0.00 61.00 60.61 1eav s PRO 53 Cb 0.07 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1eav s PRO 53 CO -0.10 -1.97 1.65 -0.51 0.04 0.00 0.00 177.00 176.11 1eav s ASP 54 N -4.75 6.76 -0.18 6.66 1.01 -1.26 -4.47 116.67 120.44 1eav s ASP 54 Ca 0.68 -2.20 -0.09 0.00 0.71 0.00 0.00 52.55 51.66 1eav s ASP 54 Cb -0.07 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1eav s ASP 54 CO 0.50 -1.24 0.41 -1.61 0.21 0.00 0.00 175.17 173.44 1eav s GLU 55 N 4.33 0.37 0.16 8.23 2.02 -1.26 -4.94 118.70 127.61 1eav s GLU 55 Ca 0.51 0.86 -0.15 0.00 0.02 0.00 0.00 54.97 56.21 1eav s GLU 55 Cb 0.03 0.07 0.08 0.00 0.10 0.00 0.00 34.13 34.41 1eav s GLU 55 CO 0.03 -0.18 1.77 -0.39 0.02 0.00 0.00 175.26 176.50 1eav h VAL 56 N 5.72 0.93 -0.86 2.63 -1.51 -1.89 -0.18 116.25 121.08 1eav h VAL 56 Ca -0.31 -0.13 0.07 0.00 -1.23 0.00 0.00 66.70 65.10 1eav h VAL 56 Cb 1.16 0.53 -0.06 0.00 -2.13 0.00 0.00 31.29 30.80 1eav h VAL 56 CO 0.25 0.07 0.56 -0.33 -1.23 0.00 0.00 177.57 176.89 1eav h GLU 57 N 0.37 0.93 0.00 5.19 4.39 -1.97 0.36 114.58 123.86 1eav h GLU 57 Ca 0.18 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1eav h GLU 57 Cb 0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1eav h GLU 57 CO -0.15 0.62 -0.38 0.00 -1.16 0.00 0.00 179.01 177.93 1eav h ARG 58 N 0.96 0.00 0.10 2.33 2.47 -1.40 -1.62 114.38 117.22 1eav h ARG 58 Ca 0.37 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.94 1eav h ARG 58 Cb 0.22 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1eav h ARG 58 CO -0.14 0.38 -0.73 0.82 0.56 0.00 0.00 179.97 180.87 1eav h ILE 59 N 0.00 1.48 -0.08 2.04 2.04 -0.14 -3.20 117.51 119.65 1eav h ILE 59 Ca -0.00 -2.45 0.04 0.00 1.00 0.00 0.00 64.86 63.44 1eav h ILE 59 Cb 0.72 3.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.87 1eav h ILE 59 CO 0.05 0.67 -0.39 0.11 0.00 0.00 0.00 178.15 178.58 1eav h LYS 60 N -0.55 -0.48 -0.67 2.37 1.57 -0.19 -1.79 116.57 116.83 1eav h LYS 60 Ca -0.14 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1eav h LYS 60 Cb 1.48 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.79 1eav h LYS 60 CO 0.08 -0.32 0.05 -0.44 -0.57 0.00 0.00 179.45 178.25 1eav h ASP 61 N -0.50 -0.21 -0.32 0.86 3.32 -1.38 0.18 116.42 118.37 1eav h ASP 61 Ca 0.07 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1eav h ASP 61 Cb 0.62 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1eav h ASP 61 CO -0.36 -0.11 0.07 0.40 -1.72 0.00 0.00 179.24 177.53 1eav h ILE 62 N 0.15 1.22 -0.81 0.35 1.08 -1.41 -0.11 117.51 117.98 1eav h ILE 62 Ca 0.36 -0.75 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 1eav h ILE 62 Cb 0.60 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.41 1eav h ILE 62 CO -0.55 0.25 0.53 -0.07 -0.69 0.00 0.00 178.15 177.63 1eav h LEU 63 N 0.35 0.77 0.26 1.44 3.38 -0.19 0.14 115.31 121.46 1eav h LEU 63 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1eav h LEU 63 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1eav h LEU 63 CO 0.00 0.49 -0.12 1.56 0.09 0.00 0.00 178.44 180.46 1eav h GLN 64 N 0.87 -0.33 -0.70 1.13 4.20 -0.03 -1.88 115.11 118.37 1eav h GLN 64 Ca 0.36 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.12 1eav h GLN 64 Cb 0.26 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1eav h GLN 64 CO -0.13 0.00 0.44 -0.22 -0.67 0.00 0.00 178.83 178.25 1eav h LYS 65 N -0.72 0.83 0.00 1.46 3.64 -0.33 0.74 116.57 122.19 1eav h LYS 65 Ca -0.04 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1eav h LYS 65 Cb 0.49 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1eav h LYS 65 CO 0.06 0.55 -0.30 -1.49 -2.27 0.00 0.00 179.45 175.99 1eav h TRP 66 N 0.85 0.00 0.00 1.91 6.55 -0.67 -1.00 115.95 123.59 1eav h TRP 66 Ca 0.28 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 60.01 1eav h TRP 66 Cb 0.02 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.30 1eav h TRP 66 CO -0.04 0.30 -0.69 0.77 -1.05 0.00 0.00 178.44 177.73 1eav h SER 67 N 0.00 0.00 0.38 -3.49 0.02 -0.43 -2.47 113.55 107.56 1eav h SER 67 Ca -0.00 -0.44 -0.25 0.00 -0.84 0.00 0.00 61.79 60.25 1eav h SER 67 Cb 1.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.57 1eav h SER 67 CO 0.04 1.12 -1.09 0.44 -1.14 0.00 0.00 176.83 176.20 1eav h ASP 68 N -1.00 0.57 0.00 3.07 3.32 0.45 -3.27 116.42 119.55 1eav h ASP 68 Ca -0.16 -0.51 -0.38 0.00 0.02 0.00 0.00 57.03 56.00 1eav h ASP 68 Cb 0.92 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 1eav h ASP 68 CO -0.10 1.34 -2.30 0.52 -1.72 0.00 0.00 179.24 176.98 1eav n VAL 69 N -3.69 1.28 0.82 -1.35 0.31 -0.43 -4.57 118.33 110.70 1eav n VAL 69 Ca -0.09 -0.35 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1eav n VAL 69 Cb 0.92 -1.74 0.37 0.00 -0.91 0.00 0.00 33.84 32.49 1eav n VAL 69 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1eav n ASP 70 N -3.91 0.46 -1.60 4.52 8.00 -0.87 -5.04 116.55 118.11 1eav n ASP 70 Ca -0.45 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1eav n ASP 70 Cb 0.84 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1eav n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1eav n GLU 71 N -1.80 -3.58 0.00 -1.24 1.02 -0.93 -5.00 120.64 109.12 1eav n GLU 71 Ca 0.05 2.64 0.00 0.00 -0.02 0.00 0.00 57.16 59.84 1eav n GLU 71 Cb 0.38 -3.11 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 1eav n GLU 71 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1eav n ASP 73 N -0.51 2.61 -3.65 1.62 8.00 0.39 -4.96 116.55 120.06 1eav n ASP 73 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1eav n ASP 73 Cb 0.00 0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 1eav n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1eav s LEU 74 N -2.10 -0.40 -0.15 0.64 2.96 -0.99 -1.79 118.68 116.85 1eav s LEU 74 Ca 0.00 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1eav s LEU 74 Cb 0.00 0.88 0.02 0.00 0.50 0.00 0.00 46.19 47.58 1eav s LEU 74 CO 0.00 -0.24 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.97 1eav s ILE 75 N 2.47 1.89 -0.13 6.68 1.01 -0.17 -1.10 121.20 131.85 1eav s ILE 75 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1eav s ILE 75 Cb -0.12 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1eav s ILE 75 CO -0.10 0.51 -0.00 -0.76 0.00 0.00 0.00 174.94 174.59 1eav s LEU 76 N 1.15 3.49 0.21 2.97 1.43 -0.50 -1.54 118.68 125.88 1eav s LEU 76 Ca -0.00 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1eav s LEU 76 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1eav s LEU 76 CO -0.08 0.25 0.12 0.42 0.23 0.00 0.00 176.35 177.30 1eav s THR 77 N -0.13 4.23 -0.06 5.49 -4.23 -0.68 -0.91 115.64 119.34 1eav s THR 77 Ca 0.04 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1eav s THR 77 Cb -0.13 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1eav s THR 77 CO 0.02 -0.23 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.07 1eav s LEU 78 N -3.42 1.09 0.00 4.79 1.43 -0.15 -4.55 118.68 117.87 1eav s LEU 78 Ca 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1eav s LEU 78 Cb -0.09 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1eav s LEU 78 CO 0.23 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1eav n GLY 79 N 4.52 -1.46 2.00 -3.19 0.00 -1.26 -0.10 105.19 105.71 1eav n GLY 79 Ca -0.17 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1eav n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eav n GLY 80 N -1.65 0.41 0.66 -0.02 0.00 -1.26 -4.63 105.19 98.70 1eav n GLY 80 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.18 1eav n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1eav n THR 81 N -3.00 0.34 -0.78 2.61 -2.24 -1.26 0.85 114.28 110.79 1eav n THR 81 Ca -0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1eav n THR 81 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1eav n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1eav n GLY 82 N 0.81 1.20 0.01 3.38 0.00 -1.26 -0.72 105.19 108.61 1eav n GLY 82 Ca 0.11 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1eav n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1eav n PHE 83 N 0.00 0.03 -1.62 1.61 3.01 -1.26 -4.76 117.46 114.47 1eav n PHE 83 Ca 0.00 0.01 -0.39 0.00 1.01 0.00 0.00 57.45 58.08 1eav n PHE 83 Cb 0.00 -0.16 0.04 0.00 -0.01 0.00 0.00 39.48 39.35 1eav n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1eav n THR 84 N -1.69 3.33 0.20 4.37 -1.04 -1.26 -4.87 114.28 113.32 1eav n THR 84 Ca 0.02 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1eav n THR 84 Cb 0.39 -1.17 0.46 0.00 -1.82 0.00 0.00 70.33 68.19 1eav n THR 84 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1eav h PRO 85 N 0.79 0.05 0.00 -2.82 0.11 -2.03 -2.53 132.00 125.57 1eav h PRO 85 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1eav h PRO 85 Cb 1.35 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1eav h PRO 85 CO 0.52 0.25 -0.12 0.00 -0.21 0.00 0.00 178.00 178.44 1eav h ARG 86 N 0.05 0.00 -6.24 1.05 2.47 -1.96 -3.43 114.38 106.31 1eav h ARG 86 Ca 0.01 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.16 1eav h ARG 86 Cb 0.38 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1eav h ARG 86 CO 0.03 0.12 1.22 -0.51 0.56 0.00 0.00 179.97 181.39 1eav s ASP 87 N -6.02 6.17 0.00 7.04 1.01 -0.95 -4.74 116.67 119.17 1eav s ASP 87 Ca 0.02 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1eav s ASP 87 Cb 0.09 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1eav s ASP 87 CO 0.61 -1.42 0.96 1.33 0.21 0.00 0.00 175.17 176.86 1eav n VAL 88 N 6.68 0.00 -0.27 -1.27 0.24 -0.55 -4.84 118.33 118.32 1eav n VAL 88 Ca 0.21 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.46 1eav n VAL 88 Cb 0.45 0.48 0.08 0.00 -1.47 0.00 0.00 33.84 33.38 1eav n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1eav h THR 89 N 6.76 1.26 -0.30 3.34 2.02 0.19 -0.63 112.91 125.55 1eav h THR 89 Ca 0.00 -0.84 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 1eav h THR 89 Cb 1.36 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1eav h THR 89 CO 0.00 0.34 -0.44 -0.65 0.37 0.00 0.00 175.52 175.14 1eav h PRO 90 N 1.12 0.76 -0.71 6.66 0.11 -1.84 0.34 132.00 138.44 1eav h PRO 90 Ca 0.25 -0.42 0.03 0.00 0.11 0.00 0.00 66.00 65.97 1eav h PRO 90 Cb 0.24 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1eav h PRO 90 CO -0.02 1.05 0.47 0.93 -0.21 0.00 0.00 178.00 180.22 1eav h GLU 91 N 0.61 0.86 -0.10 1.05 3.07 -1.78 -0.65 114.58 117.64 1eav h GLU 91 Ca 0.04 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.66 1eav h GLU 91 Cb 1.00 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.73 1eav h GLU 91 CO 0.10 0.57 -0.69 0.00 -1.40 0.00 0.00 179.01 177.58 1eav h ALA 92 N 1.58 0.22 -0.48 3.43 0.00 0.65 -3.11 119.26 121.54 1eav h ALA 92 Ca 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1eav h ALA 92 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1eav h ALA 92 CO -0.07 0.53 0.28 1.15 0.00 0.00 0.00 179.25 181.14 1eav h THR 93 N 0.29 1.05 -0.78 0.00 2.02 0.44 -2.33 112.91 113.61 1eav h THR 93 Ca -0.06 -0.20 0.20 0.00 0.77 0.00 0.00 66.41 67.12 1eav h THR 93 Cb 1.34 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1eav h THR 93 CO 0.14 0.10 0.54 0.11 0.37 0.00 0.00 175.52 176.79 1eav h LYS 94 N 0.57 0.18 0.00 6.66 1.57 -1.09 0.12 116.57 124.58 1eav h LYS 94 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1eav h LYS 94 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1eav h LYS 94 CO -0.09 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 1eav n LYS 95 N -4.40 0.14 0.00 3.15 5.02 -0.88 -3.95 118.16 117.25 1eav n LYS 95 Ca 0.16 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1eav n LYS 95 Cb 0.72 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1eav n LYS 95 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1eav n VAL 96 N -1.39 0.00 -1.61 -0.18 0.24 0.38 -5.03 118.33 110.74 1eav n VAL 96 Ca 0.07 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.81 1eav n VAL 96 Cb 0.19 0.78 0.07 0.00 -1.47 0.00 0.00 33.84 33.41 1eav n VAL 96 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1eav s ILE 97 N -1.07 3.43 -0.03 1.34 -4.36 -0.98 -4.76 121.20 114.77 1eav s ILE 97 Ca 0.00 0.46 0.04 0.00 -0.26 0.00 0.00 60.65 60.89 1eav s ILE 97 Cb 0.00 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 40.41 1eav s ILE 97 CO 0.00 -0.60 0.03 -0.62 0.24 0.00 0.00 174.94 173.99 1eav n GLU 98 N -3.28 2.66 -3.85 0.37 1.02 0.33 -4.95 120.64 112.94 1eav n GLU 98 Ca 0.07 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1eav n GLU 98 Cb 0.56 -1.10 -0.17 0.00 -0.02 0.00 0.00 31.44 30.71 1eav n GLU 98 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1eav s ARG 99 N -2.14 0.27 0.55 3.49 0.52 -0.70 -4.96 118.95 115.99 1eav s ARG 99 Ca -0.02 0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1eav s ARG 99 Cb 0.02 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.92 1eav s ARG 99 CO 0.17 -0.19 0.88 -1.21 0.02 0.00 0.00 175.30 174.96 1eav s GLU 100 N 1.36 3.28 -0.44 3.54 2.02 -1.26 0.43 118.70 127.62 1eav s GLU 100 Ca -0.05 0.21 0.07 0.00 0.02 0.00 0.00 54.97 55.22 1eav s GLU 100 Cb -0.13 -2.28 0.24 0.00 0.10 0.00 0.00 34.13 32.06 1eav s GLU 100 CO -0.03 -0.49 0.54 0.25 0.02 0.00 0.00 175.26 175.56 1eav n THR 101 N -2.49 -0.19 0.31 3.63 -2.24 -1.21 -4.79 114.28 107.31 1eav n THR 101 Ca 0.03 -4.18 0.20 0.00 -2.27 0.00 0.00 64.05 57.83 1eav n THR 101 Cb 0.56 -1.96 1.03 0.00 -2.10 0.00 0.00 70.33 67.86 1eav n THR 101 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1eav h PRO 102 N 4.18 0.00 -0.28 -0.78 0.13 -1.96 -1.28 132.00 132.01 1eav h PRO 102 Ca 0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.15 1eav h PRO 102 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1eav h PRO 102 CO 0.52 0.00 -0.20 0.78 -0.23 0.00 0.00 178.00 178.87 1eav h GLY 103 N 0.47 0.56 0.94 1.56 0.00 -1.98 0.38 103.07 105.00 1eav h GLY 103 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1eav h GLY 103 CO 0.00 0.40 0.11 1.41 0.00 0.00 0.00 176.54 178.46 1eav h LEU 104 N 0.47 0.61 -0.85 3.11 3.38 -1.65 0.18 115.31 120.56 1eav h LEU 104 Ca 0.08 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1eav h LEU 104 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1eav h LEU 104 CO 0.04 0.67 -0.16 -0.07 0.09 0.00 0.00 178.44 179.01 1eav h LEU 105 N 0.52 0.67 -0.34 1.67 3.38 -1.40 -2.43 115.31 117.38 1eav h LEU 105 Ca 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1eav h LEU 105 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1eav h LEU 105 CO -0.00 0.85 0.20 0.15 0.09 0.00 0.00 178.44 179.72 1eav h PHE 106 N 0.61 0.46 -0.23 1.13 3.57 0.56 -3.40 116.94 119.63 1eav h PHE 106 Ca 0.10 -0.01 -0.34 0.00 3.53 0.00 0.00 57.97 61.25 1eav h PHE 106 Cb 0.62 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1eav h PHE 106 CO 0.03 0.35 1.09 0.28 -2.23 0.00 0.00 178.31 177.83 1eav n VAL 107 N -4.79 1.22 0.00 1.41 0.31 0.56 -4.70 118.33 112.33 1eav n VAL 107 Ca -0.01 -1.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.11 1eav n VAL 107 Cb 0.07 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 1eav n VAL 107 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1eav n GLN 110 N 7.97 0.00 -0.23 5.55 7.27 -1.26 -4.50 117.38 132.18 1eav n GLN 110 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.50 1eav n GLN 110 Cb 0.45 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.19 1eav n GLN 110 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1eav h GLU 111 N 0.00 0.66 0.00 3.69 4.39 -1.97 0.30 114.58 121.66 1eav h GLU 111 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1eav h GLU 111 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1eav h GLU 111 CO 0.00 0.44 0.00 0.66 -1.16 0.00 0.00 179.01 178.95 1eav h SER 112 N 0.68 0.00 0.86 1.42 4.64 -1.95 -1.75 113.55 117.45 1eav h SER 112 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1eav h SER 112 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1eav h SER 112 CO -0.18 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.96 1eav n LEU 113 N -2.87 0.37 0.00 5.97 4.77 0.11 -2.20 117.00 123.14 1eav n LEU 113 Ca 0.01 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1eav n LEU 113 Cb 0.26 -0.49 0.36 0.00 -2.33 0.00 0.00 43.42 41.22 1eav n LEU 113 CO 0.24 -0.29 0.60 0.29 -1.33 0.00 0.00 177.39 176.90 1eav n LYS 114 N -1.89 0.01 -0.07 3.23 5.02 -0.66 -3.50 118.16 120.31 1eav n LYS 114 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 1eav n LYS 114 Cb 0.27 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 1eav n LYS 114 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1eav n ILE 115 N -1.51 1.63 -3.57 -0.18 5.41 -0.94 -5.01 119.36 115.19 1eav n ILE 115 Ca 0.06 -0.61 -0.13 0.00 1.00 0.00 0.00 62.75 63.06 1eav n ILE 115 Cb 0.34 -1.56 -0.06 0.00 -0.71 0.00 0.00 39.64 37.64 1eav n ILE 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1eav s THR 116 N -2.54 0.00 0.48 1.39 -1.32 -1.15 -5.03 115.64 107.48 1eav s THR 116 Ca -0.29 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.32 1eav s THR 116 Cb 0.08 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.32 1eav s THR 116 CO 0.68 0.00 2.10 -0.65 -2.21 0.00 0.00 174.62 174.54 1eav h PRO 117 N 3.26 0.13 0.00 7.08 0.11 -1.87 -0.96 132.00 139.76 1eav h PRO 117 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1eav h PRO 117 Cb 1.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1eav h PRO 117 CO 0.28 0.12 0.01 1.19 -0.21 0.00 0.00 178.00 179.39 1eav n PHE 118 N -4.48 0.00 -0.07 0.65 3.01 -1.26 -4.46 117.46 110.85 1eav n PHE 118 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 1eav n PHE 118 Cb 0.11 -0.38 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 1eav n PHE 118 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1eav n ALA 119 N -1.38 1.36 0.00 4.37 0.00 -0.36 -4.40 120.51 120.10 1eav n ALA 119 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1eav n ALA 119 Cb 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1eav n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1eav n LEU 121 N 3.80 0.00 -4.75 0.00 4.77 -1.26 -4.93 117.00 114.64 1eav n LEU 121 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1eav n LEU 121 Cb 0.04 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1eav n LEU 121 CO 0.36 0.00 0.80 -0.55 -1.33 0.00 0.00 177.39 176.67 1eav s SER 122 N 0.00 7.26 -0.31 -1.43 0.15 -1.26 -4.35 113.70 113.76 1eav s SER 122 Ca 0.00 2.18 0.07 0.00 0.70 0.00 0.00 55.95 58.90 1eav s SER 122 Cb 0.00 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.16 1eav s SER 122 CO 0.00 -0.19 1.36 0.54 1.20 0.00 0.00 173.24 176.15 1eav n ARG 123 N 1.86 2.57 -1.67 5.44 1.74 0.10 -5.01 116.66 121.69 1eav n ARG 123 Ca 0.01 -3.62 -0.41 0.00 -0.77 0.00 0.00 57.85 53.06 1eav n ARG 123 Cb 0.45 -2.00 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 1eav n ARG 123 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1eav n SER 124 N -0.94 2.01 -4.61 0.55 7.64 -1.26 -4.71 113.62 112.30 1eav n SER 124 Ca 0.37 1.06 -0.25 0.00 1.01 0.00 0.00 58.87 61.06 1eav n SER 124 Cb 0.90 -1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.56 1eav n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1eav s ALA 125 N -1.24 3.14 -0.19 -0.43 0.00 -1.26 -4.99 121.76 116.78 1eav s ALA 125 Ca 0.63 -2.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 1eav s ALA 125 Cb -0.52 -0.19 0.10 0.00 0.00 0.00 0.00 23.12 22.51 1eav s ALA 125 CO 0.57 0.03 0.89 0.00 0.00 0.00 0.00 175.76 177.25 1eav s ALA 126 N -2.58 -1.88 0.00 0.00 0.00 -1.26 -1.63 121.76 114.41 1eav s ALA 126 Ca 0.34 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1eav s ALA 126 Cb 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1eav s ALA 126 CO 0.18 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1eav n GLY 127 N 1.48 -0.45 3.85 0.00 0.00 -0.54 -3.30 105.19 106.24 1eav n GLY 127 Ca -0.13 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1eav n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1eav s ILE 128 N -2.00 5.23 -0.06 -0.61 1.01 0.17 -1.13 121.20 123.81 1eav s ILE 128 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1eav s ILE 128 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1eav s ILE 128 CO 0.00 0.45 -0.04 -0.60 0.00 0.00 0.00 174.94 174.75 1eav s ARG 129 N -1.51 0.96 4.83 2.79 3.52 -0.17 0.12 118.95 129.49 1eav s ARG 129 Ca 0.21 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1eav s ARG 129 Cb -0.12 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 1eav s ARG 129 CO 0.12 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1eav n GLY 130 N 4.46 2.98 0.84 8.12 0.00 -1.26 0.14 105.19 120.47 1eav n GLY 130 Ca -0.18 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1eav n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1eav n SER 131 N 7.37 2.71 -4.53 1.61 3.41 -1.26 -4.98 113.62 117.95 1eav n SER 131 Ca 0.00 -3.49 -0.35 0.00 -0.26 0.00 0.00 58.87 54.77 1eav n SER 131 Cb 0.00 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.27 1eav n SER 131 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1eav s THR 132 N -3.08 4.41 -0.08 6.66 2.01 0.12 -4.73 115.64 120.94 1eav s THR 132 Ca 0.41 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1eav s THR 132 Cb 0.36 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1eav s THR 132 CO 0.02 0.41 0.90 -0.22 -0.69 0.00 0.00 174.62 175.03 1eav s LEU 133 N 0.92 4.28 -0.11 4.42 2.96 -0.74 -1.00 118.68 129.41 1eav s LEU 133 Ca 0.03 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1eav s LEU 133 Cb -0.14 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1eav s LEU 133 CO 0.02 -0.32 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.93 1eav s ILE 134 N 1.52 2.67 -0.07 6.68 1.01 -0.28 -0.99 121.20 131.73 1eav s ILE 134 Ca 0.45 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1eav s ILE 134 Cb -0.19 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1eav s ILE 134 CO 0.19 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 174.93 1eav s ILE 135 N 0.18 1.13 0.70 2.92 1.01 -0.59 -1.46 121.20 125.09 1eav s ILE 135 Ca -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1eav s ILE 135 Cb -0.16 -1.04 0.09 0.00 0.01 0.00 0.00 42.46 41.36 1eav s ILE 135 CO 0.06 0.36 0.99 0.20 0.00 0.00 0.00 174.94 176.55 1eav s ASN 136 N 0.75 4.61 0.09 3.58 0.01 -0.64 -1.69 114.94 121.64 1eav s ASN 136 Ca -0.13 0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1eav s ASN 136 Cb -0.16 -0.69 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 1eav s ASN 136 CO 0.03 -1.69 -0.02 -2.84 -1.51 0.00 0.00 177.10 171.07 1eav s PRO 138 N -5.18 2.49 0.52 -0.60 0.02 -1.26 -4.69 135.00 126.29 1eav s PRO 138 Ca 0.63 -0.86 0.25 0.00 0.02 0.00 0.00 61.00 61.04 1eav s PRO 138 Cb -0.08 -2.51 1.37 0.00 0.02 0.00 0.00 34.50 33.29 1eav s PRO 138 CO 0.44 0.54 1.97 0.78 -0.33 0.00 0.00 177.00 180.40 1eav h GLY 139 N 3.51 0.10 -4.39 0.52 0.00 -1.88 -3.37 103.07 97.56 1eav h GLY 139 Ca -0.48 -0.02 -0.58 0.00 0.00 0.00 0.00 47.33 46.25 1eav h GLY 139 CO 0.58 0.01 0.54 0.70 0.00 0.00 0.00 176.54 178.37 1eav n ASN 140 N -4.37 2.70 0.08 0.19 3.02 -1.26 -4.68 115.26 110.93 1eav n ASN 140 Ca 0.12 1.18 0.06 0.00 -0.03 0.00 0.00 54.58 55.91 1eav n ASN 140 Cb 0.66 -1.45 0.50 0.00 -0.61 0.00 0.00 39.78 38.88 1eav n ASN 140 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1eav h PRO 141 N 3.26 0.36 0.00 3.52 0.11 -1.87 -2.28 132.00 135.10 1eav h PRO 141 Ca -0.45 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1eav h PRO 141 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1eav h PRO 141 CO 0.68 0.24 -0.67 -0.91 -0.21 0.00 0.00 178.00 177.14 1eav h ASN 142 N 0.37 0.00 -0.62 -2.05 2.35 -1.96 -3.35 115.58 110.32 1eav h ASN 142 Ca 0.11 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1eav h ASN 142 Cb -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 1eav h ASN 142 CO -0.02 0.62 -0.32 0.00 -1.65 0.00 0.00 177.43 176.06 1eav h ALA 143 N 1.38 0.03 0.00 -0.83 0.00 -1.74 0.24 119.26 118.35 1eav h ALA 143 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1eav h ALA 143 Cb 1.48 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 1eav h ALA 143 CO 0.08 -0.64 -0.06 0.28 0.00 0.00 0.00 179.25 178.91 1eav h VAL 144 N -0.14 0.71 -0.04 0.00 2.07 -1.70 0.72 116.25 117.88 1eav h VAL 144 Ca 0.25 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1eav h VAL 144 Cb 0.55 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1eav h VAL 144 CO -0.70 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 176.75 1eav h ALA 145 N 1.94 0.07 -0.17 1.67 0.00 -0.75 -3.31 119.26 118.72 1eav h ALA 145 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1eav h ALA 145 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1eav h ALA 145 CO 0.01 0.06 -0.08 0.93 0.00 0.00 0.00 179.25 180.16 1eav h GLU 146 N -0.37 0.35 -0.42 0.00 5.08 -0.68 -1.24 114.58 117.29 1eav h GLU 146 Ca -0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1eav h GLU 146 Cb 0.87 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1eav h GLU 146 CO 0.04 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1eav n GLU 149 N 0.54 0.00 0.09 0.00 2.13 -0.47 -2.18 120.64 120.74 1eav n GLU 149 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1eav n GLU 149 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1eav n GLU 149 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1eav h ALA 150 N 0.00 0.45 0.00 4.31 0.00 -1.65 -3.36 119.26 119.01 1eav h ALA 150 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 54.91 53.81 1eav h ALA 150 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1eav h ALA 150 CO 0.00 0.99 -1.93 1.28 0.00 0.00 0.00 179.25 179.59 1eav n LEU 151 N -3.58 0.63 -0.07 0.00 4.77 -0.93 -4.54 117.00 113.27 1eav n LEU 151 Ca -0.03 0.28 0.25 0.00 -0.03 0.00 0.00 56.01 56.48 1eav n LEU 151 Cb 0.86 0.26 0.72 0.00 -2.33 0.00 0.00 43.42 42.92 1eav n LEU 151 CO 0.48 0.43 1.23 0.25 -1.33 0.00 0.00 177.39 178.45 1eav h LEU 152 N 0.00 0.00 -1.55 2.23 5.85 -1.84 0.10 115.31 120.10 1eav h LEU 152 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1eav h LEU 152 Cb 2.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.12 1eav h LEU 152 CO 0.06 0.00 0.00 -0.65 -0.34 0.00 0.00 178.44 177.51 1eav h PRO 153 N 0.00 0.00 0.00 5.25 0.11 -1.81 -3.34 132.00 132.21 1eav h PRO 153 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1eav h PRO 153 Cb 1.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1eav h PRO 153 CO -0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1eav n ALA 154 N -1.85 0.24 0.30 -0.75 0.00 0.28 -4.77 120.51 113.96 1eav n ALA 154 Ca -0.01 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.61 1eav n ALA 154 Cb 0.10 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.44 1eav n ALA 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1eav h LEU 155 N 0.00 0.00 0.41 0.00 5.85 -1.47 0.26 115.31 120.36 1eav h LEU 155 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1eav h LEU 155 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1eav h LEU 155 CO 0.00 0.02 -0.20 0.50 -0.34 0.00 0.00 178.44 178.43 1eav h LYS 156 N 0.00 -0.53 -0.64 1.25 3.64 -1.80 -0.98 116.57 117.49 1eav h LYS 156 Ca -0.00 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1eav h LYS 156 Cb 0.29 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1eav h LYS 156 CO 0.00 -0.24 0.43 1.25 -2.27 0.00 0.00 179.45 178.62 1eav h HIS 157 N -1.00 0.77 -0.15 1.91 2.76 -1.72 -1.97 115.15 115.76 1eav h HIS 157 Ca -0.06 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1eav h HIS 157 Cb 0.55 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 1eav h HIS 157 CO 0.02 0.47 -0.09 0.00 -1.30 0.00 0.00 177.93 177.03 1eav h ALA 158 N 1.61 0.04 -0.15 5.26 0.00 -0.34 -0.87 119.26 124.82 1eav h ALA 158 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1eav h ALA 158 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1eav h ALA 158 CO -0.06 -0.53 -0.53 -0.07 0.00 0.00 0.00 179.25 178.06 1eav h LEU 159 N -0.08 0.47 -0.48 0.00 3.38 -0.79 -2.91 115.31 114.90 1eav h LEU 159 Ca 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1eav h LEU 159 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1eav h LEU 159 CO -0.20 0.91 0.25 0.50 0.09 0.00 0.00 178.44 179.99 1eav h LYS 160 N 0.33 0.67 0.00 1.13 3.64 -1.05 -1.97 116.57 119.33 1eav h LYS 160 Ca 0.01 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1eav h LYS 160 Cb 1.03 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1eav h LYS 160 CO 0.09 0.54 -0.02 1.96 -2.27 0.00 0.00 179.45 179.75 1eav h GLN 161 N 0.63 0.00 -0.01 1.90 4.20 -0.98 -3.51 115.11 117.34 1eav h GLN 161 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1eav h GLN 161 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1eav h GLN 161 CO -0.03 0.02 0.00 -0.89 -0.67 0.00 0.00 178.83 177.26