#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 1.81 -0.08 1.61 -0.02 -1.26 -4.96 135.00 132.10 1eav n PRO 4 Ca 0.00 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1eav n PRO 4 Cb 0.00 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 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 4.51 0.00 -5.16 -0.52 4.81 -1.90 -3.45 114.58 112.87 1eav h GLU 5 Ca -0.45 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.16 1eav h GLU 5 Cb 1.29 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.53 1eav h GLU 5 CO 0.78 0.77 -0.41 0.71 -0.73 0.00 0.00 179.01 180.13 1eav s TYR 6 N -2.18 3.32 -0.25 0.92 4.12 -1.05 -5.01 117.35 117.21 1eav s TYR 6 Ca -0.19 0.32 -0.14 0.00 0.02 0.00 0.00 57.07 57.08 1eav s TYR 6 Cb 0.01 -2.36 -0.04 0.00 -1.52 0.00 0.00 41.96 38.05 1eav s TYR 6 CO 0.52 0.01 0.34 0.15 0.02 0.00 0.00 175.55 176.59 1eav s LYS 7 N 1.25 4.05 0.03 -0.62 1.02 -1.26 -0.76 119.74 123.44 1eav s LYS 7 Ca 0.11 0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.17 1eav s LYS 7 Cb -0.14 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 1eav s LYS 7 CO 0.06 -0.18 -0.18 0.08 -0.92 0.00 0.00 175.35 174.22 1eav s VAL 8 N 1.76 2.81 0.04 3.17 1.01 0.61 -0.85 120.40 128.94 1eav s VAL 8 Ca 0.14 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1eav s VAL 8 Cb -0.15 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1eav s VAL 8 CO 0.09 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.44 1eav s ALA 9 N -0.89 1.02 -0.08 5.51 0.00 0.48 -0.93 121.76 126.88 1eav s ALA 9 Ca 0.14 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1eav s ALA 9 Cb -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1eav s ALA 9 CO 0.04 0.17 -0.16 0.42 0.00 0.00 0.00 175.76 176.23 1eav s ILE 10 N -0.90 1.44 -0.19 0.00 1.01 -0.55 -1.15 121.20 120.87 1eav s ILE 10 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1eav s ILE 10 Cb -0.08 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1eav s ILE 10 CO 0.01 0.42 -0.14 -0.22 0.00 0.00 0.00 174.94 175.01 1eav s LEU 11 N 0.54 2.44 -0.16 2.97 2.96 -0.46 -2.07 118.68 124.90 1eav s LEU 11 Ca -0.16 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 1eav s LEU 11 Cb -0.16 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1eav s LEU 11 CO 0.05 0.00 0.15 -0.89 -1.32 0.00 0.00 176.35 174.35 1eav s THR 12 N 1.30 5.43 -0.15 3.68 2.01 -0.07 -1.05 115.64 126.79 1eav s THR 12 Ca 0.04 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1eav s THR 12 Cb -0.14 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1eav s THR 12 CO -0.08 0.52 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1eav s VAL 13 N -0.25 2.47 0.00 3.82 1.01 0.11 -1.89 120.40 125.67 1eav s VAL 13 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1eav s VAL 13 Cb -0.12 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1eav s VAL 13 CO 0.01 0.53 0.00 -0.24 0.00 0.00 0.00 175.10 175.40 1eav n SER 14 N 4.06 0.00 -0.21 3.32 2.88 -0.53 -4.41 113.62 118.74 1eav n SER 14 Ca -0.19 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.36 1eav n SER 14 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.09 1eav n SER 14 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1eav h ASP 15 N 0.00 -0.17 0.12 -3.46 3.32 -1.86 -1.32 116.42 113.04 1eav h ASP 15 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1eav h ASP 15 Cb 0.00 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1eav h ASP 15 CO 0.00 -0.08 -0.19 0.74 -1.72 0.00 0.00 179.24 177.99 1eav h THR 16 N 0.17 0.57 -0.53 0.35 2.02 -1.95 -2.31 112.91 111.22 1eav h THR 16 Ca 0.33 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.45 1eav h THR 16 Cb 0.53 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1eav h THR 16 CO -0.49 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.06 1eav h VAL 17 N -0.37 1.25 0.00 3.16 2.07 -1.69 -1.52 116.25 119.14 1eav h VAL 17 Ca 0.02 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1eav h VAL 17 Cb 0.39 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1eav h VAL 17 CO -0.10 0.34 -0.11 -1.28 0.02 0.00 0.00 177.57 176.45 1eav h SER 18 N 0.75 0.00 0.12 0.57 0.87 -1.12 0.84 113.55 115.57 1eav h SER 18 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1eav h SER 18 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1eav h SER 18 CO 0.01 0.11 -0.14 0.00 -0.53 0.00 0.00 176.83 176.28 1eav n ALA 19 N -2.35 2.85 -1.05 6.23 0.00 -0.88 -4.89 120.51 120.42 1eav n ALA 19 Ca -0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1eav n ALA 19 Cb 0.20 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 1.27 0.49 0.02 0.00 0.00 0.29 -4.90 105.19 102.35 1eav n GLY 20 Ca 0.15 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 1.03 2.53 -3.80 4.61 0.00 -0.59 -4.93 120.51 119.36 1eav n ALA 21 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1eav n ALA 21 Cb 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.61 -0.11 0.61 0.00 0.00 -1.20 -4.97 107.32 99.04 1eav s GLY 22 Ca 0.27 0.01 0.05 0.00 0.00 0.00 0.00 44.72 45.04 1eav s GLY 22 CO 0.48 1.41 0.84 2.56 0.00 0.00 0.00 173.10 178.39 1eav s PRO 23 N -2.59 2.15 -0.41 2.90 0.04 -1.26 -4.43 135.00 131.40 1eav s PRO 23 Ca 0.18 -1.29 -0.14 0.00 0.04 0.00 0.00 61.00 59.79 1eav s PRO 23 Cb -0.01 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1eav s PRO 23 CO 0.02 -1.00 0.28 0.34 0.04 0.00 0.00 177.00 176.68 1eav s ASP 24 N -4.63 5.99 -0.02 6.66 3.68 -1.26 -4.84 116.67 122.25 1eav s ASP 24 Ca 0.62 -0.99 0.20 0.00 2.13 0.00 0.00 52.55 54.51 1eav s ASP 24 Cb -0.07 -2.12 -0.27 0.00 -1.45 0.00 0.00 42.92 39.01 1eav s ASP 24 CO 0.40 -0.45 0.56 0.54 0.13 0.00 0.00 175.17 176.35 1eav n ARG 25 N 5.11 0.62 -0.07 4.34 1.74 -1.26 -4.31 116.66 122.82 1eav n ARG 25 Ca -0.11 -0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 56.73 1eav n ARG 25 Cb 0.46 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.95 0.74 -0.19 0.55 3.41 -1.26 -4.09 113.62 110.83 1eav n SER 26 Ca -0.01 0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1eav n SER 26 Cb 0.44 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 1eav n SER 26 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1eav h GLY 27 N 3.29 -1.02 1.64 5.00 0.00 -1.92 -1.74 103.07 108.32 1eav h GLY 27 Ca -0.47 0.74 0.02 0.00 0.00 0.00 0.00 47.33 47.63 1eav h GLY 27 CO 0.03 -0.11 0.19 -0.56 0.00 0.00 0.00 176.54 176.09 1eav h PRO 28 N -0.30 0.27 -0.17 4.80 0.13 -1.77 -1.04 132.00 133.92 1eav h PRO 28 Ca 0.09 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 1eav h PRO 28 Cb 0.54 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1eav h PRO 28 CO -0.65 0.18 -0.11 0.00 -0.23 0.00 0.00 178.00 177.19 1eav h ARG 29 N 0.28 0.37 -0.18 0.86 2.47 -1.49 -1.12 114.38 115.57 1eav h ARG 29 Ca 0.12 -0.18 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1eav h ARG 29 Cb 0.11 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1eav h ARG 29 CO -0.02 0.71 0.05 0.00 0.56 0.00 0.00 179.97 181.27 1eav h ALA 30 N 0.66 0.20 -0.52 0.04 0.00 -0.75 0.39 119.26 119.27 1eav h ALA 30 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1eav h ALA 30 Cb 0.61 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1eav h ALA 30 CO 0.03 -0.38 0.21 0.28 0.00 0.00 0.00 179.25 179.40 1eav h VAL 31 N 0.14 0.87 -0.14 0.00 2.07 -1.07 0.07 116.25 118.19 1eav h VAL 31 Ca 0.08 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1eav h VAL 31 Cb 0.06 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1eav h VAL 31 CO -0.09 0.08 -0.47 -1.28 0.02 0.00 0.00 177.57 175.82 1eav h SER 32 N 0.42 0.39 -0.93 0.57 0.87 -0.52 -1.56 113.55 112.78 1eav h SER 32 Ca 0.24 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1eav h SER 32 Cb 0.23 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1eav h SER 32 CO -0.22 0.80 0.57 0.58 -0.53 0.00 0.00 176.83 178.03 1eav h VAL 33 N 0.29 1.25 0.16 2.23 2.07 0.32 0.42 116.25 122.99 1eav h VAL 33 Ca 0.02 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1eav h VAL 33 Cb 0.94 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1eav h VAL 33 CO 0.08 0.27 -0.08 0.58 0.02 0.00 0.00 177.57 178.44 1eav h VAL 34 N 1.29 0.87 0.24 2.57 2.07 -0.28 -1.69 116.25 121.32 1eav h VAL 34 Ca 0.34 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1eav h VAL 34 Cb -0.06 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1eav h VAL 34 CO -0.06 0.02 -0.19 0.44 0.02 0.00 0.00 177.57 177.80 1eav h ASP 35 N -0.26 -0.50 0.00 0.57 3.45 -1.07 0.38 116.42 118.99 1eav h ASP 35 Ca -0.02 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1eav h ASP 35 Cb 0.20 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1eav h ASP 35 CO 0.04 -0.30 0.24 -1.28 -1.57 0.00 0.00 179.24 176.37 1eav h SER 36 N -0.44 0.00 -0.06 6.45 0.87 -0.77 -1.49 113.55 118.11 1eav h SER 36 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1eav h SER 36 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1eav h SER 36 CO -0.02 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.08 1eav n SER 37 N -2.43 2.19 -0.36 6.23 7.64 0.12 -4.68 113.62 122.34 1eav n SER 37 Ca -0.01 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.28 1eav n SER 37 Cb 0.28 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.51 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 2.54 -1.26 0.00 6.43 0.87 -0.11 0.17 113.55 122.19 1eav h SER 38 Ca 0.00 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1eav h SER 38 Cb 0.57 0.70 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1eav h SER 38 CO 0.00 -0.30 0.00 1.21 -0.53 0.00 0.00 176.83 177.21 1eav n GLU 39 N -5.51 0.00 0.30 2.24 2.13 -1.26 0.13 120.64 118.67 1eav n GLU 39 Ca 0.11 0.73 0.16 0.00 0.66 0.00 0.00 57.16 58.82 1eav n GLU 39 Cb 0.42 -1.50 0.88 0.00 0.27 0.00 0.00 31.44 31.51 1eav n GLU 39 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1eav h LYS 40 N 0.00 0.00 -0.00 5.31 1.57 -1.78 0.89 116.57 122.56 1eav h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1eav h LYS 40 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1eav h LYS 40 CO 0.00 0.00 -0.20 1.28 -0.57 0.00 0.00 179.45 179.96 1eav n LEU 41 N -2.79 0.42 0.00 2.94 4.77 0.56 -4.67 117.00 118.22 1eav n LEU 41 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1eav n LEU 41 Cb 0.24 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1eav n LEU 41 CO 0.14 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1eav n GLY 42 N 1.39 0.98 1.38 -0.72 0.00 0.31 -4.51 105.19 104.01 1eav n GLY 42 Ca 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 -3.39 3.37 -0.02 0.00 0.35 -4.80 105.19 98.70 1eav n GLY 43 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.12 -1.24 0.02 4.61 0.00 -1.25 -2.52 121.76 121.26 1eav s ALA 44 Ca -0.01 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1eav s ALA 44 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1eav s ALA 44 CO 0.04 -0.43 0.28 0.21 0.00 0.00 0.00 175.76 175.86 1eav s LYS 45 N -2.07 0.72 -0.17 0.00 2.20 0.06 -4.55 119.74 115.93 1eav s LYS 45 Ca -0.08 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 54.96 1eav s LYS 45 Cb -0.01 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1eav s LYS 45 CO 0.01 -0.21 0.51 0.08 -0.36 0.00 0.00 175.35 175.37 1eav s VAL 46 N -2.00 5.13 -0.21 4.02 1.01 -1.26 -0.29 120.40 126.80 1eav s VAL 46 Ca -0.09 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1eav s VAL 46 Cb -0.03 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1eav s VAL 46 CO -0.00 0.23 0.46 1.33 0.00 0.00 0.00 175.10 177.13 1eav n VAL 47 N 4.21 0.00 -3.61 2.92 0.24 -0.10 -4.91 118.33 117.07 1eav n VAL 47 Ca -0.05 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.63 1eav n VAL 47 Cb 0.51 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.36 -1.86 0.09 2.33 0.00 -1.24 -5.07 121.76 115.65 1eav s ALA 48 Ca 0.02 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1eav s ALA 48 Cb 0.02 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1eav s ALA 48 CO 0.03 -0.31 -0.02 0.95 0.00 0.00 0.00 175.76 176.42 1eav s THR 49 N -0.01 0.38 0.12 0.00 -4.23 -1.26 -1.48 115.64 109.16 1eav s THR 49 Ca -0.00 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 58.41 1eav s THR 49 Cb -0.04 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.13 1eav s THR 49 CO -0.00 -0.81 0.54 0.00 -0.54 0.00 0.00 174.62 173.80 1eav s ALA 50 N -3.83 -1.38 -0.03 3.99 0.00 -0.88 -4.96 121.76 114.67 1eav s ALA 50 Ca 0.13 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1eav s ALA 50 Cb 0.07 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1eav s ALA 50 CO -0.05 -0.66 -0.22 0.08 0.00 0.00 0.00 175.76 174.91 1eav s VAL 51 N -3.36 1.77 0.10 0.00 1.01 -1.26 -0.89 120.40 117.77 1eav s VAL 51 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1eav s VAL 51 Cb -0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1eav s VAL 51 CO -0.09 0.50 0.00 0.68 0.00 0.00 0.00 175.10 176.19 1eav s VAL 52 N -0.35 0.28 1.01 2.92 -7.23 -0.79 -4.95 120.40 111.28 1eav s VAL 52 Ca 0.04 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 1eav s VAL 52 Cb -0.10 -1.79 0.22 0.00 0.56 0.00 0.00 36.38 35.27 1eav s VAL 52 CO 0.01 -0.74 1.29 -2.16 -0.31 0.00 0.00 175.10 173.19 1eav s PRO 53 N -3.96 0.24 -1.44 4.82 0.04 -1.26 -1.45 135.00 132.00 1eav s PRO 53 Ca 0.16 -0.36 -0.13 0.00 0.04 0.00 0.00 61.00 60.71 1eav s PRO 53 Cb 0.07 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.87 1eav s PRO 53 CO -0.04 -2.69 2.22 -0.25 0.04 0.00 0.00 177.00 176.28 1eav n ASP 54 N -3.97 4.43 -3.87 6.66 8.00 -1.26 -4.47 116.55 122.06 1eav n ASP 54 Ca 0.15 -2.87 -0.19 0.00 0.71 0.00 0.00 54.79 52.59 1eav n ASP 54 Cb 0.59 -1.62 -0.16 0.00 -0.02 0.00 0.00 41.12 39.91 1eav n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1eav s GLU 55 N 2.60 0.65 0.17 -1.24 2.02 -1.26 -4.83 118.70 116.81 1eav s GLU 55 Ca 0.47 -0.05 -0.14 0.00 0.02 0.00 0.00 54.97 55.27 1eav s GLU 55 Cb 0.14 -0.70 0.11 0.00 0.10 0.00 0.00 34.13 33.78 1eav s GLU 55 CO -0.07 -0.09 1.79 -0.39 0.02 0.00 0.00 175.26 176.52 1eav h VAL 56 N 6.14 0.97 -1.00 2.63 -1.51 -1.89 -1.56 116.25 120.03 1eav h VAL 56 Ca -0.40 -0.16 0.09 0.00 -1.23 0.00 0.00 66.70 65.00 1eav h VAL 56 Cb 1.15 0.45 -0.07 0.00 -2.13 0.00 0.00 31.29 30.68 1eav h VAL 56 CO 0.48 0.09 0.64 -0.33 -1.23 0.00 0.00 177.57 177.21 1eav h GLU 57 N 0.48 1.06 -0.46 5.19 4.39 -1.97 0.41 114.58 123.68 1eav h GLU 57 Ca 0.21 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1eav h GLU 57 Cb 0.11 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1eav h GLU 57 CO -0.14 0.70 -0.09 0.00 -1.16 0.00 0.00 179.01 178.32 1eav h ARG 58 N 1.09 0.81 -0.07 2.33 2.47 -1.66 -1.88 114.38 117.47 1eav h ARG 58 Ca 0.46 -0.27 -0.23 0.00 -1.26 0.00 0.00 59.98 58.68 1eav h ARG 58 Cb 0.30 -0.07 0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1eav h ARG 58 CO -0.21 0.88 -0.85 0.82 0.56 0.00 0.00 179.97 181.17 1eav h ILE 59 N 0.74 1.30 -0.41 2.04 2.04 -0.53 -3.12 117.51 119.56 1eav h ILE 59 Ca 0.13 -2.09 0.04 0.00 1.00 0.00 0.00 64.86 63.94 1eav h ILE 59 Cb 0.58 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 1eav h ILE 59 CO 0.04 0.65 0.16 0.11 0.00 0.00 0.00 178.15 179.11 1eav h LYS 60 N 0.38 0.33 -0.16 2.37 1.57 0.03 -2.02 116.57 119.08 1eav h LYS 60 Ca -0.09 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1eav h LYS 60 Cb 1.50 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 1eav h LYS 60 CO 0.17 0.22 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.79 1eav h ASP 61 N 0.34 -0.16 -0.56 0.86 3.32 -1.34 0.48 116.42 119.36 1eav h ASP 61 Ca 0.18 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1eav h ASP 61 Cb 0.14 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1eav h ASP 61 CO -0.17 -0.06 0.26 0.40 -1.72 0.00 0.00 179.24 177.95 1eav h ILE 62 N -0.01 1.21 -0.75 0.35 1.08 -1.43 0.59 117.51 118.56 1eav h ILE 62 Ca 0.08 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1eav h ILE 62 Cb 0.13 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1eav h ILE 62 CO -0.17 0.24 0.44 -0.07 -0.69 0.00 0.00 178.15 177.90 1eav h LEU 63 N 0.76 0.90 0.04 1.44 3.38 -0.79 0.16 115.31 121.20 1eav h LEU 63 Ca 0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1eav h LEU 63 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1eav h LEU 63 CO -0.02 0.71 -0.02 1.56 0.09 0.00 0.00 178.44 180.76 1eav h GLN 64 N 1.03 -0.05 -0.50 1.13 4.20 0.23 -2.23 115.11 118.93 1eav h GLN 64 Ca 0.27 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.04 1eav h GLN 64 Cb -0.02 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1eav h GLN 64 CO -0.05 0.39 0.19 -0.22 -0.67 0.00 0.00 178.83 178.47 1eav h LYS 65 N -0.50 0.36 0.00 1.46 3.64 0.80 0.97 116.57 123.30 1eav h LYS 65 Ca -0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1eav h LYS 65 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1eav h LYS 65 CO 0.01 0.24 -0.49 -1.49 -2.27 0.00 0.00 179.45 175.45 1eav h TRP 66 N 0.38 0.00 0.00 1.91 6.55 -0.61 0.44 115.95 124.61 1eav h TRP 66 Ca 0.23 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 60.01 1eav h TRP 66 Cb 0.23 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 1eav h TRP 66 CO -0.15 0.49 -0.39 0.77 -1.05 0.00 0.00 178.44 178.11 1eav h SER 67 N 0.00 0.00 0.27 -3.49 0.02 -0.91 -2.01 113.55 107.43 1eav h SER 67 Ca -0.00 -0.60 -0.28 0.00 -0.84 0.00 0.00 61.79 60.07 1eav h SER 67 Cb 1.16 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.72 1eav h SER 67 CO 0.06 1.02 -1.16 0.44 -1.14 0.00 0.00 176.83 176.06 1eav h ASP 68 N -1.00 0.71 0.00 3.07 3.32 -0.83 -3.19 116.42 118.51 1eav h ASP 68 Ca -0.09 -0.65 -0.26 0.00 0.02 0.00 0.00 57.03 56.05 1eav h ASP 68 Cb 0.86 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1eav h ASP 68 CO -0.06 1.46 -1.73 0.52 -1.72 0.00 0.00 179.24 177.72 1eav n VAL 69 N -3.74 1.51 0.74 -1.35 0.31 0.10 -4.49 118.33 111.42 1eav n VAL 69 Ca -0.11 -0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1eav n VAL 69 Cb 0.95 -2.08 0.47 0.00 -0.91 0.00 0.00 33.84 32.27 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 -4.37 0.57 -1.52 4.52 8.00 -0.96 -5.04 116.55 117.75 1eav n ASP 70 Ca -0.36 0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1eav n ASP 70 Cb 0.70 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.03 -3.06 0.00 -1.24 1.02 -0.76 -4.97 120.64 109.60 1eav n GLU 71 Ca 0.06 2.26 0.00 0.00 -0.02 0.00 0.00 57.16 59.46 1eav n GLU 71 Cb 0.40 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 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 -0.62 4.23 -3.68 1.62 8.00 -0.03 -4.99 116.55 121.08 1eav n ASP 73 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1eav n ASP 73 Cb 0.00 0.18 -0.18 0.00 -0.02 0.00 0.00 41.12 41.10 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 -4.56 0.18 -0.17 0.64 2.96 -0.93 -1.43 118.68 115.36 1eav s LEU 74 Ca 0.00 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1eav s LEU 74 Cb 0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 1eav s LEU 74 CO 0.00 -0.25 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.08 1eav s ILE 75 N 2.15 3.40 -0.10 6.68 1.01 -0.21 -0.38 121.20 133.75 1eav s ILE 75 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1eav s ILE 75 Cb -0.12 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1eav s ILE 75 CO -0.03 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.55 1eav s LEU 76 N 0.83 3.09 0.09 2.97 1.43 -0.30 -1.63 118.68 125.16 1eav s LEU 76 Ca -0.02 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1eav s LEU 76 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1eav s LEU 76 CO 0.01 0.27 -0.06 0.42 0.23 0.00 0.00 176.35 177.22 1eav s THR 77 N -0.27 3.62 -0.09 5.49 -4.23 -0.72 -1.36 115.64 118.09 1eav s THR 77 Ca 0.04 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1eav s THR 77 Cb -0.13 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1eav s THR 77 CO 0.03 0.15 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.41 1eav s LEU 78 N -2.13 1.39 0.00 4.79 1.43 -0.22 -4.54 118.68 119.40 1eav s LEU 78 Ca 0.22 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1eav s LEU 78 Cb -0.11 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1eav s LEU 78 CO 0.14 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1eav n GLY 79 N 4.38 0.20 2.17 -3.19 0.00 -1.26 0.07 105.19 107.57 1eav n GLY 79 Ca -0.18 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 0.35 0.35 0.56 -0.02 0.00 -1.26 -4.65 105.19 100.51 1eav n GLY 80 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.61 1.00 -1.45 2.61 -2.24 -1.26 -0.90 114.28 108.43 1eav n THR 81 Ca -0.09 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1eav n THR 81 Cb 0.47 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.38 1.42 0.00 3.38 0.00 -1.26 0.17 105.19 109.28 1eav n GLY 82 Ca 0.10 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -1.63 1.61 3.01 -1.26 -4.71 117.46 114.48 1eav n PHE 83 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1eav n PHE 83 Cb 0.00 -0.11 0.05 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.66 3.69 0.28 4.37 -1.04 -1.26 -4.89 114.28 113.77 1eav n THR 84 Ca 0.02 -0.50 0.16 0.00 -2.04 0.00 0.00 64.05 61.69 1eav n THR 84 Cb 0.37 -1.22 0.77 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.66 0.00 0.00 -2.82 0.11 -2.03 -2.54 132.00 125.38 1eav h PRO 85 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1eav h PRO 85 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1eav h PRO 85 CO 0.52 0.06 -0.51 0.00 -0.21 0.00 0.00 178.00 177.87 1eav h ARG 86 N 0.00 0.00 -5.57 1.05 2.47 -1.95 -3.42 114.38 106.96 1eav h ARG 86 Ca -0.00 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.28 1eav h ARG 86 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1eav h ARG 86 CO 0.01 0.23 1.57 -0.25 0.56 0.00 0.00 179.97 182.10 1eav n ASP 87 N -3.07 2.20 -0.21 7.04 8.00 -0.96 -4.69 116.55 124.86 1eav n ASP 87 Ca 0.01 -0.53 0.09 0.00 0.71 0.00 0.00 54.79 55.06 1eav n ASP 87 Cb 0.65 -1.56 0.15 0.00 -0.02 0.00 0.00 41.12 40.34 1eav n ASP 87 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1eav n VAL 88 N 8.02 1.85 -0.15 2.53 0.24 -1.17 -4.81 118.33 124.83 1eav n VAL 88 Ca 0.39 -2.35 -0.04 0.00 -2.04 0.00 0.00 64.34 60.30 1eav n VAL 88 Cb 0.52 -0.19 0.05 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.59 0.91 -0.43 3.34 2.02 -1.29 -0.92 112.91 117.12 1eav h THR 89 Ca -0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1eav h THR 89 Cb 1.03 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1eav h THR 89 CO 0.00 0.07 -0.06 -0.65 0.37 0.00 0.00 175.52 175.25 1eav h PRO 90 N 0.41 0.74 -0.69 6.66 0.11 -1.86 0.26 132.00 137.62 1eav h PRO 90 Ca 0.21 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1eav h PRO 90 Cb 0.17 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1eav h PRO 90 CO -0.18 0.79 0.31 0.93 -0.21 0.00 0.00 178.00 179.64 1eav h GLU 91 N 0.68 1.00 -0.29 1.05 3.07 -1.61 0.20 114.58 118.68 1eav h GLU 91 Ca 0.13 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1eav h GLU 91 Cb 0.51 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1eav h GLU 91 CO 0.03 0.79 -0.10 0.00 -1.40 0.00 0.00 179.01 178.33 1eav h ALA 92 N 1.34 0.41 -0.87 3.43 0.00 0.38 -2.70 119.26 121.25 1eav h ALA 92 Ca 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1eav h ALA 92 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1eav h ALA 92 CO -0.03 0.26 0.57 1.15 0.00 0.00 0.00 179.25 181.21 1eav h THR 93 N 0.34 1.18 0.00 0.00 2.02 -0.18 -2.48 112.91 113.79 1eav h THR 93 Ca 0.07 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1eav h THR 93 Cb 0.60 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1eav h THR 93 CO 0.04 0.21 -0.31 0.11 0.37 0.00 0.00 175.52 175.93 1eav h LYS 94 N 1.13 0.00 0.00 6.66 1.57 -0.66 -1.97 116.57 123.30 1eav h LYS 94 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1eav h LYS 94 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1eav h LYS 94 CO -0.09 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.74 1eav n LYS 95 N -3.84 0.11 -0.00 3.15 5.02 -0.94 -4.01 118.16 117.65 1eav n LYS 95 Ca -0.01 0.29 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1eav n LYS 95 Cb 0.39 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.90 0.00 -1.96 -0.18 0.24 -0.77 -5.02 118.33 108.74 1eav n VAL 96 Ca 0.04 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.34 61.90 1eav n VAL 96 Cb 0.24 0.57 0.01 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.93 4.42 -0.09 1.34 -4.36 -1.05 -4.73 121.20 114.80 1eav s ILE 97 Ca -0.00 0.92 0.04 0.00 -0.26 0.00 0.00 60.65 61.35 1eav s ILE 97 Cb 0.01 -3.68 -0.09 0.00 1.25 0.00 0.00 42.46 39.96 1eav s ILE 97 CO 0.06 -0.90 -0.03 -0.62 0.24 0.00 0.00 174.94 173.70 1eav n GLU 98 N -2.45 1.56 -3.92 0.37 1.02 0.31 -4.95 120.64 112.58 1eav n GLU 98 Ca 0.07 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.97 1eav n GLU 98 Cb 0.54 -1.21 -0.17 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.21 1.40 0.57 3.49 0.52 -0.87 -4.96 118.95 116.89 1eav s ARG 99 Ca -0.09 -0.21 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 1eav s ARG 99 Cb 0.03 -1.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1eav s ARG 99 CO 0.30 -0.26 1.05 -1.21 0.02 0.00 0.00 175.30 175.20 1eav s GLU 100 N 1.69 3.44 -0.50 3.54 2.02 -1.26 -0.39 118.70 127.24 1eav s GLU 100 Ca 0.04 1.19 0.07 0.00 0.02 0.00 0.00 54.97 56.30 1eav s GLU 100 Cb -0.13 -2.05 0.27 0.00 0.10 0.00 0.00 34.13 32.33 1eav s GLU 100 CO -0.07 -0.71 0.69 0.25 0.02 0.00 0.00 175.26 175.43 1eav n THR 101 N -1.87 0.99 0.31 3.63 -2.24 -1.20 -4.85 114.28 109.05 1eav n THR 101 Ca 0.09 -4.74 0.19 0.00 -2.27 0.00 0.00 64.05 57.32 1eav n THR 101 Cb 0.53 -1.73 0.90 0.00 -2.10 0.00 0.00 70.33 67.93 1eav n THR 101 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1eav h PRO 102 N 3.81 0.00 -0.79 -0.78 0.11 -1.95 -1.47 132.00 130.92 1eav h PRO 102 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1eav h PRO 102 Cb 0.76 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 1eav h PRO 102 CO 0.65 0.00 0.42 0.78 -0.21 0.00 0.00 178.00 179.65 1eav h GLY 103 N 1.10 1.19 0.97 -0.55 0.00 -1.98 0.26 103.07 104.06 1eav h GLY 103 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1eav h GLY 103 CO 0.00 0.53 0.15 1.41 0.00 0.00 0.00 176.54 178.63 1eav h LEU 104 N 1.11 0.30 -1.18 3.11 3.38 -1.70 0.57 115.31 120.89 1eav h LEU 104 Ca 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1eav h LEU 104 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1eav h LEU 104 CO -0.04 0.27 0.43 -0.07 0.09 0.00 0.00 178.44 179.12 1eav h LEU 105 N 0.31 0.88 -0.34 1.67 3.38 -1.51 -1.50 115.31 118.20 1eav h LEU 105 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1eav h LEU 105 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1eav h LEU 105 CO -0.02 0.68 0.08 0.15 0.09 0.00 0.00 178.44 179.43 1eav h PHE 106 N 1.01 0.56 -0.30 1.13 3.57 0.62 -3.41 116.94 120.13 1eav h PHE 106 Ca 0.26 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1eav h PHE 106 Cb -0.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1eav h PHE 106 CO 0.00 0.58 0.42 0.08 -2.23 0.00 0.00 178.31 177.16 1eav s VAL 107 N -5.30 3.22 0.00 1.41 1.01 0.08 -4.67 120.40 116.15 1eav s VAL 107 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1eav s VAL 107 Cb 0.09 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1eav s VAL 107 CO 0.75 -0.41 0.00 1.67 0.00 0.00 0.00 175.10 177.11 1eav n GLN 110 N 8.34 0.00 -0.05 2.72 7.27 -1.26 -4.53 117.38 129.86 1eav n GLN 110 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.40 1eav n GLN 110 Cb 0.46 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.07 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 0.28 0.00 3.69 4.39 -1.96 -2.94 114.58 118.04 1eav h GLU 111 Ca 0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1eav h GLU 111 Cb 0.00 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1eav h GLU 111 CO 0.00 0.27 -0.16 0.66 -1.16 0.00 0.00 179.01 178.62 1eav h SER 112 N 0.21 0.00 0.57 1.42 4.64 -1.94 0.23 113.55 118.69 1eav h SER 112 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1eav h SER 112 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1eav h SER 112 CO -0.01 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.29 1eav n LEU 113 N -3.79 0.00 0.09 5.97 4.77 -1.11 -1.57 117.00 121.36 1eav n LEU 113 Ca -0.02 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.49 1eav n LEU 113 Cb 0.26 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1eav n LEU 113 CO 0.32 -0.21 0.11 0.11 -1.33 0.00 0.00 177.39 176.38 1eav h LYS 114 N 0.00 0.00 0.02 3.23 1.57 -0.51 -3.33 116.57 117.55 1eav h LYS 114 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1eav h LYS 114 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1eav h LYS 114 CO 0.00 0.33 -0.29 0.82 -0.57 0.00 0.00 179.45 179.75 1eav h ILE 115 N 0.00 1.65 -2.29 1.86 2.04 -1.28 -3.48 117.51 116.01 1eav h ILE 115 Ca -0.07 -2.36 -0.07 0.00 1.00 0.00 0.00 64.86 63.36 1eav h ILE 115 Cb 1.41 3.23 -0.18 0.00 -0.74 0.00 0.00 36.82 40.54 1eav h ILE 115 CO 0.05 0.60 0.11 0.28 0.00 0.00 0.00 178.15 179.18 1eav s THR 116 N -2.27 0.01 0.25 -0.27 -1.32 -0.71 -5.03 115.64 106.31 1eav s THR 116 Ca -0.19 -0.10 0.33 0.00 -1.21 0.00 0.00 61.69 60.52 1eav s THR 116 Cb -0.01 -0.94 0.36 0.00 -1.51 0.00 0.00 72.50 70.40 1eav s THR 116 CO 0.70 -0.05 2.04 1.55 -2.21 0.00 0.00 174.62 176.65 1eav h PRO 117 N 3.05 0.00 0.00 7.08 0.14 -1.83 -2.38 132.00 138.05 1eav h PRO 117 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 1eav h PRO 117 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.30 1eav h PRO 117 CO 0.39 0.06 0.00 1.19 0.14 0.00 0.00 178.00 179.78 1eav n PHE 118 N -3.23 0.00 -0.03 1.56 3.01 -1.26 -4.52 117.46 112.99 1eav n PHE 118 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1eav n PHE 118 Cb 0.28 -0.45 -0.00 0.00 -0.01 0.00 0.00 39.48 39.30 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 -1.45 1.17 0.00 4.37 0.00 -0.89 -4.35 120.51 119.36 1eav n ALA 119 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1eav n ALA 119 Cb 0.12 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 3.71 0.00 -4.72 0.00 4.77 -1.26 -4.93 117.00 114.58 1eav n LEU 121 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1eav n LEU 121 Cb 0.02 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1eav n LEU 121 CO 0.34 0.00 0.99 -0.55 -1.33 0.00 0.00 177.39 176.84 1eav s SER 122 N 0.00 6.93 -0.50 -1.43 0.15 -1.26 -4.37 113.70 113.22 1eav s SER 122 Ca 0.00 2.21 0.02 0.00 0.70 0.00 0.00 55.95 58.88 1eav s SER 122 Cb 0.00 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.19 1eav s SER 122 CO 0.00 -0.58 1.69 0.54 1.20 0.00 0.00 173.24 176.10 1eav n ARG 123 N 3.89 2.92 -1.65 5.44 1.74 0.45 -4.98 116.66 124.47 1eav n ARG 123 Ca 0.10 -3.57 -0.43 0.00 -0.77 0.00 0.00 57.85 53.18 1eav n ARG 123 Cb 0.44 -2.24 -0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.87 1.98 -4.79 0.55 7.64 -1.26 -4.76 113.62 112.12 1eav n SER 124 Ca 0.54 1.15 -0.26 0.00 1.01 0.00 0.00 58.87 61.31 1eav n SER 124 Cb 0.85 -1.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.14 3.87 -0.13 -0.43 0.00 -1.26 -4.99 121.76 117.69 1eav s ALA 125 Ca 0.59 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 1eav s ALA 125 Cb -0.60 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.19 1eav s ALA 125 CO 0.60 -0.22 0.91 0.00 0.00 0.00 0.00 175.76 177.05 1eav s ALA 126 N -2.67 -1.89 0.00 0.00 0.00 -1.26 -1.84 121.76 114.11 1eav s ALA 126 Ca 0.36 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1eav s ALA 126 Cb 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1eav s ALA 126 CO 0.20 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1eav n GLY 127 N 0.77 -1.44 3.48 0.00 0.00 -0.47 -3.26 105.19 104.27 1eav n GLY 127 Ca -0.13 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.50 3.14 -0.12 -0.61 1.01 0.48 -0.68 121.20 121.92 1eav s ILE 128 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 1eav s ILE 128 Cb 0.00 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1eav s ILE 128 CO 0.00 0.59 -0.09 -0.60 0.00 0.00 0.00 174.94 174.83 1eav s ARG 129 N -0.65 1.71 7.15 2.79 3.52 0.98 0.11 118.95 134.57 1eav s ARG 129 Ca 0.10 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1eav s ARG 129 Cb -0.11 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.58 1eav s ARG 129 CO 0.01 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1eav n GLY 130 N 4.84 2.93 0.68 8.12 0.00 -1.26 -0.20 105.19 120.30 1eav n GLY 130 Ca -0.14 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 10.15 2.20 -4.56 1.61 3.41 -1.26 -4.98 113.62 120.19 1eav n SER 131 Ca 0.00 -3.66 -0.36 0.00 -0.26 0.00 0.00 58.87 54.60 1eav n SER 131 Cb 0.00 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 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 -3.15 4.67 -0.12 6.66 2.01 0.72 -4.71 115.64 121.72 1eav s THR 132 Ca 0.39 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.06 1eav s THR 132 Cb 0.36 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1eav s THR 132 CO -0.02 0.39 0.91 -0.22 -0.69 0.00 0.00 174.62 174.99 1eav s LEU 133 N 1.00 4.23 -0.13 4.42 2.96 -0.52 -0.01 118.68 130.63 1eav s LEU 133 Ca 0.04 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.31 1eav s LEU 133 Cb -0.14 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1eav s LEU 133 CO 0.03 -0.39 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.93 1eav s ILE 134 N 1.91 3.25 -0.08 6.68 1.01 0.14 -1.05 121.20 133.07 1eav s ILE 134 Ca 0.44 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 1eav s ILE 134 Cb -0.18 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1eav s ILE 134 CO 0.16 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 174.94 1eav s ILE 135 N 0.24 0.75 0.76 2.92 1.01 -0.65 -1.37 121.20 124.86 1eav s ILE 135 Ca -0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1eav s ILE 135 Cb -0.15 -0.79 0.08 0.00 0.01 0.00 0.00 42.46 41.61 1eav s ILE 135 CO 0.05 0.30 1.09 0.20 0.00 0.00 0.00 174.94 176.58 1eav s ASN 136 N 1.48 4.56 0.10 3.58 0.01 -0.77 -1.75 114.94 122.15 1eav s ASN 136 Ca -0.01 0.52 0.05 0.00 -0.71 0.00 0.00 52.86 52.71 1eav s ASN 136 Cb -0.13 -1.05 -0.04 0.00 0.41 0.00 0.00 41.25 40.43 1eav s ASN 136 CO -0.04 -1.80 -0.00 -2.84 -1.51 0.00 0.00 177.10 170.91 1eav s PRO 138 N -5.40 2.52 0.58 -0.60 0.02 -1.26 -4.71 135.00 126.15 1eav s PRO 138 Ca 0.62 -0.87 0.28 0.00 0.02 0.00 0.00 61.00 61.05 1eav s PRO 138 Cb -0.10 -2.52 1.55 0.00 0.02 0.00 0.00 34.50 33.45 1eav s PRO 138 CO 0.47 0.53 1.99 0.78 -0.33 0.00 0.00 177.00 180.44 1eav h GLY 139 N 3.35 0.00 -4.24 0.52 0.00 -1.87 -3.38 103.07 97.45 1eav h GLY 139 Ca -0.48 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.29 1eav h GLY 139 CO 0.59 0.00 0.59 0.70 0.00 0.00 0.00 176.54 178.42 1eav n ASN 140 N -3.80 2.98 0.17 0.19 3.02 -1.26 -4.58 115.26 111.97 1eav n ASN 140 Ca 0.05 1.20 0.10 0.00 -0.03 0.00 0.00 54.58 55.90 1eav n ASN 140 Cb 0.51 -1.50 0.62 0.00 -0.61 0.00 0.00 39.78 38.79 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 3.05 0.08 0.00 3.52 0.11 -1.88 -2.48 132.00 134.39 1eav h PRO 141 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1eav h PRO 141 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1eav h PRO 141 CO 0.66 0.05 -0.63 -0.91 -0.21 0.00 0.00 178.00 176.96 1eav h ASN 142 N 0.08 0.00 -0.33 -2.05 2.35 -1.95 -3.37 115.58 110.31 1eav h ASN 142 Ca 0.07 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1eav h ASN 142 Cb 0.19 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 1eav h ASN 142 CO -0.01 0.07 -0.24 0.00 -1.65 0.00 0.00 177.43 175.61 1eav h ALA 143 N 1.93 -0.05 -0.87 -0.83 0.00 -1.76 0.36 119.26 118.04 1eav h ALA 143 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1eav h ALA 143 Cb 1.06 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 1eav h ALA 143 CO 0.01 -0.63 0.57 0.28 0.00 0.00 0.00 179.25 179.47 1eav h VAL 144 N -0.20 1.11 -0.14 0.00 2.07 -1.72 0.16 116.25 117.53 1eav h VAL 144 Ca 0.17 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1eav h VAL 144 Cb 0.46 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1eav h VAL 144 CO -0.45 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.36 1eav h ALA 145 N 1.51 0.18 -0.43 1.67 0.00 -1.15 -3.07 119.26 117.97 1eav h ALA 145 Ca 0.36 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1eav h ALA 145 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1eav h ALA 145 CO -0.12 -0.17 -0.27 0.93 0.00 0.00 0.00 179.25 179.62 1eav h GLU 146 N 0.01 0.94 -0.51 0.00 5.08 -0.62 -1.90 114.58 117.58 1eav h GLU 146 Ca 0.04 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1eav h GLU 146 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1eav h GLU 146 CO 0.00 1.10 0.00 0.00 -1.00 0.00 0.00 179.01 179.11 1eav n GLU 149 N 0.55 0.00 0.02 0.00 2.13 -0.72 -2.05 120.64 120.57 1eav n GLU 149 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1eav n GLU 149 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.74 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 0.49 0.00 4.31 0.00 -1.75 -3.31 119.26 119.00 1eav h ALA 150 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 1eav h ALA 150 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1eav h ALA 150 CO 0.00 0.73 -1.33 -0.07 0.00 0.00 0.00 179.25 178.59 1eav h LEU 151 N 0.38 0.00 -2.19 0.00 3.38 -1.71 -3.41 115.31 111.75 1eav h LEU 151 Ca -0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1eav h LEU 151 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1eav h LEU 151 CO 0.14 0.67 0.15 0.25 0.09 0.00 0.00 178.44 179.74 1eav h LEU 152 N 0.00 0.00 -1.19 1.67 5.85 -1.84 0.82 115.31 120.62 1eav h LEU 152 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1eav h LEU 152 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 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 -1.80 -3.35 132.00 132.21 1eav h PRO 153 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1eav h PRO 153 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 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 -1.83 0.54 0.25 -0.75 0.00 0.24 -4.79 120.51 114.16 1eav n ALA 154 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1eav n ALA 154 Cb 0.16 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.28 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 0.55 0.00 5.85 -1.57 0.20 115.31 120.34 1eav h LEU 155 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1eav h LEU 155 Cb 0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.10 1eav h LEU 155 CO 0.00 0.12 -0.27 0.50 -0.34 0.00 0.00 178.44 178.45 1eav h LYS 156 N 0.00 -0.72 -0.96 1.25 3.64 -1.79 0.19 116.57 118.18 1eav h LYS 156 Ca -0.00 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 1eav h LYS 156 Cb 0.25 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 1eav h LYS 156 CO 0.02 -0.48 0.61 1.25 -2.27 0.00 0.00 179.45 178.57 1eav h HIS 157 N -0.92 0.99 -0.23 1.91 2.76 -1.80 -0.23 115.15 117.64 1eav h HIS 157 Ca -0.08 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1eav h HIS 157 Cb 0.57 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1eav h HIS 157 CO 0.05 0.36 -0.04 0.00 -1.30 0.00 0.00 177.93 177.00 1eav h ALA 158 N 1.58 0.17 -0.36 5.26 0.00 -0.21 -0.11 119.26 125.58 1eav h ALA 158 Ca 0.49 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.36 1eav h ALA 158 Cb 0.65 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1eav h ALA 158 CO -0.25 -0.46 -0.25 -0.07 0.00 0.00 0.00 179.25 178.22 1eav h LEU 159 N 0.02 0.74 -0.14 0.00 3.38 0.11 -2.97 115.31 116.45 1eav h LEU 159 Ca 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1eav h LEU 159 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1eav h LEU 159 CO -0.22 0.96 0.09 0.50 0.09 0.00 0.00 178.44 179.86 1eav h LYS 160 N 0.63 0.17 -0.00 1.13 3.64 -0.85 -2.56 116.57 118.73 1eav h LYS 160 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1eav h LYS 160 Cb 0.75 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1eav h LYS 160 CO 0.06 0.11 0.03 1.96 -2.27 0.00 0.00 179.45 179.34 1eav h GLN 161 N 0.18 0.00 -0.01 1.90 4.20 -0.87 -3.51 115.11 117.00 1eav h GLN 161 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1eav h GLN 161 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1eav h GLN 161 CO -0.02 0.00 0.00 -0.89 -0.67 0.00 0.00 178.83 177.25