#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 1.66 -0.07 1.61 -0.02 -1.26 -4.97 135.00 131.95 1eav n PRO 4 Ca 0.00 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1eav n PRO 4 Cb 0.00 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 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 3.95 0.00 -5.73 -0.52 4.81 -1.90 -3.45 114.58 111.74 1eav h GLU 5 Ca -0.44 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.19 1eav h GLU 5 Cb 1.30 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.59 1eav h GLU 5 CO 0.74 0.30 0.34 0.71 -0.73 0.00 0.00 179.01 180.37 1eav s TYR 6 N -2.05 3.33 -0.20 0.92 4.12 -0.71 -4.99 117.35 117.77 1eav s TYR 6 Ca -0.13 1.05 -0.21 0.00 0.02 0.00 0.00 57.07 57.80 1eav s TYR 6 Cb 0.01 -2.96 -0.02 0.00 -1.52 0.00 0.00 41.96 37.47 1eav s TYR 6 CO 0.28 -0.33 0.65 0.15 0.02 0.00 0.00 175.55 176.32 1eav s LYS 7 N 2.53 4.21 -0.00 -0.62 1.02 -1.26 -1.28 119.74 124.34 1eav s LYS 7 Ca 0.33 0.66 0.05 0.00 0.02 0.00 0.00 55.97 57.02 1eav s LYS 7 Cb -0.16 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1eav s LYS 7 CO 0.09 -0.27 -0.14 0.08 -0.92 0.00 0.00 175.35 174.19 1eav s VAL 8 N 2.00 3.12 -0.00 3.17 1.01 0.47 -1.90 120.40 128.27 1eav s VAL 8 Ca 0.30 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1eav s VAL 8 Cb -0.16 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 1eav s VAL 8 CO 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 1eav s ALA 9 N -0.88 0.38 -0.11 5.51 0.00 -0.28 -1.21 121.76 125.16 1eav s ALA 9 Ca 0.14 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1eav s ALA 9 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1eav s ALA 9 CO 0.04 0.09 -0.22 0.42 0.00 0.00 0.00 175.76 176.10 1eav s ILE 10 N -0.12 1.93 -0.22 0.00 1.01 -1.01 -1.21 121.20 121.59 1eav s ILE 10 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1eav s ILE 10 Cb -0.02 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1eav s ILE 10 CO -0.00 0.53 -0.06 -0.22 0.00 0.00 0.00 174.94 175.19 1eav s LEU 11 N 0.59 2.86 -0.11 2.97 2.96 -0.77 -1.63 118.68 125.55 1eav s LEU 11 Ca -0.13 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.15 1eav s LEU 11 Cb -0.17 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1eav s LEU 11 CO 0.04 -0.04 0.34 -0.89 -1.32 0.00 0.00 176.35 174.48 1eav s THR 12 N 1.44 5.23 -0.19 3.68 2.01 0.45 -1.48 115.64 126.78 1eav s THR 12 Ca 0.05 0.66 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 1eav s THR 12 Cb -0.14 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1eav s THR 12 CO -0.04 0.45 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 1eav s VAL 13 N -0.06 2.39 0.00 3.82 1.01 0.24 -1.28 120.40 126.52 1eav s VAL 13 Ca 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1eav s VAL 13 Cb -0.14 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1eav s VAL 13 CO 0.07 0.51 0.00 -0.24 0.00 0.00 0.00 175.10 175.44 1eav n SER 14 N 4.64 0.00 -0.27 3.32 2.88 0.06 -4.25 113.62 120.00 1eav n SER 14 Ca -0.20 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.42 1eav n SER 14 Cb 0.50 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.08 0.56 -3.46 3.32 -1.85 -0.82 116.42 114.24 1eav h ASP 15 Ca 0.00 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1eav h ASP 15 Cb 0.00 0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1eav h ASP 15 CO 0.00 -0.04 -0.27 0.74 -1.72 0.00 0.00 179.24 177.95 1eav h THR 16 N 0.29 0.44 -0.57 0.35 2.02 -1.96 -2.53 112.91 110.95 1eav h THR 16 Ca 0.46 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.52 1eav h THR 16 Cb 0.82 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1eav h THR 16 CO -0.53 0.01 0.19 0.58 0.37 0.00 0.00 175.52 176.14 1eav h VAL 17 N -0.80 1.24 0.00 3.16 2.07 -1.59 -2.08 116.25 118.24 1eav h VAL 17 Ca -0.08 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1eav h VAL 17 Cb 0.60 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1eav h VAL 17 CO 0.13 0.30 -0.06 -1.28 0.02 0.00 0.00 177.57 176.67 1eav h SER 18 N 0.80 0.00 0.15 0.57 0.87 -1.05 -0.92 113.55 113.97 1eav h SER 18 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1eav h SER 18 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1eav h SER 18 CO -0.01 0.06 -0.27 0.00 -0.53 0.00 0.00 176.83 176.09 1eav n ALA 19 N -2.27 3.11 -1.03 6.23 0.00 -0.97 -4.91 120.51 120.67 1eav n ALA 19 Ca -0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1eav n ALA 19 Cb 0.17 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.34 0.50 0.00 0.00 0.00 -0.35 -4.93 105.19 101.74 1eav n GLY 20 Ca 0.12 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 1.02 2.25 -3.67 4.61 0.00 -0.81 -4.93 120.51 118.98 1eav n ALA 21 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1eav n ALA 21 Cb 0.06 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.78 -0.35 0.51 0.00 0.00 -1.24 -4.97 107.32 98.49 1eav s GLY 22 Ca 0.19 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1eav s GLY 22 CO 0.43 0.45 0.70 -1.55 0.00 0.00 0.00 173.10 173.13 1eav n PRO 23 N -0.52 0.21 -3.87 2.90 -0.04 -1.26 -4.38 135.00 128.04 1eav n PRO 23 Ca -0.07 -2.03 -0.36 0.00 -0.04 0.00 0.00 63.50 61.00 1eav n PRO 23 Cb 0.62 -0.42 -0.13 0.00 -0.04 0.00 0.00 33.50 33.53 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 -3.88 5.01 0.00 3.54 3.68 -1.26 -4.80 116.67 118.96 1eav s ASP 24 Ca 0.47 -1.35 0.22 0.00 2.13 0.00 0.00 52.55 54.02 1eav s ASP 24 Cb -0.03 -1.75 -0.12 0.00 -1.45 0.00 0.00 42.92 39.57 1eav s ASP 24 CO 0.31 -0.31 0.92 0.54 0.13 0.00 0.00 175.17 176.76 1eav n ARG 25 N 4.65 0.14 -0.11 4.34 1.74 -1.26 -4.43 116.66 121.74 1eav n ARG 25 Ca -0.12 -0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 1eav n ARG 25 Cb 0.43 -1.52 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.68 1.38 -0.29 0.55 3.41 -1.26 -3.84 113.62 111.88 1eav n SER 26 Ca 0.03 -0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1eav n SER 26 Cb 0.38 0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 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 2.14 -2.69 0.24 5.00 0.00 -1.26 -1.73 105.19 106.89 1eav n GLY 27 Ca -0.36 0.99 0.02 0.00 0.00 0.00 0.00 46.02 46.67 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 0.24 -0.58 1.61 0.13 -1.78 0.08 132.00 131.69 1eav h PRO 28 Ca 0.11 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1eav h PRO 28 Cb 0.28 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 1eav h PRO 28 CO -0.65 0.37 0.21 0.00 -0.23 0.00 0.00 178.00 177.71 1eav h ARG 29 N 0.22 0.89 -0.73 0.86 2.47 -1.56 -2.16 114.38 114.37 1eav h ARG 29 Ca 0.05 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 1eav h ARG 29 Cb 0.37 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1eav h ARG 29 CO 0.02 0.78 0.35 0.00 0.56 0.00 0.00 179.97 181.68 1eav h ALA 30 N 1.07 0.95 -0.88 0.04 0.00 -0.24 0.32 119.26 120.52 1eav h ALA 30 Ca 0.19 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1eav h ALA 30 Cb 0.24 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1eav h ALA 30 CO -0.01 0.52 0.57 0.28 0.00 0.00 0.00 179.25 180.60 1eav h VAL 31 N 1.03 0.99 0.07 0.00 2.07 -0.74 -0.08 116.25 119.59 1eav h VAL 31 Ca 0.25 -0.31 -0.29 0.00 0.82 0.00 0.00 66.70 67.18 1eav h VAL 31 Cb 0.13 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1eav h VAL 31 CO -0.03 0.16 -1.49 0.77 0.02 0.00 0.00 177.57 177.00 1eav h SER 32 N 0.89 0.24 -0.79 0.57 4.64 -0.52 -1.67 113.55 116.90 1eav h SER 32 Ca 0.40 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1eav h SER 32 Cb 0.37 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1eav h SER 32 CO -0.16 1.30 0.48 0.58 -0.87 0.00 0.00 176.83 178.15 1eav h VAL 33 N 0.04 1.22 -0.13 0.95 2.07 -0.68 0.12 116.25 119.84 1eav h VAL 33 Ca -0.22 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1eav h VAL 33 Cb 1.97 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1eav h VAL 33 CO 0.14 0.24 0.08 0.58 0.02 0.00 0.00 177.57 178.62 1eav h VAL 34 N 1.09 1.06 0.18 2.57 2.07 -0.78 -1.86 116.25 120.57 1eav h VAL 34 Ca 0.28 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1eav h VAL 34 Cb -0.03 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1eav h VAL 34 CO -0.05 0.05 -0.17 0.44 0.02 0.00 0.00 177.57 177.87 1eav h ASP 35 N 0.15 -0.44 0.00 0.57 3.45 -0.95 -0.52 116.42 118.68 1eav h ASP 35 Ca 0.05 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1eav h ASP 35 Cb 0.02 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1eav h ASP 35 CO -0.01 -0.25 0.08 -0.24 -1.57 0.00 0.00 179.24 177.24 1eav n SER 36 N -5.29 0.12 -0.40 6.45 2.88 0.38 -0.98 113.62 116.77 1eav n SER 36 Ca -0.08 0.50 0.06 0.00 -1.33 0.00 0.00 58.87 58.02 1eav n SER 36 Cb 0.21 -0.50 0.03 0.00 -0.75 0.00 0.00 64.21 63.19 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 -1.62 1.75 -0.36 -3.46 7.64 -0.27 -4.69 113.62 112.61 1eav n SER 37 Ca -0.00 -1.37 0.02 0.00 1.01 0.00 0.00 58.87 58.52 1eav n SER 37 Cb 0.08 0.18 0.09 0.00 -1.01 0.00 0.00 64.21 63.55 1eav n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1eav n SER 38 N 0.34 -0.49 0.00 6.43 2.88 -0.16 -0.34 113.62 122.28 1eav n SER 38 Ca 0.06 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.28 1eav n SER 38 Cb 0.28 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1eav n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1eav n GLU 39 N -5.50 0.00 0.24 -1.46 2.13 -1.26 0.18 120.64 114.98 1eav n GLU 39 Ca 0.13 0.63 0.17 0.00 0.66 0.00 0.00 57.16 58.74 1eav n GLU 39 Cb 0.43 -1.46 0.79 0.00 0.27 0.00 0.00 31.44 31.47 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 -0.21 5.31 1.57 -1.70 1.48 116.57 123.02 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 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1eav n LEU 41 N -3.21 1.59 0.00 2.94 4.77 0.54 -4.68 117.00 118.96 1eav n LEU 41 Ca 0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1eav n LEU 41 Cb 0.47 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1eav n LEU 41 CO 0.19 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1eav n GLY 42 N 1.08 0.50 1.47 -0.72 0.00 0.51 -4.59 105.19 103.43 1eav n GLY 42 Ca 0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.77 -3.40 3.28 -0.02 0.00 0.49 -4.77 105.19 98.00 1eav n GLY 43 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.75 -0.06 4.61 0.00 -1.26 -1.74 121.76 122.45 1eav s ALA 44 Ca -0.03 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1eav s ALA 44 Cb 0.00 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.73 1eav s ALA 44 CO 0.07 -0.56 0.51 0.21 0.00 0.00 0.00 175.76 175.99 1eav s LYS 45 N -3.51 0.83 -0.33 0.00 2.20 -0.41 -4.60 119.74 113.92 1eav s LYS 45 Ca 0.01 0.16 -0.20 0.00 -0.36 0.00 0.00 55.97 55.58 1eav s LYS 45 Cb 0.02 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1eav s LYS 45 CO -0.10 -0.23 0.63 0.08 -0.36 0.00 0.00 175.35 175.37 1eav s VAL 46 N -1.00 4.92 -1.37 4.02 1.01 -1.26 -0.40 120.40 126.33 1eav s VAL 46 Ca -0.10 0.71 0.12 0.00 0.00 0.00 0.00 61.98 62.71 1eav s VAL 46 Cb -0.03 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1eav s VAL 46 CO 0.06 -0.22 0.97 1.33 0.00 0.00 0.00 175.10 177.24 1eav n VAL 47 N 5.48 0.23 -3.54 2.92 0.24 -0.35 -4.94 118.33 118.38 1eav n VAL 47 Ca -0.01 -0.62 -0.10 0.00 -2.04 0.00 0.00 64.34 61.57 1eav n VAL 47 Cb 0.49 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.99 -1.86 0.09 2.33 0.00 -1.24 -5.06 121.76 115.02 1eav s ALA 48 Ca 0.16 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.34 1eav s ALA 48 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1eav s ALA 48 CO 0.15 -0.48 0.20 0.95 0.00 0.00 0.00 175.76 176.58 1eav s THR 49 N -2.00 0.14 0.24 0.00 -4.23 -1.26 -2.41 115.64 106.11 1eav s THR 49 Ca 0.00 -1.18 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 1eav s THR 49 Cb -0.01 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1eav s THR 49 CO -0.02 -0.63 0.51 0.00 -0.54 0.00 0.00 174.62 173.94 1eav s ALA 50 N -3.87 -0.50 -0.03 3.99 0.00 -0.64 -4.96 121.76 115.75 1eav s ALA 50 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1eav s ALA 50 Cb 0.05 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.16 1eav s ALA 50 CO -0.10 -0.86 -0.09 0.08 0.00 0.00 0.00 175.76 174.78 1eav s VAL 51 N -3.97 0.85 0.11 0.00 1.01 -1.26 -0.41 120.40 116.72 1eav s VAL 51 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1eav s VAL 51 Cb -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1eav s VAL 51 CO 0.06 0.27 -0.07 0.68 0.00 0.00 0.00 175.10 176.04 1eav s VAL 52 N 0.32 0.78 1.02 2.92 -7.23 -0.40 -4.93 120.40 112.87 1eav s VAL 52 Ca -0.06 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 1eav s VAL 52 Cb -0.10 -1.72 0.20 0.00 0.56 0.00 0.00 36.38 35.32 1eav s VAL 52 CO 0.01 -0.84 1.19 -2.16 -0.31 0.00 0.00 175.10 172.98 1eav s PRO 53 N -3.82 0.24 -1.34 4.82 0.04 -1.26 -0.76 135.00 132.92 1eav s PRO 53 Ca 0.13 -0.05 -0.17 0.00 0.04 0.00 0.00 61.00 60.96 1eav s PRO 53 Cb 0.05 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.89 1eav s PRO 53 CO -0.04 -2.74 1.87 -0.25 0.04 0.00 0.00 177.00 175.88 1eav n ASP 54 N -4.08 4.65 -3.72 6.66 8.00 -1.26 -4.43 116.55 122.36 1eav n ASP 54 Ca 0.11 -2.90 -0.13 0.00 0.71 0.00 0.00 54.79 52.58 1eav n ASP 54 Cb 0.59 -1.72 -0.14 0.00 -0.02 0.00 0.00 41.12 39.84 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 3.87 0.14 0.25 -1.24 2.02 -1.26 -4.89 118.70 117.60 1eav s GLU 55 Ca 0.52 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 55.98 1eav s GLU 55 Cb 0.07 -0.15 0.43 0.00 0.10 0.00 0.00 34.13 34.58 1eav s GLU 55 CO 0.03 -0.19 1.82 -0.39 0.02 0.00 0.00 175.26 176.55 1eav h VAL 56 N 6.03 0.92 -0.79 2.63 -1.51 -1.89 -1.05 116.25 120.59 1eav h VAL 56 Ca -0.36 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 1eav h VAL 56 Cb 1.14 -0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 1eav h VAL 56 CO 0.35 0.16 0.42 -0.33 -1.23 0.00 0.00 177.57 176.94 1eav h GLU 57 N 0.86 1.11 -0.58 5.19 4.39 -1.98 0.82 114.58 124.39 1eav h GLU 57 Ca 0.42 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 1eav h GLU 57 Cb 0.38 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1eav h GLU 57 CO -0.25 0.83 0.11 0.00 -1.16 0.00 0.00 179.01 178.54 1eav h ARG 58 N 1.10 0.95 -0.15 2.33 2.47 -1.56 -1.48 114.38 118.04 1eav h ARG 58 Ca 0.28 -0.25 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1eav h ARG 58 Cb 0.05 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1eav h ARG 58 CO -0.04 0.90 -0.33 0.82 0.56 0.00 0.00 179.97 181.87 1eav h ILE 59 N 0.86 1.36 -0.32 2.04 2.04 -0.76 -3.04 117.51 119.68 1eav h ILE 59 Ca 0.18 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.51 1eav h ILE 59 Cb 0.39 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 1eav h ILE 59 CO 0.01 0.48 -0.31 0.11 0.00 0.00 0.00 178.15 178.44 1eav h LYS 60 N 0.13 -0.27 -0.47 2.37 1.57 0.73 -1.36 116.57 119.27 1eav h LYS 60 Ca 0.00 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1eav h LYS 60 Cb 0.94 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.21 1eav h LYS 60 CO 0.07 -0.18 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.20 1eav h ASP 61 N -0.28 -0.49 -0.53 0.86 3.32 -1.21 0.25 116.42 118.34 1eav h ASP 61 Ca 0.15 0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1eav h ASP 61 Cb 0.52 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1eav h ASP 61 CO -0.47 -0.17 0.32 0.40 -1.72 0.00 0.00 179.24 177.59 1eav h ILE 62 N -0.02 1.05 -0.43 0.35 1.08 -1.19 -0.40 117.51 117.95 1eav h ILE 62 Ca 0.23 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1eav h ILE 62 Cb 0.37 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1eav h ILE 62 CO -0.50 0.11 0.25 -0.07 -0.69 0.00 0.00 178.15 177.26 1eav h LEU 63 N 0.63 0.51 0.34 1.44 3.38 -0.15 0.94 115.31 122.40 1eav h LEU 63 Ca 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1eav h LEU 63 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1eav h LEU 63 CO -0.10 0.40 -0.16 1.56 0.09 0.00 0.00 178.44 180.23 1eav h GLN 64 N 0.59 -0.44 -0.58 1.13 4.20 0.43 -2.66 115.11 117.79 1eav h GLN 64 Ca 0.16 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.01 1eav h GLN 64 Cb -0.01 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.78 1eav h GLN 64 CO -0.03 -0.12 0.04 -0.22 -0.67 0.00 0.00 178.83 177.83 1eav h LYS 65 N -0.94 0.15 0.00 1.46 3.64 -0.70 1.11 116.57 121.29 1eav h LYS 65 Ca -0.05 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1eav h LYS 65 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1eav h LYS 65 CO 0.08 0.10 -0.48 -1.49 -2.27 0.00 0.00 179.45 175.39 1eav h TRP 66 N 0.16 0.00 0.00 1.91 6.55 -0.87 0.13 115.95 123.82 1eav h TRP 66 Ca 0.30 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.97 1eav h TRP 66 Cb 0.47 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.75 1eav h TRP 66 CO -0.32 0.48 -0.99 0.77 -1.05 0.00 0.00 178.44 177.33 1eav h SER 67 N 0.00 0.00 1.19 -3.49 0.02 -0.97 -2.41 113.55 107.89 1eav h SER 67 Ca -0.00 -0.49 -0.12 0.00 -0.84 0.00 0.00 61.79 60.33 1eav h SER 67 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1eav h SER 67 CO 0.06 1.32 -0.85 0.44 -1.14 0.00 0.00 176.83 176.67 1eav h ASP 68 N -1.00 0.00 0.00 3.07 3.32 0.13 -3.28 116.42 118.66 1eav h ASP 68 Ca -0.26 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.57 1eav h ASP 68 Cb 1.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1eav h ASP 68 CO -0.16 0.51 -1.75 0.52 -1.72 0.00 0.00 179.24 176.65 1eav n VAL 69 N -3.09 0.74 0.81 -1.35 0.31 0.36 -4.62 118.33 111.49 1eav n VAL 69 Ca -0.02 -0.22 0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1eav n VAL 69 Cb 0.77 -1.46 0.34 0.00 -0.91 0.00 0.00 33.84 32.58 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 -3.38 0.50 -1.37 4.52 8.00 -0.64 -5.02 116.55 119.16 1eav n ASP 70 Ca -0.25 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1eav n ASP 70 Cb 0.70 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.81 -2.46 0.00 -1.24 1.02 -0.91 -4.98 120.64 110.27 1eav n GLU 71 Ca 0.05 1.84 0.00 0.00 -0.02 0.00 0.00 57.16 59.03 1eav n GLU 71 Cb 0.38 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 -1.17 3.58 -3.71 1.62 8.00 -0.80 -4.96 116.55 119.12 1eav n ASP 73 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1eav n ASP 73 Cb 0.04 0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 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 -3.85 0.42 -0.14 0.64 2.96 -0.94 -1.23 118.68 116.54 1eav s LEU 74 Ca 0.00 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1eav s LEU 74 Cb 0.00 0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.75 1eav s LEU 74 CO 0.00 -0.20 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.98 1eav s ILE 75 N 1.76 2.04 -0.07 6.68 1.01 -0.33 -1.13 121.20 131.16 1eav s ILE 75 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1eav s ILE 75 Cb -0.12 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1eav s ILE 75 CO -0.04 0.55 -0.03 -0.76 0.00 0.00 0.00 174.94 174.66 1eav s LEU 76 N 0.78 3.40 0.09 2.97 1.43 -0.35 -2.03 118.68 124.97 1eav s LEU 76 Ca -0.08 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1eav s LEU 76 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1eav s LEU 76 CO -0.01 0.37 -0.17 0.42 0.23 0.00 0.00 176.35 177.19 1eav s THR 77 N -0.87 2.92 -0.12 5.49 -4.23 -0.77 -1.85 115.64 116.21 1eav s THR 77 Ca 0.13 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1eav s THR 77 Cb -0.11 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1eav s THR 77 CO 0.02 0.16 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.37 1eav s LEU 78 N -1.97 1.62 0.00 4.79 1.43 -0.55 -4.59 118.68 119.41 1eav s LEU 78 Ca 0.18 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1eav s LEU 78 Cb -0.11 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1eav s LEU 78 CO 0.09 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1eav n GLY 79 N 4.46 1.33 2.14 -3.19 0.00 -1.26 -0.59 105.19 108.07 1eav n GLY 79 Ca -0.18 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 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 1.44 0.56 0.71 -0.02 0.00 -1.26 -4.70 105.19 101.92 1eav n GLY 80 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.28 0.17 -1.19 2.61 -2.24 -1.26 -0.73 114.28 108.36 1eav n THR 81 Ca -0.06 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1eav n THR 81 Cb 0.32 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.94 1.10 0.13 3.38 0.00 -1.26 -0.74 105.19 108.74 1eav n GLY 82 Ca 0.11 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.71 1.61 3.01 -1.26 -4.72 117.46 114.38 1eav n PHE 83 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1eav n PHE 83 Cb 0.00 -0.11 -0.01 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 -1.07 1.91 0.31 4.37 -1.04 -1.26 -4.86 114.28 112.64 1eav n THR 84 Ca 0.07 -0.48 0.19 0.00 -2.04 0.00 0.00 64.05 61.79 1eav n THR 84 Cb 0.36 -1.64 0.97 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 2.77 0.00 0.00 -2.82 0.11 -2.03 -0.30 132.00 129.73 1eav h PRO 85 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1eav h PRO 85 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1eav h PRO 85 CO 0.64 0.03 -0.11 0.00 -0.21 0.00 0.00 178.00 178.35 1eav h ARG 86 N 0.00 0.00 -6.03 1.05 2.47 -1.95 -3.43 114.38 106.48 1eav h ARG 86 Ca -0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1eav h ARG 86 Cb 0.20 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1eav h ARG 86 CO 0.00 0.00 1.34 -0.51 0.56 0.00 0.00 179.97 181.36 1eav s ASP 87 N -5.40 5.38 -0.12 7.04 1.01 -0.13 -4.79 116.67 119.67 1eav s ASP 87 Ca 0.08 0.53 0.15 0.00 0.71 0.00 0.00 52.55 54.01 1eav s ASP 87 Cb 0.09 -2.53 0.32 0.00 1.01 0.00 0.00 42.92 41.81 1eav s ASP 87 CO 0.65 -2.25 1.16 1.33 0.21 0.00 0.00 175.17 176.27 1eav n VAL 88 N 7.26 1.40 -0.04 -1.27 0.24 -0.98 -4.75 118.33 120.19 1eav n VAL 88 Ca 0.21 -2.08 -0.14 0.00 -2.04 0.00 0.00 64.34 60.29 1eav n VAL 88 Cb 0.51 0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.88 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 2.65 1.40 -0.44 3.34 2.02 -1.21 -1.84 112.91 118.84 1eav h THR 89 Ca -0.04 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.65 1eav h THR 89 Cb 1.22 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.77 1eav h THR 89 CO 0.02 0.41 0.12 -0.65 0.37 0.00 0.00 175.52 175.79 1eav h PRO 90 N -0.22 0.65 -0.02 6.66 0.11 -1.85 0.75 132.00 138.07 1eav h PRO 90 Ca 0.00 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1eav h PRO 90 Cb 0.74 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1eav h PRO 90 CO 0.04 0.58 -0.29 0.93 -0.21 0.00 0.00 178.00 179.05 1eav h GLU 91 N 0.63 0.03 -0.09 1.05 3.07 -1.76 -0.94 114.58 116.57 1eav h GLU 91 Ca 0.15 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.78 1eav h GLU 91 Cb 0.21 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1eav h GLU 91 CO -0.01 0.32 -0.78 0.00 -1.40 0.00 0.00 179.01 177.15 1eav h ALA 92 N 1.68 0.22 -0.77 3.43 0.00 0.12 -3.02 119.26 120.92 1eav h ALA 92 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1eav h ALA 92 Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1eav h ALA 92 CO 0.04 0.60 0.51 1.15 0.00 0.00 0.00 179.25 181.54 1eav h THR 93 N 0.37 1.18 0.00 0.00 2.02 -0.45 -2.63 112.91 113.40 1eav h THR 93 Ca -0.07 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1eav h THR 93 Cb 1.43 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1eav h THR 93 CO 0.16 0.19 -0.29 0.11 0.37 0.00 0.00 175.52 176.06 1eav h LYS 94 N 1.03 0.00 0.00 6.66 1.57 -1.12 0.43 116.57 125.14 1eav h LYS 94 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1eav h LYS 94 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1eav h LYS 94 CO -0.07 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 1eav n LYS 95 N -4.13 0.10 -0.00 3.15 5.02 -1.00 -3.84 118.16 117.46 1eav n LYS 95 Ca -0.02 0.34 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 1eav n LYS 95 Cb 0.34 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.88 0.00 -2.07 -0.18 0.24 0.07 -5.00 118.33 109.52 1eav n VAL 96 Ca 0.03 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 1eav n VAL 96 Cb 0.20 0.46 0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.19 3.76 -0.09 1.34 -4.36 -0.78 -4.78 121.20 114.10 1eav s ILE 97 Ca -0.01 0.38 0.05 0.00 -0.26 0.00 0.00 60.65 60.81 1eav s ILE 97 Cb 0.02 -3.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 1eav s ILE 97 CO 0.14 -0.66 -0.02 -0.62 0.24 0.00 0.00 174.94 174.02 1eav n GLU 98 N -2.82 1.70 -4.03 0.37 1.02 0.81 -4.96 120.64 112.74 1eav n GLU 98 Ca 0.06 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 1eav n GLU 98 Cb 0.57 -1.22 -0.17 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.14 0.48 3.49 0.52 -0.91 -4.97 118.95 116.49 1eav s ARG 99 Ca -0.08 -0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1eav s ARG 99 Cb 0.03 -1.22 -0.07 0.00 0.52 0.00 0.00 34.95 34.21 1eav s ARG 99 CO 0.31 -0.19 0.90 -1.21 0.02 0.00 0.00 175.30 175.14 1eav s GLU 100 N 1.44 3.86 -0.53 3.54 2.02 -1.26 0.10 118.70 127.86 1eav s GLU 100 Ca -0.02 0.74 0.07 0.00 0.02 0.00 0.00 54.97 55.79 1eav s GLU 100 Cb -0.13 -2.23 0.26 0.00 0.10 0.00 0.00 34.13 32.12 1eav s GLU 100 CO -0.04 -0.20 0.67 0.25 0.02 0.00 0.00 175.26 175.97 1eav n THR 101 N -1.55 1.11 0.30 3.63 -2.24 -1.23 -4.83 114.28 109.46 1eav n THR 101 Ca 0.05 -4.75 0.18 0.00 -2.27 0.00 0.00 64.05 57.26 1eav n THR 101 Cb 0.54 -1.92 0.89 0.00 -2.10 0.00 0.00 70.33 67.74 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 3.98 0.00 -0.37 -0.78 0.13 -1.94 -2.04 132.00 130.98 1eav h PRO 102 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1eav h PRO 102 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1eav h PRO 102 CO 0.68 0.00 0.25 0.78 -0.23 0.00 0.00 178.00 179.47 1eav h GLY 103 N 0.84 0.52 0.72 1.56 0.00 -1.99 0.78 103.07 105.51 1eav h GLY 103 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1eav h GLY 103 CO 0.00 0.19 0.56 1.41 0.00 0.00 0.00 176.54 178.70 1eav h LEU 104 N 0.50 0.88 -0.89 3.11 3.38 -1.80 0.66 115.31 121.15 1eav h LEU 104 Ca 0.14 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1eav h LEU 104 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1eav h LEU 104 CO -0.03 0.56 -0.50 -0.07 0.09 0.00 0.00 178.44 178.49 1eav h LEU 105 N 1.01 0.14 -0.31 1.67 3.38 -1.46 -2.54 115.31 117.21 1eav h LEU 105 Ca 0.39 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1eav h LEU 105 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1eav h LEU 105 CO -0.17 0.62 0.09 0.15 0.09 0.00 0.00 178.44 179.22 1eav h PHE 106 N 0.10 0.50 -0.35 1.13 3.57 0.69 -3.40 116.94 119.18 1eav h PHE 106 Ca 0.00 -0.05 -0.24 0.00 3.53 0.00 0.00 57.97 61.21 1eav h PHE 106 Cb 0.93 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1eav h PHE 106 CO 0.01 0.52 0.78 0.28 -2.23 0.00 0.00 178.31 177.67 1eav n VAL 107 N -4.68 1.38 0.00 1.41 0.31 0.07 -4.65 118.33 112.16 1eav n VAL 107 Ca -0.02 -1.43 0.00 0.00 -0.01 0.00 0.00 64.34 62.88 1eav n VAL 107 Cb 0.17 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 8.22 0.00 -0.22 5.55 7.27 -1.26 -4.58 117.38 132.36 1eav n GLN 110 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.47 1eav n GLN 110 Cb 0.47 0.00 0.07 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 0.73 0.00 3.69 4.39 -1.96 -2.11 114.58 119.33 1eav h GLU 111 Ca 0.00 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1eav h GLU 111 Cb 0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1eav h GLU 111 CO 0.00 0.48 -0.33 0.66 -1.16 0.00 0.00 179.01 178.67 1eav h SER 112 N 0.75 0.00 0.48 1.42 4.64 -1.94 0.27 113.55 119.18 1eav h SER 112 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1eav h SER 112 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1eav h SER 112 CO -0.12 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.35 1eav n LEU 113 N -3.47 0.28 0.07 5.97 4.77 -0.80 -1.37 117.00 122.44 1eav n LEU 113 Ca -0.00 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1eav n LEU 113 Cb 0.49 -0.55 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 1eav n LEU 113 CO 0.36 -0.44 0.71 0.29 -1.33 0.00 0.00 177.39 176.97 1eav n LYS 114 N -1.82 0.23 -0.04 3.23 5.02 0.95 -3.83 118.16 121.90 1eav n LYS 114 Ca 0.02 0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 56.24 1eav n LYS 114 Cb 0.16 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.32 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 -2.09 1.69 -3.48 -0.18 5.41 -0.47 -4.99 119.36 115.24 1eav n ILE 115 Ca 0.05 -0.48 -0.15 0.00 1.00 0.00 0.00 62.75 63.17 1eav n ILE 115 Cb 0.42 -1.80 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.50 0.00 0.28 1.39 -1.32 -0.94 -5.03 115.64 107.51 1eav s THR 116 Ca -0.26 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.49 1eav s THR 116 Cb 0.07 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.34 1eav s THR 116 CO 0.70 0.00 1.96 -0.65 -2.21 0.00 0.00 174.62 174.42 1eav h PRO 117 N 2.56 0.00 0.00 7.08 0.11 -1.85 -3.02 132.00 136.89 1eav h PRO 117 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1eav h PRO 117 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1eav h PRO 117 CO 0.38 0.16 0.00 1.19 -0.21 0.00 0.00 178.00 179.52 1eav n PHE 118 N -3.48 0.33 -0.01 0.65 3.01 -1.26 -4.55 117.46 112.16 1eav n PHE 118 Ca -0.01 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1eav n PHE 118 Cb 0.32 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 -1.62 0.97 0.00 4.37 0.00 -1.14 -4.37 120.51 118.72 1eav n ALA 119 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1eav n ALA 119 Cb 0.08 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 3.75 0.00 -4.75 0.00 4.77 -1.26 -4.92 117.00 114.59 1eav n LEU 121 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1eav n LEU 121 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1eav n LEU 121 CO 0.34 0.00 1.03 -0.55 -1.33 0.00 0.00 177.39 176.88 1eav s SER 122 N 0.00 6.78 -0.31 -1.43 0.15 -1.26 -4.36 113.70 113.27 1eav s SER 122 Ca 0.00 2.57 0.08 0.00 0.70 0.00 0.00 55.95 59.30 1eav s SER 122 Cb 0.00 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 62.17 1eav s SER 122 CO 0.00 -0.59 1.44 0.54 1.20 0.00 0.00 173.24 175.83 1eav n ARG 123 N 2.05 2.10 -1.59 5.44 1.74 0.08 -5.01 116.66 121.47 1eav n ARG 123 Ca 0.05 -3.35 -0.45 0.00 -0.77 0.00 0.00 57.85 53.32 1eav n ARG 123 Cb 0.42 -1.89 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.06 1.43 -4.76 0.55 7.64 -1.26 -4.73 113.62 111.42 1eav n SER 124 Ca 0.35 1.17 -0.24 0.00 1.01 0.00 0.00 58.87 61.17 1eav n SER 124 Cb 0.97 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.79 3.66 0.10 -0.43 0.00 -1.26 -4.98 121.76 118.06 1eav s ALA 125 Ca 0.62 -2.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.32 1eav s ALA 125 Cb -0.73 -0.58 0.08 0.00 0.00 0.00 0.00 23.12 21.89 1eav s ALA 125 CO 0.57 -0.14 0.70 0.00 0.00 0.00 0.00 175.76 176.90 1eav s ALA 126 N -2.54 -1.68 0.00 0.00 0.00 -1.26 -1.06 121.76 115.22 1eav s ALA 126 Ca 0.42 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1eav s ALA 126 Cb 0.01 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1eav s ALA 126 CO 0.24 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1eav n GLY 127 N -0.32 -0.44 3.80 0.00 0.00 0.21 -3.56 105.19 104.89 1eav n GLY 127 Ca -0.14 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 5.05 -0.08 -0.61 1.01 0.11 -0.65 121.20 124.04 1eav s ILE 128 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1eav s ILE 128 Cb 0.00 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1eav s ILE 128 CO 0.00 0.61 -0.08 -0.60 0.00 0.00 0.00 174.94 174.87 1eav s ARG 129 N -0.91 1.37 5.85 2.79 3.52 0.56 -0.13 118.95 131.99 1eav s ARG 129 Ca 0.14 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1eav s ARG 129 Cb -0.12 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 1eav s ARG 129 CO 0.03 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1eav n GLY 130 N 4.42 1.70 0.68 8.12 0.00 -1.26 0.09 105.19 118.93 1eav n GLY 130 Ca -0.18 0.39 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 11.13 1.61 -4.65 1.61 3.41 -1.26 -4.99 113.62 120.47 1eav n SER 131 Ca 0.00 -3.37 -0.37 0.00 -0.26 0.00 0.00 58.87 54.87 1eav n SER 131 Cb 0.00 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.48 5.35 -0.07 6.66 2.01 0.11 -4.67 115.64 122.55 1eav s THR 132 Ca 0.35 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 1eav s THR 132 Cb 0.35 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1eav s THR 132 CO -0.07 0.33 0.97 -0.22 -0.69 0.00 0.00 174.62 174.94 1eav s LEU 133 N 1.15 4.28 -0.10 4.42 2.96 -0.36 -0.32 118.68 130.71 1eav s LEU 133 Ca 0.07 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 1eav s LEU 133 Cb -0.14 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1eav s LEU 133 CO 0.05 -0.36 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.90 1eav s ILE 134 N 1.63 2.52 -0.08 6.68 1.01 0.18 -1.19 121.20 131.95 1eav s ILE 134 Ca 0.48 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1eav s ILE 134 Cb -0.19 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1eav s ILE 134 CO 0.21 0.55 -0.08 -0.63 0.00 0.00 0.00 174.94 174.99 1eav s ILE 135 N 0.13 0.95 0.79 2.92 1.01 -0.86 -0.61 121.20 125.52 1eav s ILE 135 Ca -0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1eav s ILE 135 Cb -0.16 -0.94 0.12 0.00 0.01 0.00 0.00 42.46 41.50 1eav s ILE 135 CO 0.06 0.33 1.11 0.20 0.00 0.00 0.00 174.94 176.65 1eav s ASN 136 N 1.24 4.18 0.12 3.58 0.01 -0.23 -1.85 114.94 122.00 1eav s ASN 136 Ca -0.04 0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.41 1eav s ASN 136 Cb -0.14 -0.63 -0.04 0.00 0.41 0.00 0.00 41.25 40.85 1eav s ASN 136 CO -0.03 -2.02 -0.05 -2.84 -1.51 0.00 0.00 177.10 170.66 1eav s PRO 138 N -5.44 2.30 0.54 -0.60 0.02 -1.26 -4.70 135.00 125.87 1eav s PRO 138 Ca 0.66 -1.01 0.27 0.00 0.02 0.00 0.00 61.00 60.94 1eav s PRO 138 Cb -0.07 -2.37 1.44 0.00 0.02 0.00 0.00 34.50 33.52 1eav s PRO 138 CO 0.47 0.50 1.97 0.78 -0.33 0.00 0.00 177.00 180.39 1eav h GLY 139 N 3.30 0.00 -4.16 0.52 0.00 -1.88 -3.38 103.07 97.47 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 0.56 0.00 0.61 0.70 0.00 0.00 0.00 176.54 178.41 1eav n ASN 140 N -4.22 3.12 0.24 0.19 3.02 -1.26 -4.62 115.26 111.74 1eav n ASN 140 Ca 0.11 1.21 0.07 0.00 -0.03 0.00 0.00 54.58 55.93 1eav n ASN 140 Cb 0.67 -1.53 0.57 0.00 -0.61 0.00 0.00 39.78 38.89 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 2.92 0.00 0.00 3.52 0.11 -1.88 -2.09 132.00 134.58 1eav h PRO 141 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1eav h PRO 141 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1eav h PRO 141 CO 0.65 0.09 -0.50 -0.91 -0.21 0.00 0.00 178.00 177.12 1eav h ASN 142 N 0.00 0.00 -0.45 -2.05 2.35 -1.96 -3.37 115.58 110.10 1eav h ASN 142 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1eav h ASN 142 Cb 0.16 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 1eav h ASN 142 CO 0.01 0.05 -0.00 0.00 -1.65 0.00 0.00 177.43 175.83 1eav h ALA 143 N 1.95 0.42 -0.13 -0.83 0.00 -1.70 0.06 119.26 119.03 1eav h ALA 143 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1eav h ALA 143 Cb 1.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1eav h ALA 143 CO 0.01 -0.39 -0.03 0.28 0.00 0.00 0.00 179.25 179.11 1eav h VAL 144 N 0.11 1.11 -0.09 0.00 2.07 -1.71 0.32 116.25 118.05 1eav h VAL 144 Ca 0.23 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1eav h VAL 144 Cb 0.33 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1eav h VAL 144 CO -0.38 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.28 1eav h ALA 145 N 1.79 0.12 -0.41 1.67 0.00 -1.20 -3.22 119.26 118.02 1eav h ALA 145 Ca 0.04 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1eav h ALA 145 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1eav h ALA 145 CO 0.01 -0.07 -0.19 0.93 0.00 0.00 0.00 179.25 179.92 1eav h GLU 146 N -0.21 0.85 -1.11 0.00 5.08 -1.17 -2.15 114.58 115.88 1eav h GLU 146 Ca 0.02 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1eav h GLU 146 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1eav h GLU 146 CO 0.02 1.01 0.00 0.00 -1.00 0.00 0.00 179.01 179.04 1eav n GLU 149 N 0.69 0.00 0.10 0.00 2.13 -0.81 -2.44 120.64 120.30 1eav n GLU 149 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1eav n GLU 149 Cb 0.07 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.88 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 0.79 0.01 4.31 0.00 -1.74 -3.32 119.26 119.30 1eav h ALA 150 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 54.91 53.98 1eav h ALA 150 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1eav h ALA 150 CO 0.00 0.80 -2.00 1.28 0.00 0.00 0.00 179.25 179.33 1eav n LEU 151 N -3.79 0.69 -0.37 0.00 4.77 -1.02 -4.52 117.00 112.77 1eav n LEU 151 Ca -0.02 0.23 0.28 0.00 -0.03 0.00 0.00 56.01 56.47 1eav n LEU 151 Cb 0.67 0.20 0.55 0.00 -2.33 0.00 0.00 43.42 42.52 1eav n LEU 151 CO 0.45 0.47 1.21 0.25 -1.33 0.00 0.00 177.39 178.44 1eav h LEU 152 N 0.00 0.38 -2.49 2.23 5.85 -1.85 0.58 115.31 120.01 1eav h LEU 152 Ca -0.40 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1eav h LEU 152 Cb 2.10 0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.20 1eav h LEU 152 CO 0.06 -0.03 0.00 -0.65 -0.34 0.00 0.00 178.44 177.48 1eav h PRO 153 N 0.28 0.00 0.00 5.25 0.11 -1.79 -3.28 132.00 132.56 1eav h PRO 153 Ca 0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.80 1eav h PRO 153 Cb 1.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.00 1eav h PRO 153 CO -0.37 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.42 1eav n ALA 154 N -2.00 0.55 0.29 -0.75 0.00 0.14 -4.78 120.51 113.95 1eav n ALA 154 Ca -0.02 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.55 1eav n ALA 154 Cb 0.08 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.41 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 0.33 0.00 5.85 -1.46 0.10 115.31 120.14 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 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1eav h LEU 155 CO 0.00 0.03 -0.16 0.50 -0.34 0.00 0.00 178.44 178.47 1eav h LYS 156 N 0.00 -0.43 -0.94 1.25 3.64 -1.83 0.73 116.57 118.98 1eav h LYS 156 Ca -0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1eav h LYS 156 Cb 0.09 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1eav h LYS 156 CO 0.00 -0.12 0.61 1.25 -2.27 0.00 0.00 179.45 178.92 1eav h HIS 157 N -0.97 1.09 -0.26 1.91 2.76 -1.78 -0.79 115.15 117.11 1eav h HIS 157 Ca -0.05 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1eav h HIS 157 Cb 0.51 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 1eav h HIS 157 CO 0.03 0.55 -0.08 0.00 -1.30 0.00 0.00 177.93 177.13 1eav h ALA 158 N 1.50 0.15 -0.14 5.26 0.00 -0.55 0.57 119.26 126.05 1eav h ALA 158 Ca 0.42 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.28 1eav h ALA 158 Cb 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1eav h ALA 158 CO -0.17 -0.49 -0.55 -0.07 0.00 0.00 0.00 179.25 177.97 1eav h LEU 159 N -0.03 0.47 -0.43 0.00 3.38 0.50 -2.76 115.31 116.45 1eav h LEU 159 Ca 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1eav h LEU 159 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1eav h LEU 159 CO -0.28 0.93 0.16 0.50 0.09 0.00 0.00 178.44 179.83 1eav h LYS 160 N 0.33 0.66 -0.06 1.13 3.64 -0.75 -2.65 116.57 118.86 1eav h LYS 160 Ca 0.01 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1eav h LYS 160 Cb 1.07 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1eav h LYS 160 CO 0.10 0.62 0.06 1.96 -2.27 0.00 0.00 179.45 179.92 1eav h GLN 161 N 0.55 0.00 -0.00 1.90 4.20 -0.60 -3.51 115.11 117.64 1eav h GLN 161 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1eav h GLN 161 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1eav h GLN 161 CO -0.01 0.00 0.00 -0.89 -0.67 0.00 0.00 178.83 177.26