#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 1.76 -0.06 1.61 -0.02 -1.26 -4.96 135.00 132.07 1eav n PRO 4 Ca 0.00 0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1eav n PRO 4 Cb 0.00 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.13 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 4.82 0.00 -5.39 -0.52 4.81 -1.90 -3.43 114.58 112.96 1eav h GLU 5 Ca -0.45 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.15 1eav h GLU 5 Cb 1.29 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.54 1eav h GLU 5 CO 0.80 0.29 0.05 0.71 -0.73 0.00 0.00 179.01 180.13 1eav s TYR 6 N -1.80 3.22 -0.27 0.92 4.12 -0.75 -5.02 117.35 117.77 1eav s TYR 6 Ca -0.07 0.52 -0.24 0.00 0.02 0.00 0.00 57.07 57.30 1eav s TYR 6 Cb -0.00 -2.88 -0.00 0.00 -1.52 0.00 0.00 41.96 37.55 1eav s TYR 6 CO 0.21 -0.42 0.81 0.15 0.02 0.00 0.00 175.55 176.32 1eav s LYS 7 N 2.46 4.08 -0.08 -0.62 1.02 -1.26 -1.17 119.74 124.16 1eav s LYS 7 Ca 0.22 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.98 1eav s LYS 7 Cb -0.15 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1eav s LYS 7 CO 0.11 -0.60 -0.06 0.08 -0.92 0.00 0.00 175.35 173.96 1eav s VAL 8 N 2.91 3.73 -0.02 3.17 1.01 -0.45 -1.08 120.40 129.67 1eav s VAL 8 Ca 0.34 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1eav s VAL 8 Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1eav s VAL 8 CO 0.10 0.59 -0.14 0.00 0.00 0.00 0.00 175.10 175.65 1eav s ALA 9 N -0.66 1.17 -0.18 5.51 0.00 0.26 -1.48 121.76 126.39 1eav s ALA 9 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1eav s ALA 9 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1eav s ALA 9 CO 0.02 0.26 -0.10 0.42 0.00 0.00 0.00 175.76 176.35 1eav s ILE 10 N -0.16 3.03 -0.24 0.00 1.01 -0.21 -1.52 121.20 123.10 1eav s ILE 10 Ca 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1eav s ILE 10 Cb -0.07 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1eav s ILE 10 CO 0.00 0.48 -0.02 -0.22 0.00 0.00 0.00 174.94 175.18 1eav s LEU 11 N 1.01 3.16 -0.15 2.97 2.96 -0.38 -1.23 118.68 127.02 1eav s LEU 11 Ca -0.01 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1eav s LEU 11 Cb -0.15 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1eav s LEU 11 CO -0.01 -0.07 0.26 -0.89 -1.32 0.00 0.00 176.35 174.31 1eav s THR 12 N 1.46 5.32 -0.21 3.68 2.01 0.12 -1.26 115.64 126.76 1eav s THR 12 Ca 0.04 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 1eav s THR 12 Cb -0.15 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1eav s THR 12 CO -0.02 0.44 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.62 1eav s VAL 13 N 0.13 3.47 0.00 3.82 1.01 0.86 -2.01 120.40 127.68 1eav s VAL 13 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1eav s VAL 13 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1eav s VAL 13 CO 0.04 0.43 0.00 -0.24 0.00 0.00 0.00 175.10 175.33 1eav n SER 14 N 4.60 0.00 -0.30 3.32 2.88 -0.17 -4.35 113.62 119.60 1eav n SER 14 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1eav n SER 14 Cb 0.51 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.19 -3.46 3.32 -1.83 -0.89 116.42 113.92 1eav h ASP 15 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1eav h ASP 15 Cb 0.00 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1eav h ASP 15 CO 0.00 -0.10 -0.09 0.74 -1.72 0.00 0.00 179.24 178.06 1eav h THR 16 N 0.28 0.86 -0.43 0.35 2.02 -1.95 -2.40 112.91 111.64 1eav h THR 16 Ca 0.57 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.42 1eav h THR 16 Cb 1.16 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1eav h THR 16 CO -0.61 0.05 -0.10 0.58 0.37 0.00 0.00 175.52 175.82 1eav h VAL 17 N -0.38 1.27 -0.10 3.16 2.07 -1.65 -1.82 116.25 118.80 1eav h VAL 17 Ca -0.03 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1eav h VAL 17 Cb 0.29 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1eav h VAL 17 CO 0.04 0.41 0.07 -1.28 0.02 0.00 0.00 177.57 176.83 1eav h SER 18 N 0.65 0.06 0.52 0.57 0.87 -1.17 -0.55 113.55 114.51 1eav h SER 18 Ca 0.11 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1eav h SER 18 Cb 0.63 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1eav h SER 18 CO 0.04 0.05 -0.27 0.00 -0.53 0.00 0.00 176.83 176.12 1eav n ALA 19 N -2.54 3.04 -0.88 6.23 0.00 -0.91 -4.90 120.51 120.55 1eav n ALA 19 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1eav n ALA 19 Cb 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.42 0.74 0.00 0.00 0.00 -0.21 -4.91 105.19 102.23 1eav n GLY 20 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 0.65 2.07 -3.84 4.61 0.00 -0.70 -4.88 120.51 118.41 1eav n ALA 21 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1eav n ALA 21 Cb 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.46 -0.12 0.55 0.00 0.00 -1.22 -4.97 107.32 99.11 1eav s GLY 22 Ca 0.21 0.06 0.09 0.00 0.00 0.00 0.00 44.72 45.08 1eav s GLY 22 CO 0.28 2.61 0.74 2.56 0.00 0.00 0.00 173.10 179.28 1eav s PRO 23 N -2.31 2.38 -0.30 2.90 0.04 -1.26 -4.43 135.00 132.01 1eav s PRO 23 Ca 0.21 -1.61 -0.07 0.00 0.04 0.00 0.00 61.00 59.57 1eav s PRO 23 Cb -0.00 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.92 1eav s PRO 23 CO 0.01 -0.76 0.09 0.34 0.04 0.00 0.00 177.00 176.72 1eav s ASP 24 N -4.60 5.18 -0.00 6.66 3.68 -1.26 -4.82 116.67 121.51 1eav s ASP 24 Ca 0.59 -0.71 0.16 0.00 2.13 0.00 0.00 52.55 54.72 1eav s ASP 24 Cb -0.06 -1.89 -0.19 0.00 -1.45 0.00 0.00 42.92 39.33 1eav s ASP 24 CO 0.37 -0.20 0.60 0.54 0.13 0.00 0.00 175.17 176.62 1eav n ARG 25 N 4.88 1.52 -0.10 4.34 1.74 -1.26 -4.51 116.66 123.28 1eav n ARG 25 Ca -0.14 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.70 1eav n ARG 25 Cb 0.48 -1.27 -0.12 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.52 2.00 -0.35 0.55 3.41 -1.26 -3.96 113.62 112.49 1eav n SER 26 Ca 0.02 0.05 -0.06 0.00 -0.26 0.00 0.00 58.87 58.62 1eav n SER 26 Cb 0.28 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.13 -0.33 2.00 5.00 0.00 -1.93 0.12 103.07 109.06 1eav h GLY 27 Ca -0.55 0.62 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1eav h GLY 27 CO -0.11 -0.12 -0.35 -0.56 0.00 0.00 0.00 176.54 175.41 1eav h PRO 28 N -0.05 0.00 -0.36 4.80 0.13 -1.80 0.70 132.00 135.41 1eav h PRO 28 Ca 0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1eav h PRO 28 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1eav h PRO 28 CO -0.90 0.35 -0.17 0.00 -0.23 0.00 0.00 178.00 177.05 1eav h ARG 29 N 0.00 0.75 0.09 0.86 2.47 -0.99 -2.48 114.38 115.08 1eav h ARG 29 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1eav h ARG 29 Cb 0.70 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1eav h ARG 29 CO 0.05 0.94 -0.09 0.00 0.56 0.00 0.00 179.97 181.42 1eav h ALA 30 N 0.79 -0.17 -0.80 0.04 0.00 0.35 0.61 119.26 120.09 1eav h ALA 30 Ca 0.08 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1eav h ALA 30 Cb 0.71 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1eav h ALA 30 CO 0.05 -0.61 0.26 0.28 0.00 0.00 0.00 179.25 179.23 1eav h VAL 31 N -0.20 0.51 -0.01 0.00 2.07 -0.91 0.80 116.25 118.51 1eav h VAL 31 Ca 0.01 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1eav h VAL 31 Cb 0.19 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1eav h VAL 31 CO -0.03 0.06 -0.75 -1.28 0.02 0.00 0.00 177.57 175.59 1eav h SER 32 N 0.33 0.12 -0.82 0.57 0.87 -0.64 -1.70 113.55 112.27 1eav h SER 32 Ca 0.47 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1eav h SER 32 Cb 0.82 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1eav h SER 32 CO -0.51 0.82 0.36 0.58 -0.53 0.00 0.00 176.83 177.55 1eav h VAL 33 N 0.06 1.26 0.60 2.23 2.07 0.12 0.16 116.25 122.74 1eav h VAL 33 Ca -0.02 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1eav h VAL 33 Cb 1.32 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1eav h VAL 33 CO 0.11 0.32 -0.29 0.58 0.02 0.00 0.00 177.57 178.31 1eav h VAL 34 N 1.18 0.38 -0.50 2.57 2.07 -0.33 -0.85 116.25 120.76 1eav h VAL 34 Ca 0.28 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1eav h VAL 34 Cb 0.16 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1eav h VAL 34 CO -0.03 0.02 0.07 0.44 0.02 0.00 0.00 177.57 178.09 1eav h ASP 35 N -0.90 -0.06 0.18 0.57 3.45 -1.28 0.56 116.42 118.94 1eav h ASP 35 Ca -0.08 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1eav h ASP 35 Cb 0.65 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1eav h ASP 35 CO 0.13 -0.00 0.00 -0.24 -1.57 0.00 0.00 179.24 177.56 1eav n SER 36 N -5.15 0.10 -0.29 6.45 2.88 0.04 -1.87 113.62 115.77 1eav n SER 36 Ca 0.06 0.54 0.07 0.00 -1.33 0.00 0.00 58.87 58.20 1eav n SER 36 Cb 0.26 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.16 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 1.42 -0.34 -3.46 7.64 0.18 -4.70 113.62 112.74 1eav n SER 37 Ca 0.01 -1.21 0.06 0.00 1.01 0.00 0.00 58.87 58.74 1eav n SER 37 Cb 0.06 0.51 0.14 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.25 -0.33 0.03 6.43 2.88 -0.27 0.59 113.62 122.69 1eav n SER 38 Ca 0.06 1.64 -0.01 0.00 -1.33 0.00 0.00 58.87 59.22 1eav n SER 38 Cb 0.29 -0.50 -0.01 0.00 -0.75 0.00 0.00 64.21 63.24 1eav n SER 38 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1eav h GLU 39 N 0.00 -0.07 -0.95 -1.46 4.81 -1.84 2.67 114.58 117.75 1eav h GLU 39 Ca 0.46 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.97 1eav h GLU 39 Cb 0.72 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1eav h GLU 39 CO -0.98 -0.05 0.84 0.87 -0.73 0.00 0.00 179.01 178.97 1eav h LYS 40 N -0.07 0.00 -0.10 1.92 1.57 -1.70 0.93 116.57 119.11 1eav h LYS 40 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1eav h LYS 40 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1eav h LYS 40 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1eav n LEU 41 N -3.80 0.86 0.00 2.94 4.77 0.20 -4.65 117.00 117.32 1eav n LEU 41 Ca 0.20 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1eav n LEU 41 Cb 1.16 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1eav n LEU 41 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1eav n GLY 42 N 0.92 0.61 0.82 -0.72 0.00 0.32 -4.61 105.19 102.52 1eav n GLY 42 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.58 3.11 -0.02 0.00 0.89 -4.80 105.19 100.03 1eav n GLY 43 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.62 -0.11 4.61 0.00 -1.21 -1.81 121.76 123.86 1eav s ALA 44 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.50 1eav s ALA 44 Cb 0.00 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1eav s ALA 44 CO 0.00 -0.37 0.46 0.21 0.00 0.00 0.00 175.76 176.06 1eav s LYS 45 N -3.93 0.68 -0.20 0.00 2.20 -0.32 -4.63 119.74 113.54 1eav s LYS 45 Ca 0.10 0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 55.80 1eav s LYS 45 Cb 0.08 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1eav s LYS 45 CO -0.07 -0.15 0.81 0.08 -0.36 0.00 0.00 175.35 175.66 1eav s VAL 46 N -0.49 4.88 -0.72 4.02 1.01 -1.26 -1.34 120.40 126.49 1eav s VAL 46 Ca -0.06 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.54 1eav s VAL 46 Cb -0.03 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1eav s VAL 46 CO 0.03 -0.01 0.65 1.33 0.00 0.00 0.00 175.10 177.10 1eav n VAL 47 N 4.95 0.00 -3.58 2.92 0.24 -0.55 -4.94 118.33 117.37 1eav n VAL 47 Ca 0.04 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.72 1eav n VAL 47 Cb 0.48 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.63 -1.84 0.07 2.33 0.00 -1.21 -5.04 121.76 115.44 1eav s ALA 48 Ca 0.07 1.67 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1eav s ALA 48 Cb 0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1eav s ALA 48 CO 0.09 -0.32 -0.05 0.95 0.00 0.00 0.00 175.76 176.43 1eav s THR 49 N -0.49 0.45 0.15 0.00 -4.23 -1.26 -1.04 115.64 109.22 1eav s THR 49 Ca -0.03 -1.67 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1eav s THR 49 Cb -0.02 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.50 1eav s THR 49 CO 0.03 -0.81 0.40 0.00 -0.54 0.00 0.00 174.62 173.70 1eav s ALA 50 N -3.20 -0.73 -0.03 3.99 0.00 -0.37 -4.95 121.76 116.47 1eav s ALA 50 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1eav s ALA 50 Cb 0.03 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1eav s ALA 50 CO -0.06 -0.68 -0.18 0.08 0.00 0.00 0.00 175.76 174.92 1eav s VAL 51 N -3.85 1.50 0.04 0.00 1.01 -1.26 0.12 120.40 117.95 1eav s VAL 51 Ca 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1eav s VAL 51 Cb 0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1eav s VAL 51 CO -0.07 0.43 0.00 0.68 0.00 0.00 0.00 175.10 176.14 1eav s VAL 52 N -0.17 0.16 1.14 2.92 -7.23 -0.85 -4.94 120.40 111.43 1eav s VAL 52 Ca 0.01 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1eav s VAL 52 Cb -0.10 -0.97 0.26 0.00 0.56 0.00 0.00 36.38 36.14 1eav s VAL 52 CO 0.01 -0.74 1.16 -2.16 -0.31 0.00 0.00 175.10 173.05 1eav s PRO 53 N -2.82 -0.75 -1.14 4.82 0.04 -1.26 -1.00 135.00 132.88 1eav s PRO 53 Ca -0.03 -0.12 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 1eav s PRO 53 Cb 0.00 -1.66 0.12 0.00 0.04 0.00 0.00 34.50 33.00 1eav s PRO 53 CO -0.06 -3.39 1.45 -0.51 0.04 0.00 0.00 177.00 174.53 1eav s ASP 54 N -4.10 6.83 -0.17 6.66 1.01 -1.26 -4.31 116.67 121.32 1eav s ASP 54 Ca 0.71 -2.40 -0.07 0.00 0.71 0.00 0.00 52.55 51.50 1eav s ASP 54 Cb -0.09 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.44 1eav s ASP 54 CO 0.55 -1.05 0.38 -1.61 0.21 0.00 0.00 175.17 173.66 1eav s GLU 55 N 3.04 0.31 0.24 8.23 2.02 -1.26 -4.87 118.70 126.41 1eav s GLU 55 Ca 0.44 0.87 -0.05 0.00 0.02 0.00 0.00 54.97 56.25 1eav s GLU 55 Cb -0.01 0.12 0.43 0.00 0.10 0.00 0.00 34.13 34.77 1eav s GLU 55 CO -0.02 -0.22 1.72 -0.39 0.02 0.00 0.00 175.26 176.38 1eav h VAL 56 N 5.95 0.64 -0.22 2.63 -1.51 -1.90 -2.23 116.25 119.62 1eav h VAL 56 Ca -0.25 -0.13 0.01 0.00 -1.23 0.00 0.00 66.70 65.10 1eav h VAL 56 Cb 1.14 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1eav h VAL 56 CO 0.20 0.07 0.11 -0.33 -1.23 0.00 0.00 177.57 176.39 1eav h GLU 57 N 0.39 0.22 -0.15 5.19 4.39 -1.98 1.05 114.58 123.69 1eav h GLU 57 Ca 0.39 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 1eav h GLU 57 Cb 0.60 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1eav h GLU 57 CO -0.41 0.15 -0.06 0.00 -1.16 0.00 0.00 179.01 177.52 1eav h ARG 58 N 0.23 0.22 0.01 2.33 2.47 -1.80 -0.67 114.38 117.17 1eav h ARG 58 Ca 0.09 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.64 1eav h ARG 58 Cb 0.02 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1eav h ARG 58 CO -0.06 0.30 -0.50 0.82 0.56 0.00 0.00 179.97 181.09 1eav h ILE 59 N 0.22 1.48 -0.20 2.04 2.04 -0.42 -3.21 117.51 119.45 1eav h ILE 59 Ca 0.05 -2.07 0.03 0.00 1.00 0.00 0.00 64.86 63.86 1eav h ILE 59 Cb 0.25 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 1eav h ILE 59 CO 0.01 0.59 -0.38 0.11 0.00 0.00 0.00 178.15 178.48 1eav h LYS 60 N -0.26 -0.32 -0.72 2.37 1.57 0.13 -1.85 116.57 117.50 1eav h LYS 60 Ca -0.06 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1eav h LYS 60 Cb 1.24 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.50 1eav h LYS 60 CO 0.10 -0.21 0.02 -0.44 -0.57 0.00 0.00 179.45 178.35 1eav h ASP 61 N -0.33 -0.30 -0.48 0.86 3.32 -1.24 0.27 116.42 118.52 1eav h ASP 61 Ca 0.04 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1eav h ASP 61 Cb 0.44 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1eav h ASP 61 CO -0.37 -0.15 0.22 0.40 -1.72 0.00 0.00 179.24 177.62 1eav h ILE 62 N 0.12 1.20 -0.99 0.35 1.08 -1.38 0.51 117.51 118.39 1eav h ILE 62 Ca 0.39 -0.57 0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1eav h ILE 62 Cb 0.67 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1eav h ILE 62 CO -0.62 0.22 0.65 -0.07 -0.69 0.00 0.00 178.15 177.64 1eav h LEU 63 N 0.63 1.09 0.01 1.44 3.38 0.17 0.48 115.31 122.51 1eav h LEU 63 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1eav h LEU 63 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1eav h LEU 63 CO -0.02 0.74 -0.01 1.56 0.09 0.00 0.00 178.44 180.81 1eav h GLN 64 N 1.26 -0.02 -0.69 1.13 4.20 0.60 -2.20 115.11 119.39 1eav h GLN 64 Ca 0.40 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.04 1eav h GLN 64 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1eav h GLN 64 CO -0.12 0.43 0.18 -0.22 -0.67 0.00 0.00 178.83 178.43 1eav h LYS 65 N -0.46 1.10 0.00 1.46 3.64 0.38 0.49 116.57 123.18 1eav h LYS 65 Ca -0.00 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1eav h LYS 65 Cb 0.45 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1eav h LYS 65 CO 0.00 0.97 -0.41 -1.49 -2.27 0.00 0.00 179.45 176.25 1eav h TRP 66 N 1.03 0.00 0.05 1.91 6.55 -0.89 -1.45 115.95 123.15 1eav h TRP 66 Ca 0.22 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.92 1eav h TRP 66 Cb 0.35 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1eav h TRP 66 CO 0.03 0.41 -0.70 0.77 -1.05 0.00 0.00 178.44 177.90 1eav h SER 67 N 0.00 0.17 0.66 -3.49 0.02 -1.04 -1.79 113.55 108.07 1eav h SER 67 Ca -0.00 -0.86 -0.27 0.00 -0.84 0.00 0.00 61.79 59.82 1eav h SER 67 Cb 1.11 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1eav h SER 67 CO 0.05 1.30 -1.29 0.44 -1.14 0.00 0.00 176.83 176.20 1eav h ASP 68 N -0.74 0.30 0.00 3.07 3.32 -0.02 -3.28 116.42 119.07 1eav h ASP 68 Ca -0.16 -0.35 -0.24 0.00 0.02 0.00 0.00 57.03 56.30 1eav h ASP 68 Cb 1.34 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1eav h ASP 68 CO -0.00 1.28 -1.73 0.52 -1.72 0.00 0.00 179.24 177.59 1eav n VAL 69 N -3.45 0.97 0.59 -1.35 0.31 -0.58 -4.59 118.33 110.22 1eav n VAL 69 Ca -0.09 -0.16 0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1eav n VAL 69 Cb 1.01 -1.77 0.36 0.00 -0.91 0.00 0.00 33.84 32.54 1eav n VAL 69 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1eav h ASP 70 N -0.59 0.00 -2.98 4.52 3.32 -1.58 -3.50 116.42 115.62 1eav h ASP 70 Ca -0.36 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1eav h ASP 70 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1eav h ASP 70 CO -0.22 0.01 -0.49 -0.62 -1.72 0.00 0.00 179.24 176.20 1eav n GLU 71 N -2.32 -2.33 0.00 3.56 1.02 -0.67 -4.99 120.64 114.91 1eav n GLU 71 Ca 0.05 1.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.95 1eav n GLU 71 Cb 0.44 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 -1.43 3.61 -3.66 1.62 8.00 -0.24 -4.99 116.55 119.47 1eav n ASP 73 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1eav n ASP 73 Cb 0.09 0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.01 -0.17 -0.17 0.64 2.96 -0.95 -1.71 118.68 116.27 1eav s LEU 74 Ca 0.00 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1eav s LEU 74 Cb 0.00 0.45 0.01 0.00 0.50 0.00 0.00 46.19 47.15 1eav s LEU 74 CO 0.00 -0.25 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.00 1eav s ILE 75 N 2.35 2.51 -0.20 6.68 1.01 -0.23 -0.57 121.20 132.74 1eav s ILE 75 Ca 0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1eav s ILE 75 Cb -0.12 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1eav s ILE 75 CO -0.07 0.51 0.06 -0.76 0.00 0.00 0.00 174.94 174.68 1eav s LEU 76 N 1.10 3.70 0.13 2.97 1.43 -0.58 -2.11 118.68 125.32 1eav s LEU 76 Ca 0.00 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1eav s LEU 76 Cb -0.14 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1eav s LEU 76 CO -0.05 0.13 0.21 0.42 0.23 0.00 0.00 176.35 177.28 1eav s THR 77 N 0.66 5.03 -0.08 5.49 -4.23 -0.63 -1.25 115.64 120.62 1eav s THR 77 Ca 0.03 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1eav s THR 77 Cb -0.13 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1eav s THR 77 CO 0.02 -0.03 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.24 1eav s LEU 78 N -2.97 1.24 0.00 4.79 1.43 -0.39 -4.54 118.68 118.24 1eav s LEU 78 Ca 0.33 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1eav s LEU 78 Cb -0.11 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1eav s LEU 78 CO 0.26 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1eav n GLY 79 N 4.52 1.02 2.06 -3.19 0.00 -1.26 -0.10 105.19 108.24 1eav n GLY 79 Ca -0.17 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 1.00 0.41 0.69 -0.02 0.00 -1.26 -4.65 105.19 101.36 1eav n GLY 80 Ca 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.50 1.35 -1.79 2.61 -2.24 -1.26 -0.07 114.28 109.37 1eav n THR 81 Ca -0.03 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1eav n THR 81 Cb 0.32 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.21 1.58 0.02 3.38 0.00 -1.26 0.04 105.19 109.16 1eav n GLY 82 Ca 0.14 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.05 0.15 -1.59 1.61 3.01 -1.26 -4.76 117.46 114.57 1eav n PHE 83 Ca 0.00 0.04 -0.38 0.00 1.01 0.00 0.00 57.45 58.12 1eav n PHE 83 Cb 0.00 -0.31 0.05 0.00 -0.01 0.00 0.00 39.48 39.21 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 -1.73 3.38 0.16 4.37 -1.04 -1.26 -4.87 114.28 113.28 1eav n THR 84 Ca 0.04 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 1eav n THR 84 Cb 0.38 -1.08 0.40 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.54 0.13 0.00 -2.82 0.11 -2.04 -2.47 132.00 125.45 1eav h PRO 85 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1eav h PRO 85 Cb 1.37 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1eav h PRO 85 CO 0.51 0.34 -0.38 0.00 -0.21 0.00 0.00 178.00 178.26 1eav h ARG 86 N 0.12 0.00 -5.82 1.05 2.47 -1.94 -3.42 114.38 106.84 1eav h ARG 86 Ca 0.02 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.21 1eav h ARG 86 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1eav h ARG 86 CO 0.03 0.38 1.55 -0.51 0.56 0.00 0.00 179.97 181.98 1eav s ASP 87 N -6.42 4.98 -0.08 7.04 1.01 -0.93 -4.71 116.67 117.56 1eav s ASP 87 Ca 0.01 1.47 0.11 0.00 0.71 0.00 0.00 52.55 54.85 1eav s ASP 87 Cb 0.11 -2.51 0.19 0.00 1.01 0.00 0.00 42.92 41.72 1eav s ASP 87 CO 0.69 -2.40 1.10 1.33 0.21 0.00 0.00 175.17 176.10 1eav n VAL 88 N 7.86 1.07 -0.20 -1.27 0.24 -1.12 -4.82 118.33 120.10 1eav n VAL 88 Ca 0.33 -1.38 -0.08 0.00 -2.04 0.00 0.00 64.34 61.17 1eav n VAL 88 Cb 0.50 0.12 0.06 0.00 -1.47 0.00 0.00 33.84 33.04 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 3.19 1.26 -0.29 3.34 2.02 -0.75 -1.42 112.91 120.26 1eav h THR 89 Ca -0.01 -1.11 -0.11 0.00 0.77 0.00 0.00 66.41 65.95 1eav h THR 89 Cb 1.21 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1eav h THR 89 CO 0.01 0.40 -0.23 -0.65 0.37 0.00 0.00 175.52 175.41 1eav h PRO 90 N 0.95 0.67 -0.93 6.66 0.11 -1.85 0.53 132.00 138.15 1eav h PRO 90 Ca 0.18 -0.33 0.12 0.00 0.11 0.00 0.00 66.00 66.07 1eav h PRO 90 Cb 0.52 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.56 1eav h PRO 90 CO 0.03 0.94 0.59 0.93 -0.21 0.00 0.00 178.00 180.27 1eav h GLU 91 N 0.41 0.84 -0.21 1.05 3.07 -1.84 0.02 114.58 117.92 1eav h GLU 91 Ca 0.05 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1eav h GLU 91 Cb 0.79 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1eav h GLU 91 CO 0.06 0.55 -0.47 0.00 -1.40 0.00 0.00 179.01 177.75 1eav h ALA 92 N 1.56 0.34 -0.71 3.43 0.00 -0.15 -2.42 119.26 121.32 1eav h ALA 92 Ca 0.45 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1eav h ALA 92 Cb 0.53 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1eav h ALA 92 CO -0.21 0.50 0.47 1.15 0.00 0.00 0.00 179.25 181.15 1eav h THR 93 N 0.39 1.16 -0.43 0.00 2.02 -0.11 -2.95 112.91 113.00 1eav h THR 93 Ca 0.00 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1eav h THR 93 Cb 1.08 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1eav h THR 93 CO 0.10 0.17 0.02 0.11 0.37 0.00 0.00 175.52 176.30 1eav h LYS 94 N 0.94 0.68 0.00 6.66 1.57 -0.51 0.93 116.57 126.84 1eav h LYS 94 Ca 0.27 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1eav h LYS 94 Cb -0.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1eav h LYS 94 CO -0.06 0.68 0.00 1.63 -0.57 0.00 0.00 179.45 181.13 1eav n LYS 95 N -4.25 0.06 0.00 3.15 5.02 -1.11 -3.75 118.16 117.27 1eav n LYS 95 Ca 0.02 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1eav n LYS 95 Cb 0.26 -1.64 0.00 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 -1.76 0.00 -1.51 -0.18 0.24 0.28 -5.00 118.33 110.40 1eav n VAL 96 Ca 0.01 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 1eav n VAL 96 Cb 0.11 0.66 0.09 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.53 3.20 -0.03 1.34 -4.36 -0.96 -4.76 121.20 114.09 1eav s ILE 97 Ca 0.00 0.39 0.02 0.00 -0.26 0.00 0.00 60.65 60.80 1eav s ILE 97 Cb 0.00 -3.10 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 1eav s ILE 97 CO 0.00 -0.51 0.01 -0.62 0.24 0.00 0.00 174.94 174.06 1eav n GLU 98 N -3.43 3.30 -3.81 0.37 1.02 0.59 -4.96 120.64 113.72 1eav n GLU 98 Ca 0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 1eav n GLU 98 Cb 0.56 -1.07 -0.17 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.07 0.86 0.70 3.49 0.52 -0.51 -4.97 118.95 116.98 1eav s ARG 99 Ca -0.02 -0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 1eav s ARG 99 Cb 0.01 -1.21 0.01 0.00 0.52 0.00 0.00 34.95 34.28 1eav s ARG 99 CO 0.12 -0.31 1.08 -1.21 0.02 0.00 0.00 175.30 175.00 1eav s GLU 100 N 1.89 2.89 -0.38 3.54 2.02 -1.26 -0.55 118.70 126.84 1eav s GLU 100 Ca 0.05 0.55 0.10 0.00 0.02 0.00 0.00 54.97 55.68 1eav s GLU 100 Cb -0.13 -2.02 0.30 0.00 0.10 0.00 0.00 34.13 32.38 1eav s GLU 100 CO -0.06 -1.03 0.63 0.25 0.02 0.00 0.00 175.26 175.06 1eav n THR 101 N -3.02 -0.44 0.30 3.63 -2.24 -1.19 -4.81 114.28 106.51 1eav n THR 101 Ca 0.07 -4.21 0.19 0.00 -2.27 0.00 0.00 64.05 57.83 1eav n THR 101 Cb 0.56 -1.09 0.93 0.00 -2.10 0.00 0.00 70.33 68.63 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 3.53 0.00 -0.33 -0.78 0.13 -1.95 -0.74 132.00 131.87 1eav h PRO 102 Ca 0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1eav h PRO 102 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1eav h PRO 102 CO 0.47 0.03 0.11 0.78 -0.23 0.00 0.00 178.00 179.16 1eav h GLY 103 N 0.88 0.49 1.52 1.56 0.00 -1.98 0.40 103.07 105.94 1eav h GLY 103 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1eav h GLY 103 CO 0.00 0.22 -0.05 1.41 0.00 0.00 0.00 176.54 178.13 1eav h LEU 104 N 0.46 0.57 -0.51 3.11 3.38 -1.56 0.24 115.31 120.99 1eav h LEU 104 Ca 0.11 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1eav h LEU 104 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1eav h LEU 104 CO -0.01 0.67 -0.42 -0.07 0.09 0.00 0.00 178.44 178.70 1eav h LEU 105 N 0.56 0.79 -0.20 1.67 3.38 -0.90 -2.82 115.31 117.81 1eav h LEU 105 Ca 0.11 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1eav h LEU 105 Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1eav h LEU 105 CO 0.02 1.11 0.07 0.15 0.09 0.00 0.00 178.44 179.87 1eav h PHE 106 N 0.60 0.31 -0.24 1.13 3.57 0.57 -3.41 116.94 119.47 1eav h PHE 106 Ca 0.04 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 1eav h PHE 106 Cb 0.97 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1eav h PHE 106 CO 0.05 0.38 0.48 0.28 -2.23 0.00 0.00 178.31 177.27 1eav n VAL 107 N -4.81 0.82 0.00 1.41 0.31 0.75 -4.63 118.33 112.18 1eav n VAL 107 Ca -0.04 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 1eav n VAL 107 Cb 0.14 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 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 8.19 0.00 -0.02 5.55 7.27 -1.26 -4.61 117.38 132.50 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 0.47 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.08 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 0.11 0.00 3.69 4.39 -1.97 -1.73 114.58 119.08 1eav h GLU 111 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1eav h GLU 111 Cb 0.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1eav h GLU 111 CO 0.00 0.07 -0.06 0.66 -1.16 0.00 0.00 179.01 178.52 1eav h SER 112 N 0.11 0.00 0.63 1.42 4.64 -1.94 -0.72 113.55 117.69 1eav h SER 112 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1eav h SER 112 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1eav h SER 112 CO -0.08 0.06 -0.20 -0.07 -0.87 0.00 0.00 176.83 175.67 1eav h LEU 113 N 0.00 0.00 -0.17 5.97 3.38 -1.50 -1.79 115.31 121.19 1eav h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eav h LEU 113 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1eav h LEU 113 CO 0.01 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.03 1eav n LYS 114 N -3.55 0.13 -0.10 1.13 5.02 -0.28 -2.97 118.16 117.53 1eav n LYS 114 Ca -0.01 0.22 -0.23 0.00 -2.02 0.00 0.00 58.31 56.27 1eav n LYS 114 Cb 0.35 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.91 1.57 -3.51 -0.18 5.41 -0.71 -5.01 119.36 115.02 1eav n ILE 115 Ca 0.05 -0.43 -0.18 0.00 1.00 0.00 0.00 62.75 63.19 1eav n ILE 115 Cb 0.31 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 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 -2.49 0.00 0.35 1.39 -1.32 -0.99 -5.03 115.64 107.55 1eav s THR 116 Ca -0.32 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.41 1eav s THR 116 Cb 0.10 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.34 1eav s THR 116 CO 0.60 0.00 1.99 -0.65 -2.21 0.00 0.00 174.62 174.36 1eav h PRO 117 N 2.94 0.00 0.00 7.08 0.11 -1.85 -2.05 132.00 138.23 1eav h PRO 117 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1eav h PRO 117 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1eav h PRO 117 CO 0.39 0.17 0.00 1.19 -0.21 0.00 0.00 178.00 179.54 1eav n PHE 118 N -3.64 0.00 -0.19 0.65 3.01 -1.26 -4.39 117.46 111.64 1eav n PHE 118 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 1eav n PHE 118 Cb 0.30 -0.22 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.22 2.00 0.00 4.37 0.00 -0.77 -4.45 120.51 120.45 1eav n ALA 119 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1eav n ALA 119 Cb 0.04 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.03 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 3.87 0.00 -4.75 0.00 4.77 -1.26 -4.93 117.00 114.71 1eav n LEU 121 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1eav n LEU 121 Cb 0.09 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1eav n LEU 121 CO 0.40 0.00 0.80 -0.55 -1.33 0.00 0.00 177.39 176.71 1eav s SER 122 N 0.00 7.24 -0.34 -1.43 0.15 -1.26 -4.41 113.70 113.65 1eav s SER 122 Ca 0.00 2.18 0.06 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 -0.21 1.37 0.54 1.20 0.00 0.00 173.24 176.14 1eav n ARG 123 N 1.90 3.00 -1.60 5.44 1.74 0.11 -5.01 116.66 122.25 1eav n ARG 123 Ca 0.01 -3.80 -0.36 0.00 -0.77 0.00 0.00 57.85 52.93 1eav n ARG 123 Cb 0.45 -2.15 0.08 0.00 -1.02 0.00 0.00 32.46 29.83 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 -0.85 1.84 -4.44 0.55 7.64 -1.26 -4.71 113.62 112.39 1eav n SER 124 Ca 0.43 0.78 -0.21 0.00 1.01 0.00 0.00 58.87 60.87 1eav n SER 124 Cb 0.90 -1.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.54 2.36 -0.12 -0.43 0.00 -1.26 -4.99 121.76 115.78 1eav s ALA 125 Ca 0.81 -1.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1eav s ALA 125 Cb -0.36 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.20 1eav s ALA 125 CO 0.42 -0.16 0.75 0.00 0.00 0.00 0.00 175.76 176.78 1eav s ALA 126 N -3.11 -1.81 0.00 0.00 0.00 -1.26 -1.20 121.76 114.38 1eav s ALA 126 Ca 0.32 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1eav s ALA 126 Cb 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1eav s ALA 126 CO 0.13 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1eav n GLY 127 N 1.26 -1.26 3.61 0.00 0.00 -0.08 -3.16 105.19 105.57 1eav n GLY 127 Ca -0.16 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.92 3.76 -0.12 -0.61 1.01 0.28 -1.09 121.20 121.52 1eav s ILE 128 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1eav s ILE 128 Cb 0.00 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.89 1eav s ILE 128 CO 0.00 0.43 0.11 -0.60 0.00 0.00 0.00 174.94 174.88 1eav s ARG 129 N -1.34 0.03 7.68 2.79 3.52 -0.12 -0.30 118.95 131.21 1eav s ARG 129 Ca 0.17 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1eav s ARG 129 Cb -0.11 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 1eav s ARG 129 CO 0.07 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1eav n GLY 130 N 5.30 2.80 0.88 8.12 0.00 -1.26 -1.68 105.19 119.35 1eav n GLY 130 Ca -0.05 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 8.13 2.14 -4.32 1.61 3.41 -1.26 -5.00 113.62 118.33 1eav n SER 131 Ca 0.00 -3.81 -0.34 0.00 -0.26 0.00 0.00 58.87 54.46 1eav n SER 131 Cb 0.00 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.22 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 -3.23 3.06 -0.22 6.66 2.01 -0.68 -4.68 115.64 118.57 1eav s THR 132 Ca 0.41 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 1eav s THR 132 Cb 0.39 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1eav s THR 132 CO -0.03 0.49 0.80 -0.22 -0.69 0.00 0.00 174.62 174.97 1eav s LEU 133 N 0.90 4.11 -0.12 4.42 2.96 -0.69 -0.95 118.68 129.31 1eav s LEU 133 Ca -0.02 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1eav s LEU 133 Cb -0.15 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.38 1eav s LEU 133 CO -0.00 -0.45 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.78 1eav s ILE 134 N 2.52 2.68 -0.06 6.68 1.01 -0.25 -1.07 121.20 132.70 1eav s ILE 134 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1eav s ILE 134 Cb -0.16 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1eav s ILE 134 CO 0.09 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 174.89 1eav s ILE 135 N 0.42 0.65 0.72 2.92 1.01 -0.90 -0.90 121.20 125.13 1eav s ILE 135 Ca -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1eav s ILE 135 Cb -0.16 -0.70 0.11 0.00 0.01 0.00 0.00 42.46 41.71 1eav s ILE 135 CO 0.06 0.27 1.01 0.20 0.00 0.00 0.00 174.94 176.48 1eav s ASN 136 N 1.27 4.45 0.02 3.58 0.01 -0.34 -1.61 114.94 122.31 1eav s ASN 136 Ca -0.05 -0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 1eav s ASN 136 Cb -0.14 -0.47 -0.03 0.00 0.41 0.00 0.00 41.25 41.02 1eav s ASN 136 CO -0.02 -1.80 -0.07 -2.84 -1.51 0.00 0.00 177.10 170.86 1eav s PRO 138 N -5.21 2.50 0.64 -0.60 0.02 -1.26 -4.66 135.00 126.43 1eav s PRO 138 Ca 0.64 -0.76 0.31 0.00 0.02 0.00 0.00 61.00 61.20 1eav s PRO 138 Cb -0.07 -2.48 1.66 0.00 0.02 0.00 0.00 34.50 33.62 1eav s PRO 138 CO 0.45 0.59 1.98 0.78 -0.33 0.00 0.00 177.00 180.46 1eav h GLY 139 N 4.35 0.00 -4.18 0.52 0.00 -1.88 -3.39 103.07 98.49 1eav h GLY 139 Ca -0.48 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.30 1eav h GLY 139 CO 0.54 0.00 0.71 0.70 0.00 0.00 0.00 176.54 178.49 1eav n ASN 140 N -3.25 3.42 0.16 0.19 3.02 -1.26 -4.68 115.26 112.86 1eav n ASN 140 Ca 0.01 1.19 0.08 0.00 -0.03 0.00 0.00 54.58 55.84 1eav n ASN 140 Cb 0.42 -1.56 0.59 0.00 -0.61 0.00 0.00 39.78 38.62 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 3.40 0.14 0.00 3.52 0.11 -1.86 -2.15 132.00 135.17 1eav h PRO 141 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1eav h PRO 141 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1eav h PRO 141 CO 0.68 0.09 -0.68 -0.91 -0.21 0.00 0.00 178.00 176.98 1eav h ASN 142 N 0.14 0.00 -0.37 -2.05 2.35 -1.95 -3.37 115.58 110.33 1eav h ASN 142 Ca 0.07 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1eav h ASN 142 Cb 0.09 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.38 1eav h ASN 142 CO -0.01 0.24 -0.35 0.00 -1.65 0.00 0.00 177.43 175.66 1eav h ALA 143 N 1.76 -0.26 -0.22 -0.83 0.00 -1.69 0.15 119.26 118.16 1eav h ALA 143 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1eav h ALA 143 Cb 1.22 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1eav h ALA 143 CO 0.03 -0.77 0.13 0.28 0.00 0.00 0.00 179.25 178.92 1eav h VAL 144 N -0.29 1.07 -0.23 0.00 2.07 -1.73 -0.04 116.25 117.10 1eav h VAL 144 Ca 0.16 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1eav h VAL 144 Cb 0.55 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1eav h VAL 144 CO -0.53 0.07 -0.13 0.00 0.02 0.00 0.00 177.57 177.00 1eav h ALA 145 N 1.84 0.32 -0.26 1.67 0.00 -0.94 -3.29 119.26 118.60 1eav h ALA 145 Ca 0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1eav h ALA 145 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1eav h ALA 145 CO -0.01 0.20 -0.09 0.93 0.00 0.00 0.00 179.25 180.27 1eav h GLU 146 N 0.20 0.52 -0.70 0.00 5.08 -0.56 -2.28 114.58 116.84 1eav h GLU 146 Ca 0.05 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1eav h GLU 146 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1eav h GLU 146 CO 0.04 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 1eav n GLU 149 N 0.67 0.00 0.01 0.00 2.13 -0.86 -1.60 120.64 120.99 1eav n GLU 149 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1eav n GLU 149 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 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 0.55 0.11 4.31 0.00 -1.71 -3.34 119.26 119.17 1eav h ALA 150 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 54.91 54.00 1eav h ALA 150 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1eav h ALA 150 CO 0.00 0.71 -1.84 -0.07 0.00 0.00 0.00 179.25 178.05 1eav h LEU 151 N 0.42 0.35 -1.91 0.00 3.38 -1.59 -3.39 115.31 112.57 1eav h LEU 151 Ca -0.02 -0.69 0.33 0.00 0.09 0.00 0.00 57.88 57.59 1eav h LEU 151 Cb 1.25 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1eav h LEU 151 CO 0.13 1.61 0.89 0.25 0.09 0.00 0.00 178.44 181.41 1eav h LEU 152 N 0.06 0.00 -1.58 1.67 5.85 -1.83 0.12 115.31 119.61 1eav h LEU 152 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1eav h LEU 152 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1eav h LEU 152 CO 0.11 0.00 0.00 -0.65 -0.34 0.00 0.00 178.44 177.56 1eav h PRO 153 N 0.00 0.00 0.00 5.25 0.11 -1.78 -3.34 132.00 132.24 1eav h PRO 153 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1eav h PRO 153 Cb 2.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.44 1eav h PRO 153 CO -0.01 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 177.73 1eav n ALA 154 N -1.85 0.49 0.29 -0.75 0.00 0.40 -4.75 120.51 114.33 1eav n ALA 154 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1eav n ALA 154 Cb 0.10 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.45 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 0.66 0.00 5.85 -1.59 0.16 115.31 120.39 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 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1eav h LEU 155 CO 0.00 0.02 -0.32 0.50 -0.34 0.00 0.00 178.44 178.30 1eav h LYS 156 N 0.00 -0.85 -0.81 1.25 3.64 -1.82 -0.53 116.57 117.46 1eav h LYS 156 Ca -0.00 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1eav h LYS 156 Cb 0.05 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1eav h LYS 156 CO 0.00 -0.57 0.53 1.25 -2.27 0.00 0.00 179.45 178.39 1eav h HIS 157 N -1.01 0.83 -0.39 1.91 2.76 -1.74 -0.99 115.15 116.52 1eav h HIS 157 Ca -0.09 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1eav h HIS 157 Cb 0.68 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 1eav h HIS 157 CO 0.04 0.40 0.16 0.00 -1.30 0.00 0.00 177.93 177.23 1eav h ALA 158 N 1.59 0.47 -0.01 5.26 0.00 -0.48 -0.38 119.26 125.70 1eav h ALA 158 Ca 0.37 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 1eav h ALA 158 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1eav h ALA 158 CO -0.14 -0.23 -0.66 -0.07 0.00 0.00 0.00 179.25 178.15 1eav h LEU 159 N 0.33 0.05 -0.12 0.00 3.38 0.22 -2.94 115.31 116.22 1eav h LEU 159 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1eav h LEU 159 Cb 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1eav h LEU 159 CO -0.16 0.70 0.02 0.50 0.09 0.00 0.00 178.44 179.59 1eav h LYS 160 N 0.03 0.19 -0.38 1.13 3.64 -0.86 -2.74 116.57 117.57 1eav h LYS 160 Ca -0.01 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1eav h LYS 160 Cb 1.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1eav h LYS 160 CO 0.09 0.38 0.27 1.96 -2.27 0.00 0.00 179.45 179.89 1eav h GLN 161 N -0.03 0.06 0.00 1.90 4.20 -0.98 -3.51 115.11 116.75 1eav h GLN 161 Ca 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1eav h GLN 161 Cb 0.28 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1eav h GLN 161 CO 0.00 0.04 0.00 -0.89 -0.67 0.00 0.00 178.83 177.31