#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eav n PRO 4 N 0.00 2.19 -0.07 1.61 -0.02 -1.26 -4.98 135.00 132.47 1eav n PRO 4 Ca 0.00 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1eav n PRO 4 Cb 0.00 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 30.81 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 6.03 0.00 -5.38 -0.52 4.81 -1.90 -3.44 114.58 114.19 1eav h GLU 5 Ca -0.45 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 1eav h GLU 5 Cb 1.25 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.52 1eav h GLU 5 CO 0.89 0.84 -0.31 0.71 -0.73 0.00 0.00 179.01 180.42 1eav s TYR 6 N -2.17 3.39 -0.19 0.92 4.12 -1.03 -5.01 117.35 117.39 1eav s TYR 6 Ca -0.18 0.52 -0.16 0.00 0.02 0.00 0.00 57.07 57.28 1eav s TYR 6 Cb -0.01 -2.40 -0.04 0.00 -1.52 0.00 0.00 41.96 37.99 1eav s TYR 6 CO 0.57 0.10 0.38 0.15 0.02 0.00 0.00 175.55 176.77 1eav s LYS 7 N 0.95 4.20 -0.03 -0.62 1.02 -1.26 -1.62 119.74 122.37 1eav s LYS 7 Ca 0.16 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.41 1eav s LYS 7 Cb -0.14 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1eav s LYS 7 CO 0.06 0.02 -0.24 0.08 -0.92 0.00 0.00 175.35 174.35 1eav s VAL 8 N 1.12 2.25 0.04 3.17 1.01 0.49 -1.06 120.40 127.41 1eav s VAL 8 Ca 0.19 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1eav s VAL 8 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1eav s VAL 8 CO 0.07 0.58 -0.14 0.00 0.00 0.00 0.00 175.10 175.61 1eav s ALA 9 N -0.57 1.20 -0.10 5.51 0.00 0.07 -0.84 121.76 127.04 1eav s ALA 9 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1eav s ALA 9 Cb -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1eav s ALA 9 CO -0.00 0.23 -0.13 0.42 0.00 0.00 0.00 175.76 176.28 1eav s ILE 10 N -0.83 1.32 -0.25 0.00 1.01 -0.65 -1.92 121.20 119.88 1eav s ILE 10 Ca 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1eav s ILE 10 Cb -0.08 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1eav s ILE 10 CO 0.01 0.41 -0.02 -0.22 0.00 0.00 0.00 174.94 175.12 1eav s LEU 11 N 1.06 3.28 -0.10 2.97 2.96 -0.86 -1.71 118.68 126.29 1eav s LEU 11 Ca -0.06 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.97 1eav s LEU 11 Cb -0.15 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1eav s LEU 11 CO -0.02 -0.12 0.48 -0.89 -1.32 0.00 0.00 176.35 174.48 1eav s THR 12 N 1.41 5.15 -0.21 3.68 2.01 -0.12 -1.76 115.64 125.79 1eav s THR 12 Ca 0.02 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 62.95 1eav s THR 12 Cb -0.16 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1eav s THR 12 CO -0.02 0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 1eav s VAL 13 N 0.36 2.99 -0.30 3.82 1.01 0.51 -2.30 120.40 126.49 1eav s VAL 13 Ca 0.26 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1eav s VAL 13 Cb -0.15 -2.34 0.18 0.00 0.00 0.00 0.00 36.38 34.06 1eav s VAL 13 CO 0.11 0.45 1.25 -0.55 0.00 0.00 0.00 175.10 176.36 1eav s SER 14 N 1.42 -0.07 0.18 3.32 0.15 -0.41 -4.33 113.70 113.96 1eav s SER 14 Ca 0.06 0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 1eav s SER 14 Cb -0.14 1.06 0.07 0.00 -1.71 0.00 0.00 66.02 65.30 1eav s SER 14 CO -0.06 -0.01 1.57 0.44 1.20 0.00 0.00 173.24 176.38 1eav h ASP 15 N 7.83 -1.39 0.12 5.45 3.32 -1.87 0.01 116.42 129.89 1eav h ASP 15 Ca -0.10 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1eav h ASP 15 Cb 1.17 0.65 -0.02 0.00 0.22 0.00 0.00 39.33 41.35 1eav h ASP 15 CO -0.19 -0.32 -0.27 0.74 -1.72 0.00 0.00 179.24 177.47 1eav h THR 16 N -0.20 0.00 -1.00 0.35 2.02 -1.95 -1.39 112.91 110.74 1eav h THR 16 Ca 0.20 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.53 1eav h THR 16 Cb 0.56 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.88 1eav h THR 16 CO -0.69 0.00 0.62 0.58 0.37 0.00 0.00 175.52 176.40 1eav h VAL 17 N -0.43 0.84 0.00 3.16 2.07 -1.59 -1.87 116.25 118.43 1eav h VAL 17 Ca -0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1eav h VAL 17 Cb 0.41 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1eav h VAL 17 CO -0.12 0.16 -0.29 -1.28 0.02 0.00 0.00 177.57 176.06 1eav h SER 18 N 0.90 0.00 0.28 0.57 0.87 -0.44 -2.33 113.55 113.40 1eav h SER 18 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1eav h SER 18 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1eav h SER 18 CO -0.31 0.29 -0.07 0.00 -0.53 0.00 0.00 176.83 176.22 1eav n ALA 19 N -2.26 2.71 -0.86 6.23 0.00 -0.58 -4.91 120.51 120.84 1eav n ALA 19 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1eav n ALA 19 Cb 0.47 -1.36 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 1.22 1.13 0.00 0.00 0.00 -0.88 -4.92 105.19 101.75 1eav n GLY 20 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1eav n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eav n ALA 21 N 0.75 2.18 -3.72 4.61 0.00 -1.13 -4.85 120.51 118.36 1eav n ALA 21 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1eav n ALA 21 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1eav n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1eav s GLY 22 N -1.94 -0.38 0.52 0.00 0.00 -1.26 -4.95 107.32 99.32 1eav s GLY 22 Ca 0.25 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.67 1eav s GLY 22 CO 0.19 2.17 0.66 2.56 0.00 0.00 0.00 173.10 178.68 1eav s PRO 23 N -2.12 2.44 -0.39 2.90 0.04 -1.26 -4.46 135.00 132.15 1eav s PRO 23 Ca 0.20 -1.59 -0.11 0.00 0.04 0.00 0.00 61.00 59.55 1eav s PRO 23 Cb 0.04 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1eav s PRO 23 CO -0.04 -0.63 0.23 0.34 0.04 0.00 0.00 177.00 176.93 1eav s ASP 24 N -4.50 5.73 0.08 6.66 3.68 -1.26 -4.85 116.67 122.21 1eav s ASP 24 Ca 0.56 -1.16 0.20 0.00 2.13 0.00 0.00 52.55 54.27 1eav s ASP 24 Cb -0.06 -2.02 -0.13 0.00 -1.45 0.00 0.00 42.92 39.26 1eav s ASP 24 CO 0.34 -0.45 0.79 0.54 0.13 0.00 0.00 175.17 176.53 1eav n ARG 25 N 4.99 0.63 -0.04 4.34 1.74 -1.26 -4.36 116.66 122.69 1eav n ARG 25 Ca -0.11 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1eav n ARG 25 Cb 0.45 -1.74 -0.14 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.67 0.94 -0.15 0.55 3.41 -1.26 -3.75 113.62 110.69 1eav n SER 26 Ca -0.06 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1eav n SER 26 Cb 0.69 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.58 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 3.15 -1.17 1.69 5.00 0.00 -1.91 -0.87 103.07 108.97 1eav h GLY 27 Ca -0.38 0.76 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 1eav h GLY 27 CO 0.06 -0.21 -0.09 -0.56 0.00 0.00 0.00 176.54 175.74 1eav h PRO 28 N -0.28 0.39 -0.30 4.80 0.13 -1.78 0.15 132.00 135.10 1eav h PRO 28 Ca 0.07 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1eav h PRO 28 Cb 0.47 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1eav h PRO 28 CO -0.54 0.49 0.19 0.00 -0.23 0.00 0.00 178.00 177.91 1eav h ARG 29 N 0.37 0.38 -0.80 0.86 2.47 -1.44 -2.23 114.38 114.00 1eav h ARG 29 Ca 0.07 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1eav h ARG 29 Cb 0.39 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.58 1eav h ARG 29 CO 0.02 0.25 0.52 0.00 0.56 0.00 0.00 179.97 181.33 1eav h ALA 30 N 1.11 1.03 -0.03 0.04 0.00 -0.22 -0.76 119.26 120.43 1eav h ALA 30 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1eav h ALA 30 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1eav h ALA 30 CO -0.03 0.39 -0.11 0.28 0.00 0.00 0.00 179.25 179.78 1eav h VAL 31 N 1.05 0.71 -0.11 0.00 2.07 -0.45 -1.33 116.25 118.20 1eav h VAL 31 Ca 0.30 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.75 1eav h VAL 31 Cb -0.08 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1eav h VAL 31 CO -0.08 0.00 -0.26 -1.28 0.02 0.00 0.00 177.57 175.97 1eav h SER 32 N -0.18 0.18 -0.33 0.57 0.87 -0.78 -1.80 113.55 112.09 1eav h SER 32 Ca 0.05 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1eav h SER 32 Cb 0.24 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1eav h SER 32 CO -0.13 0.45 0.18 0.58 -0.53 0.00 0.00 176.83 177.38 1eav h VAL 33 N 0.17 1.14 -0.04 2.23 2.07 -0.71 0.59 116.25 121.70 1eav h VAL 33 Ca 0.03 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1eav h VAL 33 Cb 0.55 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1eav h VAL 33 CO 0.04 0.14 -0.17 0.58 0.02 0.00 0.00 177.57 178.17 1eav h VAL 34 N 0.41 0.57 0.30 2.57 2.07 -0.78 -0.92 116.25 120.47 1eav h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1eav h VAL 34 Cb 0.06 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1eav h VAL 34 CO -0.02 0.00 -0.37 0.44 0.02 0.00 0.00 177.57 177.64 1eav h ASP 35 N -0.27 -1.01 0.00 0.57 3.45 -1.07 0.29 116.42 118.38 1eav h ASP 35 Ca 0.07 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1eav h ASP 35 Cb 0.36 0.35 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1eav h ASP 35 CO -0.19 -0.49 0.02 -0.24 -1.57 0.00 0.00 179.24 176.76 1eav n SER 36 N -5.46 0.00 -0.23 6.45 2.88 0.18 -0.79 113.62 116.64 1eav n SER 36 Ca -0.09 0.26 0.04 0.00 -1.33 0.00 0.00 58.87 57.74 1eav n SER 36 Cb 0.37 -0.26 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.24 1.32 -0.33 -3.46 7.64 0.92 -4.76 113.62 113.71 1eav n SER 37 Ca 0.00 -1.16 0.12 0.00 1.01 0.00 0.00 58.87 58.84 1eav n SER 37 Cb 0.02 0.25 0.25 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.15 -0.49 0.46 6.43 0.87 0.23 0.33 113.55 122.53 1eav h SER 38 Ca 0.00 0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1eav h SER 38 Cb 0.29 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1eav h SER 38 CO 0.00 -0.31 -0.22 -0.08 -0.53 0.00 0.00 176.83 175.69 1eav h GLU 39 N 0.03 -0.59 -0.21 2.24 4.81 -1.86 2.89 114.58 121.89 1eav h GLU 39 Ca 0.55 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.88 1eav h GLU 39 Cb 1.07 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1eav h GLU 39 CO -0.88 -0.40 0.37 0.87 -0.73 0.00 0.00 179.01 178.25 1eav h LYS 40 N -0.64 0.00 -0.00 1.92 1.57 -1.66 0.41 116.57 118.17 1eav h LYS 40 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1eav h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1eav h LYS 40 CO 0.10 0.00 -0.12 1.28 -0.57 0.00 0.00 179.45 180.14 1eav n LEU 41 N -3.36 0.32 0.00 2.94 4.77 0.11 -4.69 117.00 117.08 1eav n LEU 41 Ca 0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1eav n LEU 41 Cb 0.49 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1eav n LEU 41 CO 0.21 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1eav n GLY 42 N 1.35 0.97 1.34 -0.72 0.00 0.14 -4.54 105.19 103.72 1eav n GLY 42 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.05 -2.96 3.17 -0.02 0.00 0.96 -4.80 105.19 99.49 1eav n GLY 43 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.02 -0.37 0.00 4.61 0.00 -1.23 -2.46 121.76 122.30 1eav s ALA 44 Ca -0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1eav s ALA 44 Cb 0.00 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1eav s ALA 44 CO 0.01 -0.32 0.43 0.21 0.00 0.00 0.00 175.76 176.09 1eav s LYS 45 N -2.26 0.86 -0.33 0.00 2.20 -0.64 -4.59 119.74 114.98 1eav s LYS 45 Ca -0.08 -0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 55.18 1eav s LYS 45 Cb -0.03 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1eav s LYS 45 CO -0.02 -0.27 0.51 0.08 -0.36 0.00 0.00 175.35 175.29 1eav s VAL 46 N -1.79 5.03 -1.30 4.02 1.01 -1.26 -0.37 120.40 125.73 1eav s VAL 46 Ca -0.10 0.48 0.12 0.00 0.00 0.00 0.00 61.98 62.48 1eav s VAL 46 Cb -0.02 -3.92 0.20 0.00 0.00 0.00 0.00 36.38 32.63 1eav s VAL 46 CO 0.03 -0.13 1.05 1.33 0.00 0.00 0.00 175.10 177.37 1eav n VAL 47 N 5.36 0.42 -3.58 2.92 0.24 -0.02 -4.93 118.33 118.75 1eav n VAL 47 Ca -0.05 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.45 1eav n VAL 47 Cb 0.49 0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.01 -1.95 0.05 2.33 0.00 -1.24 -5.04 121.76 114.91 1eav s ALA 48 Ca 0.19 1.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 1eav s ALA 48 Cb 0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1eav s ALA 48 CO 0.16 -0.34 0.07 0.95 0.00 0.00 0.00 175.76 176.61 1eav s THR 49 N -1.27 0.16 0.31 0.00 -4.23 -1.26 -1.63 115.64 107.72 1eav s THR 49 Ca 0.00 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1eav s THR 49 Cb -0.01 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 1eav s THR 49 CO -0.00 -0.74 0.43 0.00 -0.54 0.00 0.00 174.62 173.76 1eav s ALA 50 N -3.30 0.65 -0.01 3.99 0.00 -0.70 -4.96 121.76 117.43 1eav s ALA 50 Ca 0.01 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1eav s ALA 50 Cb 0.03 1.18 -0.00 0.00 0.00 0.00 0.00 23.12 24.32 1eav s ALA 50 CO -0.08 -0.78 -0.09 0.08 0.00 0.00 0.00 175.76 174.90 1eav s VAL 51 N -3.40 0.70 0.05 0.00 1.01 -1.26 -0.95 120.40 116.56 1eav s VAL 51 Ca 0.30 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1eav s VAL 51 Cb 0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1eav s VAL 51 CO 0.17 0.20 0.01 0.68 0.00 0.00 0.00 175.10 176.16 1eav s VAL 52 N -0.12 0.20 0.94 2.92 -7.23 -0.97 -4.97 120.40 111.17 1eav s VAL 52 Ca 0.02 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 1eav s VAL 52 Cb -0.04 -1.36 0.16 0.00 0.56 0.00 0.00 36.38 35.71 1eav s VAL 52 CO -0.00 -0.89 1.20 -2.16 -0.31 0.00 0.00 175.10 172.94 1eav s PRO 53 N -3.63 0.85 -1.22 4.82 0.04 -1.26 -1.29 135.00 133.31 1eav s PRO 53 Ca 0.04 -0.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.86 1eav s PRO 53 Cb 0.06 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1eav s PRO 53 CO -0.09 -2.34 1.89 -0.25 0.04 0.00 0.00 177.00 176.25 1eav n ASP 54 N -3.80 3.86 -3.70 6.66 8.00 -1.26 -4.53 116.55 121.77 1eav n ASP 54 Ca 0.10 -2.80 -0.11 0.00 0.71 0.00 0.00 54.79 52.69 1eav n ASP 54 Cb 0.60 -1.66 -0.12 0.00 -0.02 0.00 0.00 41.12 39.92 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 5.02 0.31 0.25 -1.24 2.02 -1.26 -4.91 118.70 118.90 1eav s GLU 55 Ca 0.59 0.71 -0.05 0.00 0.02 0.00 0.00 54.97 56.25 1eav s GLU 55 Cb 0.05 -0.04 0.34 0.00 0.10 0.00 0.00 34.13 34.57 1eav s GLU 55 CO 0.09 -0.17 1.88 -0.39 0.02 0.00 0.00 175.26 176.69 1eav h VAL 56 N 5.73 1.12 -0.41 2.63 -1.51 -1.89 -1.32 116.25 120.60 1eav h VAL 56 Ca -0.36 -0.39 -0.09 0.00 -1.23 0.00 0.00 66.70 64.63 1eav h VAL 56 Cb 1.17 -0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1eav h VAL 56 CO 0.31 0.21 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.41 1eav h GLU 57 N 1.14 0.73 -0.27 5.19 4.39 -1.97 0.19 114.58 123.98 1eav h GLU 57 Ca 0.39 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1eav h GLU 57 Cb 0.08 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1eav h GLU 57 CO -0.15 0.82 -0.12 0.00 -1.16 0.00 0.00 179.01 178.40 1eav h ARG 58 N 0.66 0.45 0.12 2.33 2.47 -1.62 -1.85 114.38 116.94 1eav h ARG 58 Ca 0.11 -0.12 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 1eav h ARG 58 Cb 0.58 -0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.87 1eav h ARG 58 CO 0.04 0.58 -0.93 0.82 0.56 0.00 0.00 179.97 181.03 1eav h ILE 59 N 0.42 1.41 -0.48 2.04 2.04 -0.46 -3.22 117.51 119.26 1eav h ILE 59 Ca 0.08 -2.42 0.05 0.00 1.00 0.00 0.00 64.86 63.56 1eav h ILE 59 Cb 0.47 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 1eav h ILE 59 CO 0.03 0.71 0.23 0.11 0.00 0.00 0.00 178.15 179.22 1eav h LYS 60 N -0.10 0.44 -0.61 2.37 1.57 -0.56 -2.15 116.57 117.53 1eav h LYS 60 Ca -0.15 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1eav h LYS 60 Cb 1.68 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.83 1eav h LYS 60 CO 0.18 0.29 0.27 -0.44 -0.57 0.00 0.00 179.45 179.17 1eav h ASP 61 N 0.45 0.32 -0.21 0.86 5.19 -1.39 0.31 116.42 121.96 1eav h ASP 61 Ca 0.22 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 1eav h ASP 61 Cb 0.15 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1eav h ASP 61 CO -0.17 0.20 -0.06 0.40 -3.12 0.00 0.00 179.24 176.49 1eav h ILE 62 N 0.48 1.29 -0.93 0.35 1.08 -1.50 0.87 117.51 119.16 1eav h ILE 62 Ca 0.29 -1.07 0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1eav h ILE 62 Cb 0.30 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 1eav h ILE 62 CO -0.25 0.33 0.61 -0.07 -0.69 0.00 0.00 178.15 178.08 1eav h LEU 63 N 0.14 1.02 0.83 1.44 3.38 -0.59 0.19 115.31 121.72 1eav h LEU 63 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1eav h LEU 63 Cb 0.53 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1eav h LEU 63 CO 0.02 0.70 -0.40 1.56 0.09 0.00 0.00 178.44 180.42 1eav h GLN 64 N 1.18 -1.08 -0.39 1.13 4.20 -0.26 -1.27 115.11 118.63 1eav h GLN 64 Ca 0.37 0.07 0.07 0.00 0.06 0.00 0.00 58.65 59.22 1eav h GLN 64 Cb -0.01 0.24 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1eav h GLN 64 CO -0.11 -0.72 -0.04 -0.22 -0.67 0.00 0.00 178.83 177.08 1eav h LYS 65 N -1.16 0.06 0.00 1.46 3.64 0.16 0.21 116.57 120.93 1eav h LYS 65 Ca -0.11 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1eav h LYS 65 Cb 0.86 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1eav h LYS 65 CO 0.19 0.04 -0.20 -1.49 -2.27 0.00 0.00 179.45 175.72 1eav h TRP 66 N 0.06 0.00 0.07 1.91 6.55 -0.68 -0.05 115.95 123.82 1eav h TRP 66 Ca 0.19 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.89 1eav h TRP 66 Cb 0.28 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1eav h TRP 66 CO -0.29 0.20 -0.67 0.77 -1.05 0.00 0.00 178.44 177.40 1eav h SER 67 N 0.00 0.24 0.32 -3.49 0.02 0.31 -2.59 113.55 108.36 1eav h SER 67 Ca -0.00 -0.91 -0.33 0.00 -0.84 0.00 0.00 61.79 59.72 1eav h SER 67 Cb 0.82 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1eav h SER 67 CO 0.03 1.30 -1.85 0.47 -1.14 0.00 0.00 176.83 175.64 1eav n ASP 68 N -4.30 1.44 -0.13 3.07 8.00 0.52 -3.64 116.55 121.50 1eav n ASP 68 Ca -0.16 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.39 1eav n ASP 68 Cb 0.70 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 1eav n ASP 68 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1eav n VAL 69 N -3.24 1.44 0.65 2.53 0.31 -0.08 -4.52 118.33 115.42 1eav n VAL 69 Ca -0.24 -0.40 0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1eav n VAL 69 Cb 1.05 -1.77 0.37 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 -4.00 0.73 -1.59 4.52 8.00 -0.91 -5.03 116.55 118.26 1eav n ASP 70 Ca -0.51 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1eav n ASP 70 Cb 0.89 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.16 -3.29 0.00 -1.24 1.02 -0.98 -4.98 120.64 109.01 1eav n GLU 71 Ca 0.05 2.42 0.00 0.00 -0.02 0.00 0.00 57.16 59.61 1eav n GLU 71 Cb 0.42 -2.88 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 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 -0.36 3.11 -3.66 1.62 8.00 -0.22 -4.96 116.55 120.08 1eav n ASP 73 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1eav n ASP 73 Cb 0.00 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 41.57 1eav n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1eav s LEU 74 N -2.07 -0.69 -0.11 0.64 2.96 -0.79 -1.77 118.68 116.86 1eav s LEU 74 Ca 0.00 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 1eav s LEU 74 Cb 0.00 1.66 0.02 0.00 0.50 0.00 0.00 46.19 48.37 1eav s LEU 74 CO 0.00 -0.22 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.07 1eav s ILE 75 N 2.38 1.22 -0.13 6.68 1.01 -0.41 -0.75 121.20 131.20 1eav s ILE 75 Ca -0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1eav s ILE 75 Cb -0.11 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1eav s ILE 75 CO -0.15 0.39 0.04 -0.76 0.00 0.00 0.00 174.94 174.47 1eav s LEU 76 N 1.33 3.77 0.11 2.97 1.43 -0.81 -2.15 118.68 125.33 1eav s LEU 76 Ca -0.01 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1eav s LEU 76 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1eav s LEU 76 CO -0.05 0.31 0.06 0.42 0.23 0.00 0.00 176.35 177.32 1eav s THR 77 N -0.43 4.32 -0.09 5.49 -4.23 -0.62 -2.02 115.64 118.05 1eav s THR 77 Ca 0.09 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1eav s THR 77 Cb -0.12 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.63 1eav s THR 77 CO 0.02 0.05 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.30 1eav s LEU 78 N -2.58 1.39 0.00 4.79 1.43 -0.72 -4.55 118.68 118.43 1eav s LEU 78 Ca 0.29 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1eav s LEU 78 Cb -0.11 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1eav s LEU 78 CO 0.21 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1eav n GLY 79 N 4.45 0.98 2.10 -3.19 0.00 -1.26 -0.36 105.19 107.92 1eav n GLY 79 Ca -0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 1.10 0.48 0.73 -0.02 0.00 -1.26 -4.68 105.19 101.54 1eav n GLY 80 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.38 0.65 -1.08 2.61 -2.24 -1.26 -0.84 114.28 108.73 1eav n THR 81 Ca -0.05 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1eav n THR 81 Cb 0.32 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.80 1.40 0.01 3.38 0.00 -1.26 -1.37 105.19 108.14 1eav n GLY 82 Ca 0.13 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 0.04 -1.59 1.61 3.01 -1.26 -4.77 117.46 114.50 1eav n PHE 83 Ca 0.00 0.01 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 1eav n PHE 83 Cb 0.00 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.32 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 -1.60 2.41 0.20 4.37 -1.04 -1.26 -4.88 114.28 112.48 1eav n THR 84 Ca 0.04 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1eav n THR 84 Cb 0.36 -1.09 0.69 0.00 -1.82 0.00 0.00 70.33 68.47 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 1.44 0.00 -0.00 -2.82 0.11 -2.03 -2.29 132.00 126.41 1eav h PRO 85 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1eav h PRO 85 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1eav h PRO 85 CO 0.56 0.00 -0.21 0.54 -0.21 0.00 0.00 178.00 178.68 1eav n ARG 86 N -4.39 0.31 -2.21 1.05 5.12 -1.26 -4.72 116.66 110.56 1eav n ARG 86 Ca 0.00 -0.12 -0.43 0.00 -1.93 0.00 0.00 57.85 55.37 1eav n ARG 86 Cb 0.22 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.00 1eav n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1eav s ASP 87 N -2.78 6.19 -0.01 0.55 1.01 -0.86 -4.73 116.67 116.04 1eav s ASP 87 Ca 0.19 1.07 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1eav s ASP 87 Cb 0.19 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1eav s ASP 87 CO 0.56 -1.51 0.81 1.33 0.21 0.00 0.00 175.17 176.58 1eav n VAL 88 N 7.13 0.34 -0.07 -1.27 0.24 -0.88 -4.85 118.33 118.97 1eav n VAL 88 Ca 0.19 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 1eav n VAL 88 Cb 0.47 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.42 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 3.70 1.16 -0.72 3.34 2.02 -1.26 -0.26 112.91 120.89 1eav h THR 89 Ca 0.00 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1eav h THR 89 Cb 1.08 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1eav h THR 89 CO 0.00 0.16 0.33 -0.65 0.37 0.00 0.00 175.52 175.73 1eav h PRO 90 N 0.22 1.03 -0.59 6.66 0.11 -1.85 0.18 132.00 137.77 1eav h PRO 90 Ca 0.08 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 1eav h PRO 90 Cb 0.17 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1eav h PRO 90 CO -0.01 0.81 0.23 0.93 -0.21 0.00 0.00 178.00 179.75 1eav h GLU 91 N 1.02 0.86 -0.23 1.05 3.07 -1.64 0.24 114.58 118.96 1eav h GLU 91 Ca 0.25 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.78 1eav h GLU 91 Cb 0.12 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1eav h GLU 91 CO -0.03 0.71 -0.62 0.00 -1.40 0.00 0.00 179.01 177.67 1eav h ALA 92 N 1.41 0.48 -0.24 3.43 0.00 0.79 -2.64 119.26 122.49 1eav h ALA 92 Ca 0.20 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1eav h ALA 92 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1eav h ALA 92 CO -0.02 0.69 -0.14 1.15 0.00 0.00 0.00 179.25 180.93 1eav h THR 93 N 0.57 1.22 -0.15 0.00 2.02 -0.09 -2.82 112.91 113.66 1eav h THR 93 Ca -0.01 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 1eav h THR 93 Cb 1.22 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1eav h THR 93 CO 0.13 0.31 -0.20 0.11 0.37 0.00 0.00 175.52 176.24 1eav h LYS 94 N 0.37 0.25 0.00 6.66 1.57 -0.61 -1.72 116.57 123.09 1eav h LYS 94 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1eav h LYS 94 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1eav h LYS 94 CO 0.03 0.46 0.00 1.63 -0.57 0.00 0.00 179.45 180.99 1eav n LYS 95 N -4.20 0.11 -0.00 3.15 5.02 -1.06 -3.88 118.16 117.29 1eav n LYS 95 Ca -0.01 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1eav n LYS 95 Cb 0.33 -1.71 -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 -1.91 0.00 -1.84 -0.18 0.24 -0.68 -5.01 118.33 108.95 1eav n VAL 96 Ca 0.03 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.72 1eav n VAL 96 Cb 0.20 0.79 0.02 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.44 4.46 -0.08 1.34 -4.36 -0.99 -4.74 121.20 115.39 1eav s ILE 97 Ca 0.00 0.80 0.04 0.00 -0.26 0.00 0.00 60.65 61.23 1eav s ILE 97 Cb 0.00 -3.76 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 1eav s ILE 97 CO 0.02 -1.04 -0.02 -0.62 0.24 0.00 0.00 174.94 173.51 1eav n GLU 98 N -2.83 1.74 -4.33 0.37 1.02 0.31 -4.96 120.64 111.96 1eav n GLU 98 Ca 0.06 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.98 1eav n GLU 98 Cb 0.54 -1.18 -0.17 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.18 1.54 0.53 3.49 0.52 -0.31 -4.96 118.95 117.58 1eav s ARG 99 Ca -0.07 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 1eav s ARG 99 Cb 0.03 -1.39 -0.07 0.00 0.52 0.00 0.00 34.95 34.03 1eav s ARG 99 CO 0.26 -0.07 0.98 -1.21 0.02 0.00 0.00 175.30 175.28 1eav s GLU 100 N 1.01 3.88 -0.49 3.54 2.02 -1.26 -0.13 118.70 127.27 1eav s GLU 100 Ca -0.08 0.90 0.07 0.00 0.02 0.00 0.00 54.97 55.88 1eav s GLU 100 Cb -0.15 -2.14 0.25 0.00 0.10 0.00 0.00 34.13 32.19 1eav s GLU 100 CO -0.00 -0.31 0.61 0.25 0.02 0.00 0.00 175.26 175.83 1eav n THR 101 N -1.76 0.56 0.31 3.63 -2.24 -1.21 -4.83 114.28 108.74 1eav n THR 101 Ca 0.06 -4.50 0.20 0.00 -2.27 0.00 0.00 64.05 57.54 1eav n THR 101 Cb 0.54 -2.02 1.02 0.00 -2.10 0.00 0.00 70.33 67.78 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 4.09 0.00 -0.73 -0.78 0.11 -1.95 -1.17 132.00 131.58 1eav h PRO 102 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1eav h PRO 102 Cb 0.79 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1eav h PRO 102 CO 0.61 0.00 0.46 0.78 -0.21 0.00 0.00 178.00 179.64 1eav h GLY 103 N 0.63 1.04 1.60 -0.55 0.00 -1.98 0.40 103.07 104.21 1eav h GLY 103 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1eav h GLY 103 CO 0.00 0.40 0.06 1.41 0.00 0.00 0.00 176.54 178.41 1eav h LEU 104 N 0.99 0.46 -0.13 3.11 3.38 -1.64 -0.20 115.31 121.28 1eav h LEU 104 Ca 0.26 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 1eav h LEU 104 Cb -0.07 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.57 1eav h LEU 104 CO -0.05 0.49 -0.66 -0.07 0.09 0.00 0.00 178.44 178.24 1eav h LEU 105 N 0.49 0.81 -0.33 1.67 3.38 -1.25 -2.94 115.31 117.14 1eav h LEU 105 Ca 0.11 -0.64 0.06 0.00 0.09 0.00 0.00 57.88 57.51 1eav h LEU 105 Cb 0.23 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1eav h LEU 105 CO 0.00 1.31 -0.04 0.15 0.09 0.00 0.00 178.44 179.96 1eav h PHE 106 N 0.35 -0.09 -0.21 1.13 3.57 -0.49 -3.41 116.94 117.81 1eav h PHE 106 Ca -0.05 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1eav h PHE 106 Cb 1.30 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1eav h PHE 106 CO 0.10 -0.10 0.28 0.08 -2.23 0.00 0.00 178.31 176.45 1eav s VAL 107 N -6.20 3.15 0.00 1.41 1.01 -0.13 -4.64 120.40 115.00 1eav s VAL 107 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1eav s VAL 107 Cb 0.13 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1eav s VAL 107 CO 0.70 -0.27 0.00 1.67 0.00 0.00 0.00 175.10 177.20 1eav n GLN 110 N 8.24 0.00 -0.03 2.72 7.27 -1.26 -4.52 117.38 129.80 1eav n GLN 110 Ca 0.42 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.39 1eav n GLN 110 Cb 0.47 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 0.22 0.00 3.69 4.39 -1.96 -2.48 114.58 118.44 1eav h GLU 111 Ca 0.00 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1eav h GLU 111 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1eav h GLU 111 CO 0.00 0.16 -0.27 0.66 -1.16 0.00 0.00 179.01 178.40 1eav h SER 112 N 0.21 0.00 0.27 1.42 4.64 -1.94 0.18 113.55 118.34 1eav h SER 112 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1eav h SER 112 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1eav h SER 112 CO -0.01 0.27 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.15 1eav h LEU 113 N 0.00 0.00 -0.21 5.97 3.38 -1.61 -0.87 115.31 121.97 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 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1eav h LEU 113 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1eav n LYS 114 N -3.11 0.25 -0.06 1.13 5.02 0.64 -2.96 118.16 119.06 1eav n LYS 114 Ca -0.02 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.49 1eav n LYS 114 Cb 0.13 -1.83 -0.15 0.00 -0.02 0.00 0.00 35.03 33.16 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 -2.27 1.17 -3.62 -0.18 5.41 -0.36 -5.00 119.36 114.51 1eav n ILE 115 Ca 0.05 -0.78 -0.06 0.00 1.00 0.00 0.00 62.75 62.96 1eav n ILE 115 Cb 0.37 -0.48 -0.05 0.00 -0.71 0.00 0.00 39.64 38.77 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 -2.71 0.00 0.40 1.39 -1.32 -1.03 -5.02 115.64 107.35 1eav s THR 116 Ca -0.08 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.67 1eav s THR 116 Cb 0.08 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.36 1eav s THR 116 CO 0.84 0.00 2.06 1.55 -2.21 0.00 0.00 174.62 176.86 1eav h PRO 117 N 2.57 0.00 0.00 7.08 0.14 -1.86 -2.74 132.00 137.19 1eav h PRO 117 Ca -0.16 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.98 1eav h PRO 117 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1eav h PRO 117 CO 0.24 0.12 0.00 1.19 0.14 0.00 0.00 178.00 179.69 1eav n PHE 118 N -3.62 0.00 -0.38 1.56 3.01 -1.26 -4.50 117.46 112.26 1eav n PHE 118 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 1eav n PHE 118 Cb 0.25 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.25 2.99 0.00 4.37 0.00 -1.03 -4.47 120.51 121.12 1eav n ALA 119 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1eav n ALA 119 Cb 0.06 -2.48 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 3.48 0.00 -4.83 0.00 4.77 -1.26 -4.93 117.00 114.23 1eav n LEU 121 Ca 0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1eav n LEU 121 Cb 0.22 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1eav n LEU 121 CO 0.37 0.00 0.61 -0.55 -1.33 0.00 0.00 177.39 176.49 1eav s SER 122 N 0.00 6.86 -0.11 -1.43 0.15 -1.26 -4.38 113.70 113.53 1eav s SER 122 Ca 0.00 1.59 0.14 0.00 0.70 0.00 0.00 55.95 58.38 1eav s SER 122 Cb 0.00 -2.50 0.30 0.00 -1.71 0.00 0.00 66.02 62.11 1eav s SER 122 CO 0.00 -0.37 1.15 0.54 1.20 0.00 0.00 173.24 175.76 1eav n ARG 123 N -0.75 0.90 -1.51 5.44 1.74 -0.47 -4.99 116.66 117.01 1eav n ARG 123 Ca 0.06 -2.39 -0.50 0.00 -0.77 0.00 0.00 57.85 54.25 1eav n ARG 123 Cb 0.54 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 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 -0.71 0.25 -4.64 0.55 7.64 -1.26 -4.71 113.62 110.73 1eav n SER 124 Ca 0.12 1.15 -0.25 0.00 1.01 0.00 0.00 58.87 60.89 1eav n SER 124 Cb 0.76 -1.09 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 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 -0.54 3.26 -0.05 -0.43 0.00 -1.26 -4.99 121.76 117.74 1eav s ALA 125 Ca 0.71 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 1eav s ALA 125 Cb -0.93 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.04 1eav s ALA 125 CO 0.55 -0.01 0.96 0.00 0.00 0.00 0.00 175.76 177.26 1eav s ALA 126 N -2.57 -1.88 0.00 0.00 0.00 -1.26 -1.38 121.76 114.67 1eav s ALA 126 Ca 0.36 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1eav s ALA 126 Cb 0.03 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1eav s ALA 126 CO 0.20 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1eav n GLY 127 N -0.13 -1.53 3.48 0.00 0.00 -0.25 -3.34 105.19 103.42 1eav n GLY 127 Ca -0.07 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.87 3.07 -0.05 -0.61 1.01 0.82 -0.10 121.20 122.48 1eav s ILE 128 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1eav s ILE 128 Cb 0.00 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1eav s ILE 128 CO 0.00 0.53 -0.11 -0.60 0.00 0.00 0.00 174.94 174.76 1eav s ARG 129 N -0.91 1.42 2.15 2.79 3.52 0.09 0.12 118.95 128.13 1eav s ARG 129 Ca 0.13 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1eav s ARG 129 Cb -0.11 -1.23 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1eav s ARG 129 CO 0.02 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 1eav n GLY 130 N 3.61 1.81 1.25 8.12 0.00 -1.26 0.16 105.19 118.87 1eav n GLY 130 Ca -0.21 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 6.51 2.97 -4.50 1.61 3.41 -1.26 -4.99 113.62 117.37 1eav n SER 131 Ca 0.00 -3.74 -0.34 0.00 -0.26 0.00 0.00 58.87 54.53 1eav n SER 131 Cb 0.00 -0.45 -0.12 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 -3.69 4.05 -0.10 6.66 2.01 0.42 -4.68 115.64 120.31 1eav s THR 132 Ca 0.43 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1eav s THR 132 Cb 0.39 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1eav s THR 132 CO -0.03 0.46 0.78 -0.22 -0.69 0.00 0.00 174.62 174.92 1eav s LEU 133 N 0.64 4.27 -0.13 4.42 2.96 -0.73 -0.73 118.68 129.37 1eav s LEU 133 Ca -0.01 1.23 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 1eav s LEU 133 Cb -0.14 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1eav s LEU 133 CO 0.02 -0.24 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.96 1eav s ILE 134 N 1.36 2.03 -0.10 6.68 1.01 0.86 -1.29 121.20 131.74 1eav s ILE 134 Ca 0.39 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1eav s ILE 134 Cb -0.18 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1eav s ILE 134 CO 0.17 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.90 1eav s ILE 135 N 0.77 1.33 0.84 2.92 1.01 -0.91 -1.09 121.20 126.06 1eav s ILE 135 Ca -0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1eav s ILE 135 Cb -0.16 -1.24 0.14 0.00 0.01 0.00 0.00 42.46 41.22 1eav s ILE 135 CO -0.01 0.41 1.17 0.20 0.00 0.00 0.00 174.94 176.71 1eav s ASN 136 N 1.09 3.92 0.15 3.58 0.01 -0.48 -1.59 114.94 121.63 1eav s ASN 136 Ca -0.05 0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.39 1eav s ASN 136 Cb -0.14 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 1eav s ASN 136 CO -0.02 -2.20 0.16 -2.84 -1.51 0.00 0.00 177.10 170.68 1eav s PRO 138 N -5.56 2.99 0.39 -0.60 0.02 -1.26 -4.70 135.00 126.29 1eav s PRO 138 Ca 0.68 -0.80 0.12 0.00 0.02 0.00 0.00 61.00 61.02 1eav s PRO 138 Cb -0.07 -2.71 0.94 0.00 0.02 0.00 0.00 34.50 32.68 1eav s PRO 138 CO 0.49 0.50 1.91 0.78 -0.33 0.00 0.00 177.00 180.35 1eav h GLY 139 N 2.47 0.90 -4.28 0.52 0.00 -1.88 -3.35 103.07 97.46 1eav h GLY 139 Ca -0.48 -0.23 -0.58 0.00 0.00 0.00 0.00 47.33 46.04 1eav h GLY 139 CO 0.65 0.09 0.46 0.70 0.00 0.00 0.00 176.54 178.43 1eav n ASN 140 N -4.51 2.52 0.11 0.19 3.02 -1.26 -4.59 115.26 110.75 1eav n ASN 140 Ca 0.15 1.20 0.05 0.00 -0.03 0.00 0.00 54.58 55.95 1eav n ASN 140 Cb 0.47 -1.45 0.51 0.00 -0.61 0.00 0.00 39.78 38.70 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 2.64 0.30 0.00 3.52 0.11 -1.87 -2.57 132.00 134.13 1eav h PRO 141 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1eav h PRO 141 Cb 1.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1eav h PRO 141 CO 0.64 0.22 -0.59 -0.91 -0.21 0.00 0.00 178.00 177.15 1eav h ASN 142 N 0.30 0.00 -0.53 -2.05 2.35 -1.97 -3.36 115.58 110.33 1eav h ASN 142 Ca 0.08 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.94 1eav h ASN 142 Cb 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 1eav h ASN 142 CO -0.01 0.30 -0.02 0.00 -1.65 0.00 0.00 177.43 176.04 1eav h ALA 143 N 1.70 0.48 -0.18 -0.83 0.00 -1.79 0.16 119.26 118.81 1eav h ALA 143 Ca -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1eav h ALA 143 Cb 1.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1eav h ALA 143 CO 0.03 -0.40 -0.03 0.28 0.00 0.00 0.00 179.25 179.14 1eav h VAL 144 N 0.10 1.13 -0.18 0.00 2.07 -1.70 0.17 116.25 117.84 1eav h VAL 144 Ca 0.27 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1eav h VAL 144 Cb 0.42 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1eav h VAL 144 CO -0.46 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.24 1eav h ALA 145 N 1.72 0.25 -0.18 1.67 0.00 -0.89 -3.22 119.26 118.60 1eav h ALA 145 Ca 0.06 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1eav h ALA 145 Cb 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1eav h ALA 145 CO 0.01 0.04 -0.62 0.93 0.00 0.00 0.00 179.25 179.61 1eav h GLU 146 N 0.06 0.74 -0.76 0.00 5.08 -1.14 -2.44 114.58 116.13 1eav h GLU 146 Ca 0.04 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1eav h GLU 146 Cb 0.52 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1eav h GLU 146 CO 0.02 1.17 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 1eav n GLU 149 N 0.67 0.00 -0.04 0.00 2.13 -0.92 -2.32 120.64 120.16 1eav n GLU 149 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1eav n GLU 149 Cb 0.01 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.83 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 0.88 0.00 4.31 0.00 -1.74 -3.34 119.26 119.37 1eav h ALA 150 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1eav h ALA 150 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1eav h ALA 150 CO 0.00 0.63 -1.59 1.28 0.00 0.00 0.00 179.25 179.57 1eav n LEU 151 N -4.07 0.56 0.16 0.00 4.77 -0.98 -4.53 117.00 112.91 1eav n LEU 151 Ca -0.01 0.24 0.14 0.00 -0.03 0.00 0.00 56.01 56.35 1eav n LEU 151 Cb 0.48 0.09 0.69 0.00 -2.33 0.00 0.00 43.42 42.35 1eav n LEU 151 CO 0.45 0.10 1.12 0.25 -1.33 0.00 0.00 177.39 177.98 1eav h LEU 152 N 0.00 0.00 -2.46 2.23 5.85 -1.85 -0.25 115.31 118.83 1eav h LEU 152 Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1eav h LEU 152 Cb 1.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1eav h LEU 152 CO 0.03 0.00 0.00 -0.65 -0.34 0.00 0.00 178.44 177.48 1eav h PRO 153 N 0.00 0.00 0.00 5.25 0.11 -1.81 -3.33 132.00 132.23 1eav h PRO 153 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1eav h PRO 153 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1eav h PRO 153 CO -0.00 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 177.63 1eav n ALA 154 N -1.98 0.57 0.23 -0.75 0.00 -0.20 -4.78 120.51 113.59 1eav n ALA 154 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.58 1eav n ALA 154 Cb 0.06 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.37 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 0.13 0.00 5.85 -1.39 0.24 115.31 120.14 1eav h LEU 155 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1eav h LEU 155 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1eav h LEU 155 CO 0.00 0.00 -0.06 0.50 -0.34 0.00 0.00 178.44 178.54 1eav h LYS 156 N 0.00 -0.17 -0.78 1.25 3.64 -1.80 -0.51 116.57 118.20 1eav h LYS 156 Ca 0.06 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1eav h LYS 156 Cb 0.37 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1eav h LYS 156 CO -0.00 0.28 0.49 1.25 -2.27 0.00 0.00 179.45 179.20 1eav h HIS 157 N -0.72 1.01 -0.38 1.91 2.76 -1.74 -2.49 115.15 115.51 1eav h HIS 157 Ca -0.02 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1eav h HIS 157 Cb 0.53 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.10 1eav h HIS 157 CO 0.08 0.66 0.08 0.00 -1.30 0.00 0.00 177.93 177.45 1eav h ALA 158 N 1.47 0.41 -0.04 5.26 0.00 -0.36 -0.72 119.26 125.27 1eav h ALA 158 Ca 0.28 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 1eav h ALA 158 Cb -0.07 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1eav h ALA 158 CO -0.06 -0.33 -0.73 -0.07 0.00 0.00 0.00 179.25 178.07 1eav h LEU 159 N 0.20 0.29 -0.30 0.00 3.38 -0.92 -2.82 115.31 115.14 1eav h LEU 159 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1eav h LEU 159 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1eav h LEU 159 CO -0.24 0.92 0.10 0.50 0.09 0.00 0.00 178.44 179.81 1eav h LYS 160 N 0.16 0.46 0.00 1.13 3.64 -1.17 -2.94 116.57 117.85 1eav h LYS 160 Ca -0.02 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1eav h LYS 160 Cb 1.29 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1eav h LYS 160 CO 0.11 0.51 -0.04 1.96 -2.27 0.00 0.00 179.45 179.72 1eav h GLN 161 N 0.33 0.00 -0.00 1.90 4.20 -0.89 -3.51 115.11 117.13 1eav h GLN 161 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1eav h GLN 161 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1eav h GLN 161 CO -0.00 0.04 0.00 -0.89 -0.67 0.00 0.00 178.83 177.31