#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s TYR 14 N 0.00 0.93 0.16 -1.77 -0.85 -1.26 0.16 117.35 114.72 1s1i s TYR 14 Ca 0.00 -0.33 -0.12 0.00 -0.52 0.00 0.00 57.07 56.10 1s1i s TYR 14 Cb 0.00 -0.56 0.01 0.00 0.38 0.00 0.00 41.96 41.79 1s1i s TYR 14 CO 0.00 -0.01 0.34 -0.51 -1.52 0.00 0.00 175.55 173.86 1s1i s LEU 15 N -1.00 0.74 -0.31 -3.49 1.43 -0.51 -4.99 118.68 110.55 1s1i s LEU 15 Ca -0.01 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1s1i s LEU 15 Cb -0.07 1.48 0.03 0.00 0.03 0.00 0.00 46.19 47.65 1s1i s LEU 15 CO 0.01 -0.91 0.07 -0.13 0.23 0.00 0.00 176.35 175.62 1s1i s ARG 16 N -3.91 2.82 -0.03 1.70 0.52 -1.26 0.86 118.95 119.64 1s1i s ARG 16 Ca 0.12 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1s1i s ARG 16 Cb 0.02 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1s1i s ARG 16 CO -0.03 -0.55 -0.08 0.00 0.02 0.00 0.00 175.30 174.67 1s1i s ALA 17 N 1.43 2.97 0.86 2.13 0.00 -0.75 -4.94 121.76 123.45 1s1i s ALA 17 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1s1i s ALA 17 Cb -0.18 -1.15 0.11 0.00 0.00 0.00 0.00 23.12 21.90 1s1i s ALA 17 CO 0.02 0.59 1.14 0.08 0.00 0.00 0.00 175.76 177.58 1s1i s VAL 18 N -0.89 2.44 0.07 0.00 1.01 -1.26 -2.27 120.40 119.49 1s1i s VAL 18 Ca 0.15 0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.91 1s1i s VAL 18 Cb -0.11 -2.34 -0.19 0.00 0.00 0.00 0.00 36.38 33.74 1s1i s VAL 18 CO 0.04 -0.18 1.56 1.23 0.00 0.00 0.00 175.10 177.75 1s1i h GLY 19 N -1.55 -1.35 -6.95 4.51 0.00 -1.64 -3.19 103.07 92.91 1s1i h GLY 19 Ca -0.43 0.55 -0.70 0.00 0.00 0.00 0.00 47.33 46.75 1s1i h GLY 19 CO 0.45 -0.45 -0.05 0.61 0.00 0.00 0.00 176.54 177.10 1s1i n GLY 20 N -1.62 4.51 3.04 4.60 0.00 -1.26 -4.63 105.19 109.82 1s1i n GLY 20 Ca -0.15 -2.66 -0.09 0.00 0.00 0.00 0.00 46.02 43.12 1s1i n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s1i s GLU 21 N -1.95 0.41 0.00 1.61 -1.05 -1.21 -5.04 118.70 111.48 1s1i s GLU 21 Ca 0.31 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1s1i s GLU 21 Cb 0.01 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1s1i s GLU 21 CO -0.05 -0.08 0.00 1.55 0.95 0.00 0.00 175.26 177.62 1s1i n VAL 22 N 1.33 0.00 0.32 1.83 3.14 -1.26 -4.71 118.33 118.98 1s1i n VAL 22 Ca -0.22 0.00 0.20 0.00 -2.96 0.00 0.00 64.34 61.36 1s1i n VAL 22 Cb 0.56 0.00 1.10 0.00 -1.06 0.00 0.00 33.84 34.44 1s1i n VAL 22 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1s1i h GLY 23 N 0.00 0.00 -5.57 7.55 0.00 -1.91 -3.43 103.07 99.71 1s1i h GLY 23 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.59 1s1i h GLY 23 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.37 1s1i n ALA 24 N -2.10 -3.27 0.07 3.60 0.00 -1.26 -4.27 120.51 113.29 1s1i n ALA 24 Ca -0.03 0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1s1i n ALA 24 Cb 0.13 -1.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 1s1i n ALA 24 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1s1i h SER 25 N 2.20 -0.13 0.15 0.00 0.02 -1.94 -1.22 113.55 112.64 1s1i h SER 25 Ca -0.42 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.33 1s1i h SER 25 Cb 1.43 0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1s1i h SER 25 CO 0.62 0.13 -0.07 0.00 -1.14 0.00 0.00 176.83 176.37 1s1i h ALA 26 N 0.46 -0.20 0.38 3.77 0.00 -1.99 -2.12 119.26 119.57 1s1i h ALA 26 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s1i h ALA 26 Cb 0.32 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1s1i h ALA 26 CO 0.03 -0.60 -0.18 0.00 0.00 0.00 0.00 179.25 178.49 1s1i h ALA 27 N 0.63 -0.63 0.00 0.00 0.00 -1.95 -3.43 119.26 113.88 1s1i h ALA 27 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s1i h ALA 27 Cb 0.17 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s1i h ALA 27 CO 0.03 -0.59 -0.27 -0.07 0.00 0.00 0.00 179.25 178.35 1s1i h LEU 28 N -0.90 0.00 0.27 0.00 -0.00 -1.27 -3.42 115.31 109.99 1s1i h LEU 28 Ca -0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1s1i h LEU 28 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1s1i h LEU 28 CO 0.09 0.70 -0.14 0.00 -0.00 0.00 0.00 178.44 179.09 1s1i h ALA 29 N -0.87 -0.37 0.00 1.53 0.00 -0.81 -1.17 119.26 117.56 1s1i h ALA 29 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s1i h ALA 29 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s1i h ALA 29 CO -0.01 -0.71 0.00 -1.35 0.00 0.00 0.00 179.25 177.17 1s1i h PRO 30 N -0.38 0.00 0.26 0.00 0.11 -1.85 0.50 132.00 130.64 1s1i h PRO 30 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1s1i h PRO 30 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1s1i h PRO 30 CO 0.05 0.00 -0.13 0.87 -0.21 0.00 0.00 178.00 178.59 1s1i h LYS 31 N 0.00 -0.34 -0.05 1.05 1.79 -1.46 -3.31 116.57 114.25 1s1i h LYS 31 Ca 0.00 0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 1s1i h LYS 31 Cb 0.37 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1s1i h LYS 31 CO 0.00 -0.23 -0.67 -0.84 -1.08 0.00 0.00 179.45 176.63 1s1i h ILE 32 N -0.47 1.41 -0.84 1.86 3.07 -1.62 -3.32 117.51 117.59 1s1i h ILE 32 Ca -0.04 -2.14 0.08 0.00 1.55 0.00 0.00 64.86 64.32 1s1i h ILE 32 Cb 0.27 2.11 -0.07 0.00 -0.27 0.00 0.00 36.82 38.86 1s1i h ILE 32 CO 0.06 0.63 0.50 1.23 -1.05 0.00 0.00 178.15 179.52 1s1i h GLY 33 N 1.55 1.29 2.00 0.16 0.00 -0.11 0.69 103.07 108.65 1s1i h GLY 33 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1s1i h GLY 33 CO 0.10 0.18 0.00 -2.55 0.00 0.00 0.00 176.54 174.27 1s1i h PRO 34 N 0.86 0.00 -0.07 4.80 0.11 -1.66 -3.05 132.00 132.99 1s1i h PRO 34 Ca 0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.41 1s1i h PRO 34 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1s1i h PRO 34 CO -0.22 0.00 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.14 1s1i h LEU 35 N 0.00 0.14 0.00 2.35 3.38 0.24 -3.46 115.31 117.96 1s1i h LEU 35 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1s1i h LEU 35 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s1i h LEU 35 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1s1i n GLY 36 N -0.37 1.32 3.77 0.83 0.00 -1.15 -5.05 105.19 104.53 1s1i n GLY 36 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1s1i n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s1i s LEU 37 N 0.00 3.87 -0.36 0.99 2.96 -1.23 -4.85 118.68 120.07 1s1i s LEU 37 Ca 0.00 2.36 -0.14 0.00 -0.22 0.00 0.00 54.13 56.13 1s1i s LEU 37 Cb 0.00 -4.38 -0.00 0.00 0.50 0.00 0.00 46.19 42.30 1s1i s LEU 37 CO 0.00 -1.20 0.26 -0.55 -1.32 0.00 0.00 176.35 173.54 1s1i s SER 38 N -1.43 6.07 0.23 3.68 0.15 -1.26 -4.52 113.70 116.61 1s1i s SER 38 Ca 0.69 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 1s1i s SER 38 Cb -0.30 -2.14 0.33 0.00 -1.71 0.00 0.00 66.02 62.20 1s1i s SER 38 CO 0.35 -0.31 1.82 -0.65 1.20 0.00 0.00 173.24 175.64 1s1i h PRO 39 N 8.54 0.78 -0.48 5.44 0.11 -1.95 -2.72 132.00 141.72 1s1i h PRO 39 Ca -0.30 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1s1i h PRO 39 Cb 1.14 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1s1i h PRO 39 CO 0.67 0.51 0.28 -0.22 -0.21 0.00 0.00 178.00 179.03 1s1i h LYS 40 N 0.80 0.54 -0.54 1.05 3.11 -1.97 0.14 116.57 119.70 1s1i h LYS 40 Ca 0.36 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.12 1s1i h LYS 40 Cb 0.26 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1s1i h LYS 40 CO -0.21 0.36 0.14 1.57 -2.81 0.00 0.00 179.45 178.50 1s1i h LYS 41 N 0.56 0.86 -0.51 1.90 2.10 -1.92 -2.80 116.57 116.77 1s1i h LYS 41 Ca 0.19 -0.20 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 1s1i h LYS 41 Cb 0.03 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 1s1i h LYS 41 CO -0.09 0.81 -0.04 0.28 -2.00 0.00 0.00 179.45 178.41 1s1i h VAL 42 N 0.76 1.27 -0.29 0.07 2.07 -1.20 0.17 116.25 119.11 1s1i h VAL 42 Ca 0.17 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1s1i h VAL 42 Cb 0.33 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1s1i h VAL 42 CO 0.00 0.40 0.15 1.23 0.02 0.00 0.00 177.57 179.37 1s1i h GLY 43 N 0.78 0.43 0.88 2.17 0.00 -0.56 0.77 103.07 107.54 1s1i h GLY 43 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1s1i h GLY 43 CO 0.03 0.20 -0.07 0.83 0.00 0.00 0.00 176.54 177.53 1s1i h GLU 44 N 0.34 0.56 -0.12 4.80 4.39 -1.45 -0.96 114.58 122.13 1s1i h GLU 44 Ca 0.10 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1s1i h GLU 44 Cb 0.09 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1s1i h GLU 44 CO -0.01 0.75 0.03 -0.44 -1.16 0.00 0.00 179.01 178.18 1s1i h ASP 45 N 0.32 0.18 -0.14 1.42 3.32 -0.50 0.19 116.42 121.21 1s1i h ASP 45 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1s1i h ASP 45 Cb 0.54 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1s1i h ASP 45 CO 0.03 0.36 0.06 0.16 -1.72 0.00 0.00 179.24 178.13 1s1i h ILE 46 N -0.00 1.14 -0.15 0.35 3.07 0.54 -2.03 117.51 120.44 1s1i h ILE 46 Ca 0.04 -0.43 -0.02 0.00 1.55 0.00 0.00 64.86 66.00 1s1i h ILE 46 Cb 0.25 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 1s1i h ILE 46 CO 0.00 0.13 0.01 0.00 -1.05 0.00 0.00 178.15 177.25 1s1i h ALA 47 N 0.91 1.76 0.92 0.16 0.00 -1.00 -2.10 119.26 119.90 1s1i h ALA 47 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1s1i h ALA 47 Cb 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s1i h ALA 47 CO -0.00 0.19 -0.44 -0.22 0.00 0.00 0.00 179.25 178.77 1s1i h LYS 48 N 0.21 -1.19 -0.39 0.00 3.64 0.15 -2.39 116.57 116.60 1s1i h LYS 48 Ca 0.05 0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1s1i h LYS 48 Cb 0.12 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1s1i h LYS 48 CO 0.00 -0.79 -0.18 0.00 -2.27 0.00 0.00 179.45 176.20 1s1i h ALA 49 N -1.22 0.95 0.00 5.00 0.00 -1.48 -2.52 119.26 119.99 1s1i h ALA 49 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1s1i h ALA 49 Cb 0.95 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s1i h ALA 49 CO 0.21 0.61 0.00 2.41 0.00 0.00 0.00 179.25 182.48 1s1i n THR 50 N -4.13 1.31 -0.24 0.00 -1.04 -0.80 -2.34 114.28 107.03 1s1i n THR 50 Ca 0.01 0.33 -0.06 0.00 -2.04 0.00 0.00 64.05 62.28 1s1i n THR 50 Cb 0.40 -1.19 0.04 0.00 -1.82 0.00 0.00 70.33 67.77 1s1i n THR 50 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1s1i h LYS 51 N 0.00 0.96 -0.63 -2.82 2.10 -0.97 -2.99 116.57 112.23 1s1i h LYS 51 Ca 0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1s1i h LYS 51 Cb 0.13 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.25 1s1i h LYS 51 CO 0.00 0.75 0.40 1.05 -2.00 0.00 0.00 179.45 179.65 1s1i h GLU 52 N 0.93 0.84 -4.54 0.07 9.09 -1.69 -3.30 114.58 115.97 1s1i h GLU 52 Ca 0.23 -0.06 -0.70 0.00 0.05 0.00 0.00 59.36 58.87 1s1i h GLU 52 Cb 0.10 -0.18 -0.30 0.00 -1.65 0.00 0.00 28.75 26.72 1s1i h GLU 52 CO -0.03 0.58 -0.54 -0.06 0.05 0.00 0.00 179.01 179.01 1s1i s PHE 53 N -6.06 3.35 0.09 2.06 0.40 -1.13 -5.06 117.98 111.63 1s1i s PHE 53 Ca -0.13 -1.69 0.06 0.00 -0.60 0.00 0.00 56.93 54.57 1s1i s PHE 53 Cb 0.13 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.87 1s1i s PHE 53 CO 0.76 -0.84 -0.08 0.21 0.70 0.00 0.00 175.22 175.98 1s1i s LYS 54 N 1.35 2.25 0.00 0.44 2.47 -1.24 -4.43 119.74 120.59 1s1i s LYS 54 Ca 0.02 -0.96 0.00 0.00 -1.56 0.00 0.00 55.97 53.47 1s1i s LYS 54 Cb -0.22 -2.37 0.00 0.00 -1.46 0.00 0.00 37.83 33.78 1s1i s LYS 54 CO 0.01 0.52 0.00 0.41 0.16 0.00 0.00 175.35 176.45 1s1i n GLY 55 N 0.78 0.78 3.60 5.54 0.00 -1.26 -4.97 105.19 109.67 1s1i n GLY 55 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1s1i n GLY 55 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1i s ILE 56 N -2.93 3.91 -0.37 -0.61 -1.16 -1.26 -4.85 121.20 113.93 1s1i s ILE 56 Ca 0.00 -0.39 -0.28 0.00 -0.51 0.00 0.00 60.65 59.47 1s1i s ILE 56 Cb 0.00 -2.63 0.02 0.00 0.61 0.00 0.00 42.46 40.46 1s1i s ILE 56 CO 0.00 0.59 1.04 -0.75 -2.81 0.00 0.00 174.94 173.01 1s1i s LYS 57 N -0.70 3.92 -0.21 3.50 2.20 -1.26 -1.79 119.74 125.41 1s1i s LYS 57 Ca 0.11 0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 56.48 1s1i s LYS 57 Cb -0.11 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1s1i s LYS 57 CO 0.02 -1.01 -0.02 0.08 -0.36 0.00 0.00 175.35 174.05 1s1i s VAL 58 N 3.75 3.65 0.16 4.02 1.01 -0.96 -4.98 120.40 127.05 1s1i s VAL 58 Ca 0.43 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1s1i s VAL 58 Cb -0.11 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1s1i s VAL 58 CO 0.20 0.42 0.95 0.28 0.00 0.00 0.00 175.10 176.95 1s1i s THR 59 N 1.25 4.33 -0.07 3.92 -1.32 -1.26 -1.81 115.64 120.68 1s1i s THR 59 Ca 0.03 2.07 0.02 0.00 -1.21 0.00 0.00 61.69 62.61 1s1i s THR 59 Cb -0.14 -4.32 -0.02 0.00 -1.51 0.00 0.00 72.50 66.50 1s1i s THR 59 CO -0.00 0.39 -0.14 0.68 -2.21 0.00 0.00 174.62 173.34 1s1i s VAL 60 N -0.49 3.07 -0.56 5.08 -7.23 0.25 -4.51 120.40 116.01 1s1i s VAL 60 Ca 0.44 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 1s1i s VAL 60 Cb -0.24 -2.23 0.15 0.00 0.56 0.00 0.00 36.38 34.62 1s1i s VAL 60 CO 0.31 0.57 0.41 -1.10 -0.31 0.00 0.00 175.10 174.97 1s1i s GLN 61 N -0.43 2.55 0.25 4.82 -0.21 -1.26 -1.43 119.66 123.95 1s1i s GLN 61 Ca 0.05 -2.15 -0.30 0.00 0.02 0.00 0.00 55.36 52.99 1s1i s GLN 61 Cb -0.12 -3.85 -0.09 0.00 1.00 0.00 0.00 33.01 29.95 1s1i s GLN 61 CO 0.02 -1.18 0.95 -0.51 -2.12 0.00 0.00 175.29 172.45 1s1i s LEU 62 N 0.64 4.63 -0.07 2.90 1.43 0.12 -4.01 118.68 124.33 1s1i s LEU 62 Ca 0.12 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 55.22 1s1i s LEU 62 Cb -0.21 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1s1i s LEU 62 CO -0.03 0.14 -0.18 -0.54 0.23 0.00 0.00 176.35 175.96 1s1i s LYS 63 N -1.23 2.27 -0.07 1.70 1.02 -0.18 -1.68 119.74 121.58 1s1i s LYS 63 Ca 0.42 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.81 1s1i s LYS 63 Cb -0.26 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1s1i s LYS 63 CO 0.32 0.14 -0.23 0.42 -0.92 0.00 0.00 175.35 175.08 1s1i s ILE 64 N 0.40 1.92 0.70 2.17 1.01 -1.26 -2.21 121.20 123.94 1s1i s ILE 64 Ca -0.14 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1s1i s ILE 64 Cb -0.16 -1.64 0.13 0.00 0.01 0.00 0.00 42.46 40.80 1s1i s ILE 64 CO 0.06 0.53 0.97 -1.10 0.00 0.00 0.00 174.94 175.39 1s1i s GLN 65 N 0.04 1.73 0.52 2.79 -1.52 -0.56 -4.89 119.66 117.77 1s1i s GLN 65 Ca -0.08 -1.37 0.19 0.00 -1.95 0.00 0.00 55.36 52.15 1s1i s GLN 65 Cb -0.15 -2.41 1.34 0.00 -0.22 0.00 0.00 33.01 31.57 1s1i s GLN 65 CO 0.05 -1.38 2.13 -2.95 -0.25 0.00 0.00 175.29 172.89 1s1i h ASN 66 N -0.39 0.00 0.14 5.90 -1.07 -2.00 0.71 115.58 118.86 1s1i h ASN 66 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.04 1s1i h ASN 66 Cb 1.27 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.52 1s1i h ASN 66 CO 0.38 0.05 -0.03 0.03 0.07 0.00 0.00 177.43 177.94 1s1i h ARG 67 N 0.00 0.00 -0.02 4.14 3.08 -2.01 -3.44 114.38 116.12 1s1i h ARG 67 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1s1i h ARG 67 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1s1i h ARG 67 CO 0.01 0.03 -0.01 1.04 -1.07 0.00 0.00 179.97 179.96 1s1i n GLN 68 N -3.52 -0.31 -1.87 0.04 6.02 0.25 -5.02 117.38 112.96 1s1i n GLN 68 Ca -0.03 0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 1s1i n GLN 68 Cb 0.13 -3.47 0.05 0.00 1.02 0.00 0.00 30.24 27.97 1s1i n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s1i s ALA 69 N -1.88 2.87 0.26 -1.58 0.00 -1.26 -4.54 121.76 115.63 1s1i s ALA 69 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1s1i s ALA 69 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1s1i s ALA 69 CO 0.00 -1.17 0.62 0.00 0.00 0.00 0.00 175.76 175.21 1s1i s ALA 70 N -3.36 -0.84 0.19 0.00 0.00 -1.25 -1.50 121.76 114.99 1s1i s ALA 70 Ca 0.58 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1s1i s ALA 70 Cb -0.11 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1s1i s ALA 70 CO 0.52 -0.96 0.32 0.00 0.00 0.00 0.00 175.76 175.63 1s1i s ALA 71 N -3.96 0.06 0.26 0.00 0.00 -0.94 -4.86 121.76 112.33 1s1i s ALA 71 Ca 0.15 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1s1i s ALA 71 Cb -0.04 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1s1i s ALA 71 CO 0.07 -0.70 0.59 -1.54 0.00 0.00 0.00 175.76 174.19 1s1i s SER 72 N -3.00 -0.17 0.36 0.00 1.04 -1.26 -1.01 113.70 109.66 1s1i s SER 72 Ca 0.21 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.91 1s1i s SER 72 Cb 0.03 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1s1i s SER 72 CO 0.04 -1.23 0.14 0.68 0.98 0.00 0.00 173.24 173.85 1s1i s VAL 73 N -3.97 0.54 0.03 5.02 -7.23 -1.26 -4.91 120.40 108.63 1s1i s VAL 73 Ca 0.17 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.07 1s1i s VAL 73 Cb -0.03 -2.46 -0.17 0.00 0.56 0.00 0.00 36.38 34.28 1s1i s VAL 73 CO 0.08 0.00 1.38 0.58 -0.31 0.00 0.00 175.10 176.83 1s1i h VAL 74 N 1.98 0.61 0.00 1.32 2.07 -1.99 -3.40 116.25 116.85 1s1i h VAL 74 Ca -0.35 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1s1i h VAL 74 Cb 1.26 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1s1i h VAL 74 CO 0.55 0.07 0.00 -0.81 0.02 0.00 0.00 177.57 177.40 1s1i n PRO 75 N -5.22 0.00 0.00 1.57 -0.04 -1.26 -4.60 135.00 125.45 1s1i n PRO 75 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1s1i n PRO 75 Cb 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1s1i n PRO 75 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s1i n SER 76 N 0.00 0.00 -0.11 3.54 7.64 -1.26 -4.72 113.62 118.71 1s1i n SER 76 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1s1i n SER 76 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1s1i n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s1i h ALA 77 N 0.00 0.42 -0.81 -0.43 0.00 -1.99 0.05 119.26 116.50 1s1i h ALA 77 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1s1i h ALA 77 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1s1i h ALA 77 CO 0.00 0.21 0.39 0.66 0.00 0.00 0.00 179.25 180.51 1s1i h SER 78 N 0.36 1.06 -0.37 0.00 4.64 -1.95 0.35 113.55 117.63 1s1i h SER 78 Ca 0.08 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1s1i h SER 78 Cb 0.49 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1s1i h SER 78 CO 0.02 0.90 0.00 0.77 -0.87 0.00 0.00 176.83 177.65 1s1i h SER 79 N 1.15 0.64 -0.55 4.97 4.64 -1.81 -0.46 113.55 122.12 1s1i h SER 79 Ca 0.28 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1s1i h SER 79 Cb 0.12 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1s1i h SER 79 CO -0.04 0.79 0.30 -0.07 -0.87 0.00 0.00 176.83 176.95 1s1i h LEU 80 N 0.47 0.69 -0.73 5.97 3.38 0.06 -0.27 115.31 124.88 1s1i h LEU 80 Ca 0.10 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1s1i h LEU 80 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1s1i h LEU 80 CO 0.02 0.58 0.12 1.62 0.09 0.00 0.00 178.44 180.86 1s1i h VAL 81 N 0.74 1.26 -0.23 1.22 3.04 -0.16 0.52 116.25 122.64 1s1i h VAL 81 Ca 0.19 -1.02 0.02 0.00 -1.01 0.00 0.00 66.70 64.89 1s1i h VAL 81 Cb 0.04 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 29.92 1s1i h VAL 81 CO -0.03 0.38 0.08 0.40 -1.01 0.00 0.00 177.57 177.39 1s1i h ILE 82 N 1.02 0.95 -0.53 3.17 2.04 -0.08 0.11 117.51 124.19 1s1i h ILE 82 Ca 0.20 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 1s1i h ILE 82 Cb 0.42 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1s1i h ILE 82 CO 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 178.15 178.14 1s1i h THR 83 N 0.19 1.27 -0.71 -0.27 1.03 -0.68 0.10 112.91 113.84 1s1i h THR 83 Ca 0.10 -1.18 0.01 0.00 -0.01 0.00 0.00 66.41 65.33 1s1i h THR 83 Cb 0.06 0.96 -0.04 0.00 -1.07 0.00 0.00 68.15 68.06 1s1i h THR 83 CO -0.10 0.42 0.46 0.00 -0.01 0.00 0.00 175.52 176.29 1s1i h ALA 84 N 0.93 0.90 0.00 0.00 0.00 -0.21 0.43 119.26 121.31 1s1i h ALA 84 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1s1i h ALA 84 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s1i h ALA 84 CO 0.04 0.30 -0.22 1.25 0.00 0.00 0.00 179.25 180.61 1s1i h LEU 85 N 0.94 0.00 0.46 0.00 5.85 -0.43 -3.46 115.31 118.67 1s1i h LEU 85 Ca 0.26 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.81 1s1i h LEU 85 Cb -0.09 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1s1i h LEU 85 CO -0.06 0.22 -0.16 0.29 -0.34 0.00 0.00 178.44 178.39 1s1i n LYS 86 N -3.81 -0.61 -5.11 1.25 4.76 0.15 -4.76 118.16 110.03 1s1i n LYS 86 Ca -0.02 0.78 -0.32 0.00 -2.87 0.00 0.00 58.31 55.89 1s1i n LYS 86 Cb 0.32 -4.65 -0.15 0.00 -1.84 0.00 0.00 35.03 28.71 1s1i n LYS 86 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1s1i s GLU 87 N -2.84 2.30 0.18 1.97 0.41 -0.90 -5.01 118.70 114.81 1s1i s GLU 87 Ca 0.00 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1s1i s GLU 87 Cb 0.00 -2.20 0.07 0.00 -1.78 0.00 0.00 34.13 30.21 1s1i s GLU 87 CO 0.00 0.59 1.43 -1.00 -0.49 0.00 0.00 175.26 175.80 1s1i h PRO 88 N 5.42 0.34 -6.35 0.39 0.13 -1.95 -3.40 132.00 126.57 1s1i h PRO 88 Ca -0.45 -0.29 -0.44 0.00 -0.87 0.00 0.00 66.00 63.96 1s1i h PRO 88 Cb 1.14 0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1s1i h PRO 88 CO 0.49 0.94 -0.32 -1.25 -0.23 0.00 0.00 178.00 177.63 1s1i s PRO 89 N -3.53 3.09 0.30 1.56 0.04 -1.26 -5.03 135.00 130.16 1s1i s PRO 89 Ca -0.05 -1.00 0.03 0.00 0.04 0.00 0.00 61.00 60.03 1s1i s PRO 89 Cb 0.10 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1s1i s PRO 89 CO 0.83 0.02 0.46 -0.98 0.04 0.00 0.00 177.00 177.37 1s1i s ARG 90 N -4.21 3.41 0.62 4.56 1.70 -1.26 -5.00 118.95 118.77 1s1i s ARG 90 Ca 0.46 -0.61 -0.18 0.00 -0.47 0.00 0.00 55.73 54.94 1s1i s ARG 90 Cb -0.10 -2.78 -0.02 0.00 -0.57 0.00 0.00 34.95 31.48 1s1i s ARG 90 CO 0.32 0.26 1.19 -0.51 -1.08 0.00 0.00 175.30 175.47 1s1i s ASP 91 N -4.03 5.04 0.09 -2.89 1.01 0.18 -4.90 116.67 111.17 1s1i s ASP 91 Ca 0.38 2.31 -0.20 0.00 0.71 0.00 0.00 52.55 55.74 1s1i s ASP 91 Cb -0.09 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.16 1s1i s ASP 91 CO 0.32 -1.69 1.62 0.03 0.21 0.00 0.00 175.17 175.66 1s1i h ARG 92 N 0.57 0.30 -4.48 8.23 3.08 -1.93 -3.38 114.38 116.77 1s1i h ARG 92 Ca -0.49 -0.06 -0.61 0.00 0.07 0.00 0.00 59.98 58.89 1s1i h ARG 92 Cb 1.29 -0.05 -0.38 0.00 0.08 0.00 0.00 29.97 30.92 1s1i h ARG 92 CO 0.54 0.37 -0.80 -1.59 -1.07 0.00 0.00 179.97 177.43 1s1i s LYS 93 N -5.50 1.83 0.07 0.04 -2.85 -1.26 -5.03 119.74 107.04 1s1i s LYS 93 Ca -0.14 -0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 53.70 1s1i s LYS 93 Cb 0.07 -2.50 -0.12 0.00 -2.06 0.00 0.00 37.83 33.22 1s1i s LYS 93 CO 0.71 -0.51 1.57 1.57 0.10 0.00 0.00 175.35 178.79 1s1i h LYS 94 N 7.96 0.20 0.12 1.78 2.10 -1.76 0.27 116.57 127.23 1s1i h LYS 94 Ca -0.23 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1s1i h LYS 94 Cb 1.08 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1s1i h LYS 94 CO 0.44 0.34 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.74 1s1i h ASP 95 N 0.01 -0.14 -0.17 7.07 3.32 -1.89 -3.23 116.42 121.40 1s1i h ASP 95 Ca 0.04 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1s1i h ASP 95 Cb 0.23 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1s1i h ASP 95 CO -0.00 0.09 -0.16 0.11 -1.72 0.00 0.00 179.24 177.56 1s1i h LYS 96 N -0.37 0.41 -5.85 3.56 1.57 -1.99 -3.42 116.57 110.48 1s1i h LYS 96 Ca -0.02 -0.21 -0.59 0.00 -1.87 0.00 0.00 60.65 57.96 1s1i h LYS 96 Cb 0.30 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1s1i h LYS 96 CO 0.03 0.77 -0.16 -0.80 -0.57 0.00 0.00 179.45 178.72 1s1i s ASN 97 N -6.18 6.74 0.00 0.86 0.02 0.94 -4.90 114.94 112.42 1s1i s ASN 97 Ca -0.14 0.88 0.00 0.00 -1.02 0.00 0.00 52.86 52.59 1s1i s ASN 97 Cb 0.06 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 39.05 1s1i s ASN 97 CO 0.76 0.13 0.00 0.52 0.02 0.00 0.00 177.10 178.54 1s1i n VAL 98 N 2.92 0.00 -0.09 1.60 0.31 -1.26 -4.42 118.33 117.38 1s1i n VAL 98 Ca -0.10 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.37 1s1i n VAL 98 Cb 0.52 -0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.97 1s1i n VAL 98 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1s1i h LYS 99 N 0.00 0.34 -0.41 5.55 1.57 -1.83 0.71 116.57 122.50 1s1i h LYS 99 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1s1i h LYS 99 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1s1i h LYS 99 CO 0.00 0.22 0.22 0.45 -0.57 0.00 0.00 179.45 179.77 1s1i h HIS 100 N 0.35 0.41 0.18 -1.35 3.86 -1.90 -2.95 115.15 113.75 1s1i h HIS 100 Ca 0.29 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1s1i h HIS 100 Cb 0.68 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1s1i h HIS 100 CO -0.00 0.22 -0.09 1.03 0.86 0.00 0.00 177.93 179.95 1s1i h SER 101 N 0.44 -0.22 0.00 2.45 0.87 0.20 -3.49 113.55 113.81 1s1i h SER 101 Ca 0.17 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1s1i h SER 101 Cb 0.06 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1s1i h SER 101 CO -0.11 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 1s1i n GLY 102 N -1.12 -2.30 3.12 5.77 0.00 -0.60 -4.89 105.19 105.16 1s1i n GLY 102 Ca -0.03 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1s1i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1i s ASN 103 N -1.37 0.41 0.06 1.61 0.02 -1.26 -1.65 114.94 112.77 1s1i s ASN 103 Ca 0.00 -1.00 0.01 0.00 -1.02 0.00 0.00 52.86 50.85 1s1i s ASN 103 Cb 0.00 0.24 -0.03 0.00 0.02 0.00 0.00 41.25 41.48 1s1i s ASN 103 CO 0.00 -0.64 -0.06 -0.51 0.02 0.00 0.00 177.10 175.90 1s1i s ILE 104 N -3.94 0.52 0.58 0.60 1.10 0.45 -4.49 121.20 116.02 1s1i s ILE 104 Ca 0.10 -1.44 -0.18 0.00 -0.51 0.00 0.00 60.65 58.62 1s1i s ILE 104 Cb 0.07 -1.05 -0.04 0.00 0.15 0.00 0.00 42.46 41.59 1s1i s ILE 104 CO -0.08 -0.63 1.12 -1.10 -2.11 0.00 0.00 174.94 172.14 1s1i s GLN 105 N -2.61 3.21 0.25 3.50 -0.21 -1.26 -4.30 119.66 118.24 1s1i s GLN 105 Ca -0.01 1.53 -0.04 0.00 0.02 0.00 0.00 55.36 56.86 1s1i s GLN 105 Cb -0.03 -1.99 0.30 0.00 1.00 0.00 0.00 33.01 32.29 1s1i s GLN 105 CO -0.03 -0.95 1.80 -0.07 -2.12 0.00 0.00 175.29 173.92 1s1i h LEU 106 N 0.84 0.91 -1.00 2.90 4.07 -1.97 -1.07 115.31 120.00 1s1i h LEU 106 Ca -0.49 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 57.27 1s1i h LEU 106 Cb 1.25 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 1s1i h LEU 106 CO 0.56 0.85 0.20 -0.78 -1.08 0.00 0.00 178.44 178.19 1s1i h ASP 107 N 0.94 0.85 -0.25 -0.43 1.82 -1.99 -1.74 116.42 115.63 1s1i h ASP 107 Ca 0.21 -0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1s1i h ASP 107 Cb 0.28 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 1s1i h ASP 107 CO -0.01 0.80 0.01 -0.33 -1.61 0.00 0.00 179.24 178.10 1s1i h GLU 108 N 0.90 0.54 -0.93 0.28 5.08 -1.58 0.35 114.58 119.22 1s1i h GLU 108 Ca 0.20 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1s1i h GLU 108 Cb 0.25 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1s1i h GLU 108 CO -0.01 0.56 0.55 0.82 -1.00 0.00 0.00 179.01 179.93 1s1i h ILE 109 N 0.52 1.26 -0.82 3.13 1.08 -0.62 0.55 117.51 122.60 1s1i h ILE 109 Ca 0.11 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1s1i h ILE 109 Cb 0.33 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.00 1s1i h ILE 109 CO 0.01 0.28 0.41 0.40 -0.69 0.00 0.00 178.15 178.55 1s1i h ILE 110 N 1.29 1.25 -0.18 -0.67 2.04 -0.20 0.75 117.51 121.79 1s1i h ILE 110 Ca 0.33 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1s1i h ILE 110 Cb -0.03 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1s1i h ILE 110 CO -0.06 0.30 0.09 -0.33 0.00 0.00 0.00 178.15 178.15 1s1i h GLU 111 N 1.16 0.26 -0.46 2.37 4.39 0.12 0.11 114.58 122.53 1s1i h GLU 111 Ca 0.28 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 1s1i h GLU 111 Cb 0.10 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1s1i h GLU 111 CO -0.04 0.28 0.09 0.82 -1.16 0.00 0.00 179.01 179.00 1s1i h ILE 112 N 0.17 1.24 -0.86 3.13 1.08 -0.65 -0.68 117.51 120.95 1s1i h ILE 112 Ca 0.06 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1s1i h ILE 112 Cb 0.10 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 1s1i h ILE 112 CO -0.01 0.31 0.55 0.00 -0.69 0.00 0.00 178.15 178.31 1s1i h ALA 113 N 0.96 1.09 -0.51 1.87 0.00 -0.53 0.79 119.26 122.94 1s1i h ALA 113 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1s1i h ALA 113 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1s1i h ALA 113 CO 0.01 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 1s1i h ARG 114 N 1.17 0.90 -0.47 0.00 3.08 -0.25 0.22 114.38 119.03 1s1i h ARG 114 Ca 0.31 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1s1i h ARG 114 Cb -0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1s1i h ARG 114 CO -0.06 0.93 -0.16 -0.56 -1.07 0.00 0.00 179.97 179.05 1s1i h GLN 115 N 0.76 0.93 0.00 0.04 3.07 -0.07 -2.70 115.11 117.14 1s1i h GLN 115 Ca 0.14 -0.38 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1s1i h GLN 115 Cb 0.53 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.05 1s1i h GLN 115 CO 0.03 1.04 0.00 1.98 0.09 0.00 0.00 178.83 181.96 1s1i h MET 116 N 0.77 0.00 -0.97 0.06 4.05 -0.80 -3.37 114.93 114.68 1s1i h MET 116 Ca 0.11 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.71 1s1i h MET 116 Cb 0.72 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.43 1s1i h MET 116 CO 0.06 0.00 0.61 0.07 0.23 0.00 0.00 176.91 177.87 1s1i h ARG 117 N 0.00 0.70 -0.57 0.39 -0.00 -0.60 0.69 114.38 115.00 1s1i h ARG 117 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 1s1i h ARG 117 Cb 0.58 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.97 30.36 1s1i h ARG 117 CO 0.00 0.46 0.35 0.38 -0.00 0.00 0.00 179.97 181.17 1s1i h ASP 118 N 0.72 0.66 -0.22 0.08 3.04 -1.79 -1.36 116.42 117.56 1s1i h ASP 118 Ca 0.52 -0.03 -0.18 0.00 -3.24 0.00 0.00 57.03 54.10 1s1i h ASP 118 Cb 0.86 -0.17 -0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1s1i h ASP 118 CO -0.29 0.50 -0.56 0.50 -2.04 0.00 0.00 179.24 177.35 1s1i h LYS 119 N 0.77 0.81 -7.11 4.15 3.64 0.06 -3.45 116.57 115.43 1s1i h LYS 119 Ca 0.21 -0.52 -0.50 0.00 -1.27 0.00 0.00 60.65 58.57 1s1i h LYS 119 Cb -0.05 0.06 0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1s1i h LYS 119 CO -0.04 1.15 0.26 0.45 -2.27 0.00 0.00 179.45 179.00 1s1i s SER 120 N -6.95 6.33 -0.56 4.20 0.15 -0.51 -5.00 113.70 111.35 1s1i s SER 120 Ca -0.10 1.22 0.06 0.00 0.70 0.00 0.00 55.95 57.83 1s1i s SER 120 Cb 0.10 -2.37 0.33 0.00 -1.71 0.00 0.00 66.02 62.37 1s1i s SER 120 CO 0.88 -0.67 0.90 0.33 1.20 0.00 0.00 173.24 175.89 1s1i n PHE 121 N -2.23 3.57 -3.22 3.44 7.35 -1.26 -4.85 117.46 120.26 1s1i n PHE 121 Ca 0.04 -3.99 -0.33 0.00 -0.76 0.00 0.00 57.45 52.40 1s1i n PHE 121 Cb 0.54 -0.49 -0.06 0.00 0.35 0.00 0.00 39.48 39.83 1s1i n PHE 121 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1s1i s GLY 122 N -3.23 2.38 0.14 7.13 0.00 -1.26 -4.97 107.32 107.51 1s1i s GLY 122 Ca 0.47 -0.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.04 1s1i s GLY 122 CO -0.12 0.20 1.53 3.21 0.00 0.00 0.00 173.10 177.92 1s1i h ARG 123 N 2.66 0.85 -4.95 2.90 3.08 -1.96 -3.47 114.38 113.49 1s1i h ARG 123 Ca -0.48 -0.35 -0.39 0.00 0.07 0.00 0.00 59.98 58.83 1s1i h ARG 123 Cb 1.18 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.05 1s1i h ARG 123 CO 0.66 0.99 -0.60 0.95 -1.07 0.00 0.00 179.97 180.90 1s1i s THR 124 N -4.71 0.63 0.31 2.04 -4.23 -1.26 -5.01 115.64 103.41 1s1i s THR 124 Ca -0.12 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1s1i s THR 124 Cb 0.11 -2.63 0.17 0.00 1.34 0.00 0.00 72.50 71.48 1s1i s THR 124 CO 0.84 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 177.03 1s1i h LEU 125 N 2.28 0.67 -0.65 4.79 7.12 -1.99 -0.50 115.31 127.03 1s1i h LEU 125 Ca -0.38 -0.11 -0.03 0.00 0.13 0.00 0.00 57.88 57.49 1s1i h LEU 125 Cb 1.25 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 1s1i h LEU 125 CO 0.61 0.67 0.29 0.00 -0.13 0.00 0.00 178.44 179.87 1s1i h ALA 126 N 1.42 0.84 -0.70 1.25 0.00 -1.99 -0.86 119.26 119.23 1s1i h ALA 126 Ca 0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1s1i h ALA 126 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s1i h ALA 126 CO -0.00 0.43 0.17 1.03 0.00 0.00 0.00 179.25 180.88 1s1i h SER 127 N 0.90 1.06 -0.65 0.00 0.87 -1.61 -1.04 113.55 113.08 1s1i h SER 127 Ca 0.22 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1s1i h SER 127 Cb 0.16 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1s1i h SER 127 CO -0.02 1.02 0.08 -0.37 -0.53 0.00 0.00 176.83 177.01 1s1i h VAL 128 N 1.05 1.26 -0.70 2.23 -1.51 -0.67 -0.63 116.25 117.29 1s1i h VAL 128 Ca 0.22 -1.07 -0.06 0.00 -1.23 0.00 0.00 66.70 64.57 1s1i h VAL 128 Cb 0.37 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.16 1s1i h VAL 128 CO 0.00 0.40 0.21 0.71 -1.23 0.00 0.00 177.57 177.66 1s1i h THR 129 N 1.03 1.25 -0.56 7.19 1.35 -0.75 -0.87 112.91 121.56 1s1i h THR 129 Ca 0.20 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 1s1i h THR 129 Cb 0.47 0.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 1s1i h THR 129 CO 0.02 0.35 0.21 0.11 -0.25 0.00 0.00 175.52 175.95 1s1i h LYS 130 N 1.04 0.81 -0.22 4.72 1.79 -0.54 0.24 116.57 124.42 1s1i h LYS 130 Ca 0.23 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1s1i h LYS 130 Cb 0.30 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1s1i h LYS 130 CO -0.01 0.68 0.08 1.49 -1.08 0.00 0.00 179.45 180.61 1s1i h GLU 131 N 0.80 0.33 -0.48 3.15 4.57 0.17 -1.38 114.58 121.75 1s1i h GLU 131 Ca 0.19 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1s1i h GLU 131 Cb 0.18 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1s1i h GLU 131 CO -0.02 0.41 -0.01 0.82 -1.18 0.00 0.00 179.01 179.03 1s1i h ILE 132 N 0.19 1.24 -0.43 2.32 2.04 -0.71 -1.88 117.51 120.29 1s1i h ILE 132 Ca 0.07 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1s1i h ILE 132 Cb 0.21 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1s1i h ILE 132 CO -0.00 0.36 0.22 0.25 0.00 0.00 0.00 178.15 178.98 1s1i h LEU 133 N 0.74 0.52 -0.86 1.44 5.85 -0.16 -0.27 115.31 122.57 1s1i h LEU 133 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1s1i h LEU 133 Cb 0.47 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1s1i h LEU 133 CO 0.02 0.43 0.54 1.23 -0.34 0.00 0.00 178.44 180.31 1s1i h GLY 134 N 0.67 1.23 0.98 3.75 0.00 -0.41 0.31 103.07 109.60 1s1i h GLY 134 Ca 0.15 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1s1i h GLY 134 CO -0.02 0.48 0.04 -0.84 0.00 0.00 0.00 176.54 176.20 1s1i h THR 135 N 1.17 1.25 -0.69 4.70 2.02 -1.00 -2.64 112.91 117.73 1s1i h THR 135 Ca 0.31 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1s1i h THR 135 Cb -0.08 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1s1i h THR 135 CO -0.06 0.34 0.30 0.00 0.37 0.00 0.00 175.52 176.47 1s1i h ALA 136 N 0.94 1.23 -0.76 6.16 0.00 -0.38 -1.32 119.26 125.13 1s1i h ALA 136 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s1i h ALA 136 Cb 0.44 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1s1i h ALA 136 CO 0.02 0.57 0.44 1.96 0.00 0.00 0.00 179.25 182.24 1s1i h GLN 137 N 0.99 1.04 -0.31 0.00 4.20 -0.08 -1.60 115.11 119.34 1s1i h GLN 137 Ca 0.24 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1s1i h GLN 137 Cb 0.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1s1i h GLN 137 CO -0.03 0.74 -0.30 0.66 -0.67 0.00 0.00 178.83 179.24 1s1i h SER 138 N 1.05 0.68 1.25 1.46 4.64 -0.95 -3.02 113.55 118.66 1s1i h SER 138 Ca 0.27 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1s1i h SER 138 Cb -0.01 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1s1i h SER 138 CO -0.05 0.94 -0.03 1.62 -0.87 0.00 0.00 176.83 178.44 1s1i h VAL 139 N 0.56 0.08 0.00 0.95 3.04 -0.73 -3.39 116.25 116.76 1s1i h VAL 139 Ca 0.07 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1s1i h VAL 139 Cb 0.80 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1s1i h VAL 139 CO 0.07 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 1s1i n GLY 140 N 0.32 0.68 3.64 3.17 0.00 -0.73 0.48 105.19 112.75 1s1i n GLY 140 Ca 0.01 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1s1i n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ARG 142 N 1.32 3.58 0.00 0.00 3.52 -0.66 -4.23 118.95 122.48 1s1i s ARG 142 Ca 0.08 -0.07 0.24 0.00 -0.13 0.00 0.00 55.73 55.85 1s1i s ARG 142 Cb -0.14 -2.62 0.21 0.00 -1.56 0.00 0.00 34.95 30.84 1s1i s ARG 142 CO 0.07 0.15 1.27 1.55 -0.81 0.00 0.00 175.30 177.53