#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqi n VAL 15 N 0.00 1.60 -2.38 0.52 0.31 -1.26 -4.91 118.33 112.20 1xqi n VAL 15 Ca 0.00 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.58 1xqi n VAL 15 Cb 0.00 -0.46 -0.02 0.00 -0.91 0.00 0.00 33.84 32.46 1xqi n VAL 15 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xqi s GLU 16 N -0.95 3.63 0.06 5.55 2.12 -1.26 -4.85 118.70 123.01 1xqi s GLU 16 Ca 0.67 1.55 0.03 0.00 0.36 0.00 0.00 54.97 57.57 1xqi s GLU 16 Cb -0.88 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1xqi s GLU 16 CO 0.57 -0.61 -0.09 0.15 -0.54 0.00 0.00 175.26 174.74 1xqi s LYS 17 N -3.11 0.64 0.04 4.30 1.02 -1.26 -1.80 119.74 119.57 1xqi s LYS 17 Ca 0.68 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 1xqi s LYS 17 Cb -0.22 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.70 1xqi s LYS 17 CO 0.26 0.06 0.05 -0.08 -0.92 0.00 0.00 175.35 174.72 1xqi s THR 18 N -1.79 0.15 -0.11 2.17 -1.32 0.59 -4.70 115.64 110.64 1xqi s THR 18 Ca -0.04 -1.24 -0.03 0.00 -1.21 0.00 0.00 61.69 59.17 1xqi s THR 18 Cb -0.07 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1xqi s THR 18 CO -0.00 -0.68 0.01 -0.22 -2.21 0.00 0.00 174.62 171.52 1xqi s LEU 19 N -2.24 3.60 -0.02 9.08 0.20 -1.26 -0.78 118.68 127.26 1xqi s LEU 19 Ca -0.03 0.11 0.05 0.00 0.69 0.00 0.00 54.13 54.94 1xqi s LEU 19 Cb -0.00 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 1xqi s LEU 19 CO -0.06 0.32 -0.16 -0.22 -0.29 0.00 0.00 176.35 175.94 1xqi s LEU 20 N -0.51 2.01 -0.09 -0.68 2.96 -1.26 -2.33 118.68 118.78 1xqi s LEU 20 Ca 0.09 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1xqi s LEU 20 Cb -0.12 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.76 1xqi s LEU 20 CO 0.02 0.18 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.43 1xqi s ILE 21 N -0.31 1.61 -0.38 6.68 1.01 -0.60 -4.36 121.20 124.85 1xqi s ILE 21 Ca 0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1xqi s ILE 21 Cb -0.07 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1xqi s ILE 21 CO -0.00 0.46 0.85 -0.76 0.00 0.00 0.00 174.94 175.49 1xqi s LEU 22 N 0.60 4.08 0.86 2.97 1.43 0.12 -1.68 118.68 127.05 1xqi s LEU 22 Ca -0.15 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1xqi s LEU 22 Cb -0.17 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 43.04 1xqi s LEU 22 CO 0.05 -0.83 1.09 -0.54 0.23 0.00 0.00 176.35 176.35 1xqi s LYS 23 N 3.32 1.56 0.40 1.70 1.02 -0.46 -1.22 119.74 126.07 1xqi s LYS 23 Ca 0.34 0.87 0.10 0.00 0.02 0.00 0.00 55.97 57.30 1xqi s LYS 23 Cb -0.12 -1.84 0.90 0.00 -0.52 0.00 0.00 37.83 36.25 1xqi s LYS 23 CO 0.19 -2.04 1.97 -1.35 -0.92 0.00 0.00 175.35 173.20 1xqi h PRO 24 N -1.41 0.54 0.19 -1.68 0.11 -1.82 -1.71 132.00 126.23 1xqi h PRO 24 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1xqi h PRO 24 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xqi h PRO 24 CO 0.55 0.36 -0.09 0.38 -0.21 0.00 0.00 178.00 178.98 1xqi h ASP 25 N 0.56 -0.22 -0.65 -2.05 -0.00 -1.91 -0.39 116.42 111.76 1xqi h ASP 25 Ca 0.29 -0.20 0.13 0.00 -0.00 0.00 0.00 57.03 57.25 1xqi h ASP 25 Cb 0.40 0.06 -0.12 0.00 -0.00 0.00 0.00 39.33 39.66 1xqi h ASP 25 CO -0.09 0.08 -0.21 0.00 -0.00 0.00 0.00 179.24 179.02 1xqi h ALA 26 N 0.20 0.32 -0.08 4.15 0.00 -1.67 0.20 119.26 122.38 1xqi h ALA 26 Ca -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xqi h ALA 26 Cb 0.40 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xqi h ALA 26 CO 0.04 -0.49 0.02 0.28 0.00 0.00 0.00 179.25 179.10 1xqi h VAL 27 N -0.05 1.20 -0.38 0.00 2.07 -1.29 -1.89 116.25 115.92 1xqi h VAL 27 Ca 0.30 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1xqi h VAL 27 Cb 0.51 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1xqi h VAL 27 CO -0.69 0.18 0.26 0.00 0.02 0.00 0.00 177.57 177.34 1xqi h ALA 28 N 0.79 1.94 -0.01 1.67 0.00 -0.18 -1.13 119.26 122.35 1xqi h ALA 28 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xqi h ALA 28 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xqi h ALA 28 CO 0.00 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1xqi n ARG 29 N -4.48 1.16 -1.69 0.00 1.74 0.62 -4.93 116.66 109.09 1xqi n ARG 29 Ca 0.04 -0.23 -0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1xqi n ARG 29 Cb 0.21 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1xqi n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqi n GLY 30 N 1.00 0.37 0.51 -0.13 0.00 -0.43 -4.97 105.19 101.55 1xqi n GLY 30 Ca 0.21 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1xqi n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xqi n LEU 31 N -0.00 1.62 -0.01 0.99 4.77 -0.71 -4.25 117.00 119.40 1xqi n LEU 31 Ca -0.00 -0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 1xqi n LEU 31 Cb 0.34 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1xqi n LEU 31 CO 0.00 0.27 0.78 0.58 -1.33 0.00 0.00 177.39 177.70 1xqi h VAL 32 N 2.49 0.67 -0.10 4.08 2.07 -1.86 -0.61 116.25 122.99 1xqi h VAL 32 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1xqi h VAL 32 Cb 0.56 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1xqi h VAL 32 CO 0.00 0.00 -0.62 -2.24 0.02 0.00 0.00 177.57 174.73 1xqi h ASP 33 N -0.12 0.41 -0.58 0.57 2.03 -1.98 0.27 116.42 117.02 1xqi h ASP 33 Ca 0.10 -0.24 -0.08 0.00 -0.73 0.00 0.00 57.03 56.07 1xqi h ASP 33 Cb 0.26 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1xqi h ASP 33 CO -0.23 0.93 0.05 -0.33 -1.03 0.00 0.00 179.24 178.63 1xqi h GLU 34 N 0.27 0.99 -0.21 4.15 5.08 -1.75 -0.17 114.58 122.93 1xqi h GLU 34 Ca -0.01 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 1xqi h GLU 34 Cb 1.15 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1xqi h GLU 34 CO 0.10 0.96 -0.60 0.82 -1.00 0.00 0.00 179.01 179.29 1xqi h ILE 35 N 0.88 1.30 -0.75 3.13 2.04 -1.00 -3.01 117.51 120.10 1xqi h ILE 35 Ca 0.17 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 1xqi h ILE 35 Cb 0.49 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1xqi h ILE 35 CO 0.02 0.58 0.36 0.40 0.00 0.00 0.00 178.15 179.51 1xqi h ILE 36 N 0.53 1.23 -0.48 -0.67 2.04 -0.69 -2.73 117.51 116.75 1xqi h ILE 36 Ca -0.00 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1xqi h ILE 36 Cb 1.19 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1xqi h ILE 36 CO 0.12 0.28 0.24 -1.28 0.00 0.00 0.00 178.15 177.51 1xqi h SER 37 N 1.06 0.59 -0.46 1.72 0.87 -0.91 -2.05 113.55 114.38 1xqi h SER 37 Ca 0.26 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1xqi h SER 37 Cb 0.10 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1xqi h SER 37 CO -0.03 0.50 -0.16 0.03 -0.53 0.00 0.00 176.83 176.63 1xqi h ARG 38 N 0.67 0.95 -0.25 2.24 3.08 -1.39 -1.84 114.38 117.84 1xqi h ARG 38 Ca 0.17 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 1xqi h ARG 38 Cb 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xqi h ARG 38 CO -0.03 1.03 -0.25 0.74 -1.07 0.00 0.00 179.97 180.40 1xqi h PHE 39 N 0.83 0.73 -0.39 3.04 0.05 -1.37 -2.91 116.94 116.94 1xqi h PHE 39 Ca 0.12 -0.22 0.07 0.00 3.82 0.00 0.00 57.97 61.77 1xqi h PHE 39 Cb 0.71 -0.15 -0.07 0.00 2.00 0.00 0.00 35.95 38.44 1xqi h PHE 39 CO 0.04 0.93 -0.02 -0.22 -0.18 0.00 0.00 178.31 178.87 1xqi h LYS 40 N 0.33 0.08 0.00 1.51 3.64 -1.41 -1.70 116.57 119.02 1xqi h LYS 40 Ca 0.04 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1xqi h LYS 40 Cb 0.81 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1xqi h LYS 40 CO 0.06 0.05 -0.19 0.87 -2.27 0.00 0.00 179.45 177.97 1xqi h LYS 41 N 0.08 0.00 0.00 1.90 1.57 -1.29 -1.36 116.57 117.47 1xqi h LYS 41 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xqi h LYS 41 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xqi h LYS 41 CO -0.34 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.73 1xqi h ALA 42 N 1.81 1.00 0.00 3.86 0.00 -1.13 -3.47 119.26 121.33 1xqi h ALA 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xqi h ALA 42 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xqi h ALA 42 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1xqi n GLY 43 N 0.98 1.20 3.83 0.00 0.00 -0.51 -5.12 105.19 105.58 1xqi n GLY 43 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1xqi n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xqi s LEU 44 N 0.00 4.48 -0.05 0.99 1.43 -0.82 -4.87 118.68 119.84 1xqi s LEU 44 Ca 0.00 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1xqi s LEU 44 Cb 0.00 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1xqi s LEU 44 CO 0.00 0.30 0.40 -1.59 0.23 0.00 0.00 176.35 175.68 1xqi s LYS 45 N -1.15 4.04 -0.30 1.70 0.00 -0.63 -4.22 119.74 119.18 1xqi s LYS 45 Ca 0.26 0.35 -0.29 0.00 0.00 0.00 0.00 55.97 56.29 1xqi s LYS 45 Cb -0.17 -3.30 0.00 0.00 0.00 0.00 0.00 37.83 34.36 1xqi s LYS 45 CO 0.15 0.51 1.31 0.42 0.00 0.00 0.00 175.35 177.75 1xqi s ILE 46 N -0.48 4.12 -1.50 3.79 1.01 -1.26 -1.63 121.20 125.25 1xqi s ILE 46 Ca 0.23 1.27 0.17 0.00 0.00 0.00 0.00 60.65 62.31 1xqi s ILE 46 Cb -0.16 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1xqi s ILE 46 CO 0.11 -0.48 0.88 1.33 0.00 0.00 0.00 174.94 176.78 1xqi n VAL 47 N 6.23 0.00 -3.67 2.92 0.24 -0.14 -4.96 118.33 118.95 1xqi n VAL 47 Ca 0.15 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 1xqi n VAL 47 Cb 0.47 1.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.94 1xqi n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xqi s ALA 48 N -2.02 -1.19 -0.26 2.33 0.00 -1.23 -1.98 121.76 117.41 1xqi s ALA 48 Ca 0.14 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 1xqi s ALA 48 Cb 0.14 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1xqi s ALA 48 CO 0.45 -0.29 0.65 -1.17 0.00 0.00 0.00 175.76 175.40 1xqi s LEU 49 N -0.95 -0.72 0.00 0.00 0.20 -1.26 -1.46 118.68 114.49 1xqi s LEU 49 Ca -0.10 1.39 0.00 0.00 0.69 0.00 0.00 54.13 56.11 1xqi s LEU 49 Cb -0.03 2.23 0.00 0.00 -0.43 0.00 0.00 46.19 47.95 1xqi s LEU 49 CO 0.05 -0.23 0.00 2.29 -0.29 0.00 0.00 176.35 178.17 1xqi n LYS 50 N 3.82 0.00 0.00 1.98 2.85 -0.37 -5.01 118.16 121.43 1xqi n LYS 50 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1xqi n LYS 50 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1xqi n LYS 50 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1xqi n VAL 52 N 0.00 0.00 -3.21 0.58 0.24 -0.57 -1.46 118.33 113.91 1xqi n VAL 52 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1xqi n VAL 52 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 1xqi n VAL 52 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1xqi s LYS 53 N -1.74 3.15 0.22 7.34 -0.14 -1.26 -0.41 119.74 126.89 1xqi s LYS 53 Ca 0.00 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 1xqi s LYS 53 Cb 0.00 -4.02 -0.09 0.00 -1.68 0.00 0.00 37.83 32.04 1xqi s LYS 53 CO 0.00 -1.04 0.92 0.00 -0.76 0.00 0.00 175.35 174.47 1xqi s ALA 54 N 2.48 3.34 0.49 5.17 0.00 -1.26 -5.05 121.76 126.93 1xqi s ALA 54 Ca 0.16 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1xqi s ALA 54 Cb -0.17 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1xqi s ALA 54 CO 0.14 0.19 1.01 -1.54 0.00 0.00 0.00 175.76 175.57 1xqi s SER 55 N -1.05 6.44 0.32 0.00 1.04 -1.26 -4.77 113.70 114.41 1xqi s SER 55 Ca 0.41 1.81 0.08 0.00 0.48 0.00 0.00 55.95 58.73 1xqi s SER 55 Cb -0.25 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.22 1xqi s SER 55 CO 0.31 -0.71 1.66 -0.65 0.98 0.00 0.00 173.24 174.83 1xqi h PRO 56 N 1.40 0.27 -0.30 4.02 0.11 -1.94 -2.18 132.00 133.38 1xqi h PRO 56 Ca -0.49 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1xqi h PRO 56 Cb 1.21 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1xqi h PRO 56 CO 0.60 0.18 -0.29 1.49 -0.21 0.00 0.00 178.00 179.76 1xqi h GLU 57 N 0.28 -0.27 -0.68 1.05 4.22 -1.99 -1.14 114.58 116.06 1xqi h GLU 57 Ca 0.65 0.02 0.09 0.00 0.08 0.00 0.00 59.36 60.19 1xqi h GLU 57 Cb 1.39 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.63 1xqi h GLU 57 CO -0.63 -0.18 0.33 0.93 -2.18 0.00 0.00 179.01 177.28 1xqi h GLU 58 N -0.28 0.55 -0.26 1.92 5.08 -1.78 -2.09 114.58 117.72 1xqi h GLU 58 Ca 0.15 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1xqi h GLU 58 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xqi h GLU 58 CO -0.45 0.36 -0.32 0.82 -1.00 0.00 0.00 179.01 178.42 1xqi h ILE 59 N 0.56 1.28 -0.55 3.13 1.08 -1.04 -0.57 117.51 121.41 1xqi h ILE 59 Ca 0.33 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 1xqi h ILE 59 Cb 0.35 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 1xqi h ILE 59 CO -0.27 0.45 0.31 -0.33 -0.69 0.00 0.00 178.15 177.62 1xqi h GLU 60 N 0.48 0.58 0.00 2.37 5.08 -0.84 -2.41 114.58 119.84 1xqi h GLU 60 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1xqi h GLU 60 Cb 0.79 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xqi h GLU 60 CO 0.06 0.38 -0.49 0.00 -1.00 0.00 0.00 179.01 177.97 1xqi h ARG 61 N 0.60 0.00 0.38 2.33 3.08 -1.07 -3.34 114.38 116.36 1xqi h ARG 61 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1xqi h ARG 61 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1xqi h ARG 61 CO -0.14 0.32 -0.18 0.35 -1.07 0.00 0.00 179.97 179.25 1xqi h PHE 62 N 0.00 -0.48 -3.96 3.04 3.04 -0.84 -3.43 116.94 114.32 1xqi h PHE 62 Ca -0.02 -0.01 -0.50 0.00 3.98 0.00 0.00 57.97 61.42 1xqi h PHE 62 Cb 1.28 0.16 0.05 0.00 2.56 0.00 0.00 35.95 39.99 1xqi h PHE 62 CO 0.00 -0.23 0.48 0.71 -2.02 0.00 0.00 178.31 177.26 1xqi s TYR 63 N -5.60 3.07 1.12 0.41 1.51 -0.93 -4.99 117.35 111.95 1xqi s TYR 63 Ca -0.15 1.57 -0.13 0.00 -1.01 0.00 0.00 57.07 57.35 1xqi s TYR 63 Cb 0.04 -3.34 0.26 0.00 -0.11 0.00 0.00 41.96 38.81 1xqi s TYR 63 CO 0.61 -1.21 1.05 -1.25 -1.11 0.00 0.00 175.55 173.63 1xqi s PRO 64 N -2.41 -0.58 -0.01 -1.71 0.05 -1.26 -4.90 135.00 124.19 1xqi s PRO 64 Ca 0.58 0.65 0.01 0.00 0.05 0.00 0.00 61.00 62.29 1xqi s PRO 64 Cb -0.29 -1.61 0.01 0.00 0.05 0.00 0.00 34.50 32.67 1xqi s PRO 64 CO 0.36 -3.44 0.71 0.43 0.05 0.00 0.00 177.00 175.10 1xqi n SER 65 N -4.69 0.49 -4.72 6.66 7.64 -1.26 -4.93 113.62 112.81 1xqi n SER 65 Ca 0.04 -1.46 -0.36 0.00 1.01 0.00 0.00 58.87 58.10 1xqi n SER 65 Cb 0.56 -0.06 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 1xqi n SER 65 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xqi n SER 66 N -0.17 1.75 -0.22 6.43 3.41 -1.26 -4.91 113.62 118.65 1xqi n SER 66 Ca 0.01 0.75 -0.09 0.00 -0.26 0.00 0.00 58.87 59.28 1xqi n SER 66 Cb 0.50 -1.54 0.03 0.00 -0.26 0.00 0.00 64.21 62.93 1xqi n SER 66 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1xqi h GLU 67 N 0.07 1.08 -0.48 4.33 4.81 -1.99 -2.55 114.58 119.86 1xqi h GLU 67 Ca -0.49 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 58.49 1xqi h GLU 67 Cb 1.33 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 1xqi h GLU 67 CO 0.51 1.03 0.14 1.49 -0.73 0.00 0.00 179.01 181.44 1xqi h GLU 68 N 0.99 0.28 -0.22 1.92 4.81 -1.99 0.15 114.58 120.53 1xqi h GLU 68 Ca 0.18 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1xqi h GLU 68 Cb 0.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1xqi h GLU 68 CO 0.02 0.19 0.02 2.35 -0.73 0.00 0.00 179.01 180.86 1xqi h TRP 69 N 0.29 0.40 0.30 0.92 7.01 -1.93 0.11 115.95 123.05 1xqi h TRP 69 Ca 0.23 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1xqi h TRP 69 Cb 0.28 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1xqi h TRP 69 CO -0.19 0.53 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.78 1xqi h LEU 70 N 0.15 -0.35 -0.38 0.65 3.38 -1.00 0.14 115.31 117.90 1xqi h LEU 70 Ca 0.06 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1xqi h LEU 70 Cb 0.36 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1xqi h LEU 70 CO 0.01 -0.22 -0.26 -0.61 0.09 0.00 0.00 178.44 177.44 1xqi h GLN 71 N -0.44 -0.20 -0.53 1.13 4.15 -0.76 -0.09 115.11 118.38 1xqi h GLN 71 Ca -0.04 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1xqi h GLN 71 Cb 0.33 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1xqi h GLN 71 CO 0.07 -0.13 -0.14 0.66 -1.93 0.00 0.00 178.83 177.35 1xqi h SER 72 N -0.21 1.03 -0.29 -0.69 4.64 -0.65 -1.43 113.55 115.95 1xqi h SER 72 Ca 0.18 -0.36 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1xqi h SER 72 Cb 0.49 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1xqi h SER 72 CO -0.50 1.16 0.20 0.00 -0.87 0.00 0.00 176.83 176.82 1xqi h ALA 73 N 0.92 1.99 0.01 5.18 0.00 -0.83 -3.10 119.26 123.43 1xqi h ALA 73 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xqi h ALA 73 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xqi h ALA 73 CO 0.05 -0.05 -0.00 0.78 0.00 0.00 0.00 179.25 180.04 1xqi h GLY 74 N 0.23 -0.01 0.66 0.00 0.00 0.05 -3.23 103.07 100.77 1xqi h GLY 74 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.52 1xqi h GLY 74 CO -0.02 -0.00 0.28 1.46 0.00 0.00 0.00 176.54 178.26 1xqi h GLN 75 N -0.30 0.52 -0.76 4.80 4.20 -1.42 -1.46 115.11 120.69 1xqi h GLN 75 Ca -0.00 -0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.85 1xqi h GLN 75 Cb 0.29 -0.12 -0.13 0.00 0.30 0.00 0.00 27.48 27.83 1xqi h GLN 75 CO 0.00 0.34 0.03 0.87 -0.67 0.00 0.00 178.83 179.41 1xqi h LYS 76 N 0.54 0.11 0.00 1.46 1.79 -1.56 0.30 116.57 119.21 1xqi h LYS 76 Ca 0.26 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.53 1xqi h LYS 76 Cb 0.18 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1xqi h LYS 76 CO -0.19 0.08 -0.85 1.25 -1.08 0.00 0.00 179.45 178.66 1xqi h LEU 77 N 0.12 0.11 -0.12 2.94 5.85 -1.49 -1.41 115.31 121.32 1xqi h LEU 77 Ca 0.42 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1xqi h LEU 77 Cb 0.75 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1xqi h LEU 77 CO -0.66 0.91 0.00 -0.07 -0.34 0.00 0.00 178.44 178.28 1xqi h LEU 78 N 0.05 0.20 -0.41 2.25 3.38 -0.19 0.12 115.31 120.71 1xqi h LEU 78 Ca -0.02 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.73 1xqi h LEU 78 Cb 1.48 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 1xqi h LEU 78 CO 0.12 0.45 -0.10 0.11 0.09 0.00 0.00 178.44 179.11 1xqi h LYS 79 N -0.06 0.00 0.04 1.13 1.57 -0.41 -2.35 116.57 116.49 1xqi h LYS 79 Ca 0.03 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1xqi h LYS 79 Cb 0.35 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1xqi h LYS 79 CO 0.01 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.56 1xqi h ALA 80 N 1.41 -0.52 -0.74 3.86 0.00 -1.12 -2.94 119.26 119.21 1xqi h ALA 80 Ca 0.20 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1xqi h ALA 80 Cb 0.30 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1xqi h ALA 80 CO -0.42 -0.86 0.49 1.88 0.00 0.00 0.00 179.25 180.34 1xqi h TYR 81 N -0.51 0.50 0.65 0.00 0.99 -0.29 -2.32 116.97 115.99 1xqi h TYR 81 Ca 0.05 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 1xqi h TYR 81 Cb 0.58 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.15 1xqi h TYR 81 CO -0.33 0.20 -0.36 1.96 -0.00 0.00 0.00 178.16 179.63 1xqi h GLN 82 N 0.43 -0.90 -0.99 4.88 4.20 -1.26 0.67 115.11 122.15 1xqi h GLN 82 Ca 0.36 0.06 0.19 0.00 0.06 0.00 0.00 58.65 59.32 1xqi h GLN 82 Cb 0.78 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 28.66 1xqi h GLN 82 CO -0.12 -0.60 0.59 0.93 -0.67 0.00 0.00 178.83 178.96 1xqi h GLU 83 N -0.93 0.72 -0.01 1.46 5.08 -1.36 0.12 114.58 119.66 1xqi h GLU 83 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1xqi h GLU 83 Cb 0.74 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xqi h GLU 83 CO 0.11 0.47 -0.02 1.28 -1.00 0.00 0.00 179.01 179.85 1xqi n LEU 84 N -4.79 0.68 -2.70 1.33 7.99 -1.02 -4.95 117.00 113.54 1xqi n LEU 84 Ca 0.23 -0.20 -0.20 0.00 -0.01 0.00 0.00 56.01 55.83 1xqi n LEU 84 Cb 0.57 -0.03 0.03 0.00 -0.11 0.00 0.00 43.42 43.87 1xqi n LEU 84 CO 0.21 0.12 -0.02 0.61 -1.51 0.00 0.00 177.39 176.79 1xqi n GLY 85 N 1.12 -0.41 3.65 -0.72 0.00 0.41 -5.00 105.19 104.23 1xqi n GLY 85 Ca 0.20 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1xqi n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqi s ILE 86 N -3.11 5.08 -0.36 -0.61 1.01 0.23 -5.00 121.20 118.45 1xqi s ILE 86 Ca 0.25 0.97 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 1xqi s ILE 86 Cb -0.11 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1xqi s ILE 86 CO 0.31 0.14 1.26 -0.62 0.00 0.00 0.00 174.94 176.03 1xqi s ASP 87 N 1.26 6.64 0.38 3.58 3.68 -1.26 -4.31 116.67 126.63 1xqi s ASP 87 Ca 0.24 0.98 0.07 0.00 2.13 0.00 0.00 52.55 55.97 1xqi s ASP 87 Cb -0.15 -2.54 0.75 0.00 -1.45 0.00 0.00 42.92 39.53 1xqi s ASP 87 CO 0.09 -1.15 1.94 1.55 0.13 0.00 0.00 175.17 177.74 1xqi h PRO 88 N 9.37 0.41 -0.87 4.34 0.13 -1.92 -0.62 132.00 142.85 1xqi h PRO 88 Ca -0.25 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1xqi h PRO 88 Cb 1.09 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.10 1xqi h PRO 88 CO 1.06 0.42 0.57 0.00 -0.23 0.00 0.00 178.00 179.83 1xqi h ARG 89 N 0.40 1.06 0.05 0.86 3.08 -1.90 0.26 114.38 118.20 1xqi h ARG 89 Ca 0.09 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.85 1xqi h ARG 89 Cb 0.24 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xqi h ARG 89 CO 0.00 0.70 -1.04 0.00 -1.07 0.00 0.00 179.97 178.57 1xqi h ALA 90 N 1.49 0.31 0.01 0.04 0.00 -1.74 -2.23 119.26 117.15 1xqi h ALA 90 Ca 0.35 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1xqi h ALA 90 Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xqi h ALA 90 CO -0.10 0.95 -0.49 -0.22 0.00 0.00 0.00 179.25 179.39 1xqi h LYS 91 N 0.11 0.31 0.00 0.00 1.63 -0.72 -3.42 116.57 114.47 1xqi h LYS 91 Ca -0.08 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1xqi h LYS 91 Cb 1.72 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 1xqi h LYS 91 CO 0.17 1.05 0.00 0.44 -3.45 0.00 0.00 179.45 177.66 1xqi n ILE 92 N -4.32 0.03 -0.37 2.00 -5.35 0.88 -5.05 119.36 107.19 1xqi n ILE 92 Ca -0.10 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1xqi n ILE 92 Cb 0.63 1.64 0.00 0.00 -1.74 0.00 0.00 39.64 40.17 1xqi n ILE 92 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xqi n GLY 93 N -0.02 0.79 3.30 3.28 0.00 -0.84 -4.98 105.19 106.72 1xqi n GLY 93 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xqi n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xqi s THR 94 N -2.79 0.06 -0.86 2.61 -1.32 -1.25 -4.87 115.64 107.21 1xqi s THR 94 Ca 0.00 -0.48 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 1xqi s THR 94 Cb 0.00 -0.85 0.16 0.00 -1.51 0.00 0.00 72.50 70.30 1xqi s THR 94 CO 0.00 -0.26 1.01 -0.90 -2.21 0.00 0.00 174.62 172.25 1xqi n ASP 95 N 0.79 2.27 -4.67 8.08 3.85 -1.26 -3.80 116.55 121.81 1xqi n ASP 95 Ca -0.20 -1.71 -0.43 0.00 -0.71 0.00 0.00 54.79 51.74 1xqi n ASP 95 Cb 0.58 -0.10 -0.02 0.00 -1.35 0.00 0.00 41.12 40.23 1xqi n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1xqi s ASP 96 N -0.87 6.94 0.14 -1.12 2.15 -1.26 -4.96 116.67 117.70 1xqi s ASP 96 Ca 0.14 1.81 -0.25 0.00 0.43 0.00 0.00 52.55 54.68 1xqi s ASP 96 Cb 0.08 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1xqi s ASP 96 CO 0.11 -0.72 1.60 -0.65 -0.17 0.00 0.00 175.17 175.35 1xqi h PRO 97 N 8.06 -0.35 -0.45 4.34 0.11 -1.92 0.12 132.00 141.91 1xqi h PRO 97 Ca -0.31 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.88 1xqi h PRO 97 Cb 1.13 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1xqi h PRO 97 CO 0.94 -0.23 0.18 0.28 -0.21 0.00 0.00 178.00 178.95 1xqi h VAL 98 N -0.36 0.89 -0.68 3.15 2.07 -1.84 0.98 116.25 120.46 1xqi h VAL 98 Ca 0.12 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1xqi h VAL 98 Cb 0.55 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xqi h VAL 98 CO -0.42 0.07 0.38 -0.33 0.02 0.00 0.00 177.57 177.29 1xqi h GLU 99 N 0.36 0.92 -0.30 1.57 5.08 -1.77 -1.60 114.58 118.84 1xqi h GLU 99 Ca 0.21 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1xqi h GLU 99 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xqi h GLU 99 CO -0.19 0.67 -0.37 0.28 -1.00 0.00 0.00 179.01 178.40 1xqi h VAL 100 N 0.94 1.29 -0.77 3.13 2.07 -0.49 -2.31 116.25 120.11 1xqi h VAL 100 Ca 0.24 -1.53 0.09 0.00 0.82 0.00 0.00 66.70 66.32 1xqi h VAL 100 Cb 0.00 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1xqi h VAL 100 CO -0.04 0.49 0.43 1.23 0.02 0.00 0.00 177.57 179.70 1xqi h GLY 101 N 0.97 1.17 2.00 2.17 0.00 -0.22 0.09 103.07 109.26 1xqi h GLY 101 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1xqi h GLY 101 CO 0.08 0.12 -0.35 3.21 0.00 0.00 0.00 176.54 179.60 1xqi h ARG 102 N 0.74 0.00 -0.10 4.80 3.08 -0.89 0.12 114.38 122.13 1xqi h ARG 102 Ca 0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.31 1xqi h ARG 102 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xqi h ARG 102 CO -0.24 0.35 -0.36 0.82 -1.07 0.00 0.00 179.97 179.48 1xqi h ILE 103 N 0.00 1.39 -0.28 2.04 2.04 -0.96 -2.19 117.51 119.56 1xqi h ILE 103 Ca -0.00 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.18 1xqi h ILE 103 Cb 0.64 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1xqi h ILE 103 CO 0.05 0.50 0.09 0.40 0.00 0.00 0.00 178.15 179.19 1xqi h ILE 104 N -0.03 0.92 -0.97 -0.67 2.04 -0.56 -0.45 117.51 117.79 1xqi h ILE 104 Ca -0.02 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1xqi h ILE 104 Cb 0.99 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1xqi h ILE 104 CO 0.08 0.04 0.63 0.50 0.00 0.00 0.00 178.15 179.40 1xqi h LYS 105 N 0.21 1.19 -0.39 2.37 3.64 -0.79 0.21 116.57 123.02 1xqi h LYS 105 Ca 0.12 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1xqi h LYS 105 Cb 0.09 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1xqi h LYS 105 CO -0.13 0.79 0.11 -0.09 -2.27 0.00 0.00 179.45 177.86 1xqi h ARG 106 N 1.23 0.57 -0.20 1.90 2.43 -1.01 0.10 114.38 119.40 1xqi h ARG 106 Ca 0.38 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1xqi h ARG 106 Cb -0.01 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xqi h ARG 106 CO -0.12 0.51 -0.33 -0.91 -1.51 0.00 0.00 179.97 177.60 1xqi h ASN 107 N 0.56 0.63 -0.66 -3.80 2.35 0.98 -2.54 115.58 113.10 1xqi h ASN 107 Ca 0.13 -0.53 0.13 0.00 -0.55 0.00 0.00 56.30 55.48 1xqi h ASN 107 Cb 0.19 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.28 1xqi h ASN 107 CO -0.01 1.04 0.15 0.25 -1.65 0.00 0.00 177.43 177.22 1xqi h LEU 108 N 0.24 0.01 -1.08 1.61 5.85 -0.56 -1.76 115.31 119.61 1xqi h LEU 108 Ca 0.01 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1xqi h LEU 108 Cb 0.92 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1xqi h LEU 108 CO 0.08 -0.00 0.13 0.58 -0.34 0.00 0.00 178.44 178.88 1xqi h VAL 109 N 0.27 1.22 -0.15 1.05 2.07 -0.76 -2.81 116.25 117.14 1xqi h VAL 109 Ca 0.36 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1xqi h VAL 109 Cb 0.56 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1xqi h VAL 109 CO -0.45 0.29 -0.01 0.11 0.02 0.00 0.00 177.57 177.53 1xqi h LYS 110 N 0.75 0.28 -1.16 1.57 1.57 -0.92 -2.74 116.57 115.92 1xqi h LYS 110 Ca 0.17 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xqi h LYS 110 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xqi h LYS 110 CO -0.00 0.52 0.00 0.98 -0.57 0.00 0.00 179.45 180.38 1xqi n TYR 111 N -4.73 0.00 0.00 -1.35 9.36 -0.92 -1.56 117.16 117.95 1xqi n TYR 111 Ca -0.05 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1xqi n TYR 111 Cb 0.23 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 1xqi n TYR 111 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1xqi n THR 113 N 0.67 0.00 1.07 2.97 5.66 -1.04 -4.44 114.28 119.18 1xqi n THR 113 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1xqi n THR 113 Cb 0.11 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.27 1xqi n THR 113 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1xqi n SER 114 N 0.00 0.47 -2.46 1.09 3.41 -0.60 -4.93 113.62 110.60 1xqi n SER 114 Ca 0.00 -0.23 -0.05 0.00 -0.26 0.00 0.00 58.87 58.33 1xqi n SER 114 Cb 0.00 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1xqi n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xqi n GLY 115 N 1.46 1.08 3.76 5.00 0.00 -1.26 -5.08 105.19 110.14 1xqi n GLY 115 Ca 0.08 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1xqi n GLY 115 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xqi s PRO 116 N -2.06 3.46 0.34 1.61 0.02 -1.26 -4.73 135.00 132.38 1xqi s PRO 116 Ca 0.14 1.93 0.08 0.00 0.02 0.00 0.00 61.00 63.16 1xqi s PRO 116 Cb -0.03 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 1xqi s PRO 116 CO 0.07 -0.84 0.26 -0.80 -0.33 0.00 0.00 177.00 175.36 1xqi s ASN 117 N -1.26 5.15 -0.11 2.53 -0.87 0.45 -3.80 114.94 117.02 1xqi s ASN 117 Ca 0.68 -0.56 0.02 0.00 -1.57 0.00 0.00 52.86 51.42 1xqi s ASN 117 Cb -0.32 -0.91 0.02 0.00 -0.02 0.00 0.00 41.25 40.01 1xqi s ASN 117 CO 0.39 -0.35 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.73 1xqi s VAL 118 N -2.34 1.45 0.35 1.60 1.01 -0.36 -1.52 120.40 120.61 1xqi s VAL 118 Ca 0.40 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1xqi s VAL 118 Cb -0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1xqi s VAL 118 CO 0.26 0.43 0.22 -0.69 0.00 0.00 0.00 175.10 175.32 1xqi s VAL 119 N 1.03 3.10 -0.03 2.92 1.01 -0.53 0.10 120.40 128.00 1xqi s VAL 119 Ca -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 1xqi s VAL 119 Cb -0.15 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1xqi s VAL 119 CO -0.02 -0.15 0.06 -0.69 0.00 0.00 0.00 175.10 174.30 1xqi s VAL 121 N -2.40 -0.04 -0.03 2.92 1.01 -0.54 -1.24 120.40 120.08 1xqi s VAL 121 Ca 0.40 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1xqi s VAL 121 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1xqi s VAL 121 CO 0.24 0.06 -0.22 -0.76 0.00 0.00 0.00 175.10 174.43 1xqi s LEU 122 N 0.82 2.31 -0.02 3.92 1.43 0.04 -0.96 118.68 126.21 1xqi s LEU 122 Ca -0.07 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1xqi s LEU 122 Cb -0.09 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1xqi s LEU 122 CO -0.03 0.33 -0.04 -0.75 0.23 0.00 0.00 176.35 176.09 1xqi s LYS 123 N -0.67 0.56 0.00 1.70 2.20 -0.65 -0.30 119.74 122.58 1xqi s LYS 123 Ca 0.11 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1xqi s LYS 123 Cb -0.10 -0.59 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 1xqi s LYS 123 CO -0.00 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1xqi n GLY 124 N 3.54 1.65 3.62 5.54 0.00 -0.74 -1.61 105.19 117.18 1xqi n GLY 124 Ca -0.20 -0.93 -0.58 0.00 0.00 0.00 0.00 46.02 44.30 1xqi n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xqi n ASN 125 N 0.00 1.16 -4.20 1.61 5.15 -1.26 -1.53 115.26 116.19 1xqi n ASN 125 Ca 0.00 1.14 -0.36 0.00 -0.60 0.00 0.00 54.58 54.76 1xqi n ASN 125 Cb 0.00 -1.03 -0.04 0.00 -0.53 0.00 0.00 39.78 38.17 1xqi n ASN 125 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xqi n ARG 126 N 3.02 -2.27 -0.33 1.20 1.74 -1.26 -4.84 116.66 113.92 1xqi n ARG 126 Ca 0.23 0.28 0.19 0.00 -0.77 0.00 0.00 57.85 57.78 1xqi n ARG 126 Cb 0.09 -4.95 0.38 0.00 -1.02 0.00 0.00 32.46 26.96 1xqi n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xqi h ALA 127 N 0.91 1.48 0.03 7.54 0.00 -1.51 -1.28 119.26 126.43 1xqi h ALA 127 Ca -0.55 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xqi h ALA 127 Cb 1.36 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xqi h ALA 127 CO 0.77 -0.66 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 1xqi h VAL 128 N 0.04 1.28 -0.49 0.00 2.07 -1.88 -1.19 116.25 116.08 1xqi h VAL 128 Ca 0.67 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1xqi h VAL 128 Cb 1.51 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1xqi h VAL 128 CO -0.84 0.25 -0.21 -0.08 0.02 0.00 0.00 177.57 176.72 1xqi h GLU 129 N -0.48 0.99 -0.19 1.57 4.81 -1.81 -2.39 114.58 117.09 1xqi h GLU 129 Ca -0.00 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1xqi h GLU 129 Cb 0.44 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1xqi h GLU 129 CO 0.01 1.09 0.08 0.82 -0.73 0.00 0.00 179.01 180.28 1xqi h ILE 130 N 0.86 1.14 -0.40 2.32 5.03 -1.14 -0.23 117.51 125.09 1xqi h ILE 130 Ca 0.11 -0.43 0.03 0.00 -0.12 0.00 0.00 64.86 64.46 1xqi h ILE 130 Cb 0.78 1.09 -0.03 0.00 -3.03 0.00 0.00 36.82 35.62 1xqi h ILE 130 CO 0.06 0.14 0.20 0.58 -0.68 0.00 0.00 178.15 178.45 1xqi h VAL 131 N 0.16 0.97 -0.81 1.67 2.07 -1.26 -0.13 116.25 118.92 1xqi h VAL 131 Ca 0.06 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1xqi h VAL 131 Cb 0.14 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1xqi h VAL 131 CO -0.01 0.07 0.48 0.03 0.02 0.00 0.00 177.57 178.17 1xqi h ARG 132 N 0.40 0.83 0.17 1.57 3.08 -1.18 -0.64 114.38 118.61 1xqi h ARG 132 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1xqi h ARG 132 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1xqi h ARG 132 CO -0.12 0.55 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.03 1xqi h LYS 133 N 0.85 -0.23 -0.89 0.04 3.64 -0.57 -1.57 116.57 117.84 1xqi h LYS 133 Ca 0.37 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 1xqi h LYS 133 Cb 0.25 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1xqi h LYS 133 CO -0.20 0.06 0.58 -0.07 -2.27 0.00 0.00 179.45 177.55 1xqi h LEU 134 N -0.51 0.90 -0.24 5.20 4.07 -0.93 -2.94 115.31 120.85 1xqi h LEU 134 Ca -0.02 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 1xqi h LEU 134 Cb 0.39 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1xqi h LEU 134 CO 0.04 0.58 -0.27 0.58 -1.08 0.00 0.00 178.44 178.30 1xqi h VAL 135 N 1.03 1.32 0.00 1.22 2.07 -1.04 0.08 116.25 120.92 1xqi h VAL 135 Ca 0.38 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1xqi h VAL 135 Cb 0.18 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1xqi h VAL 135 CO -0.14 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1xqi n GLY 136 N 0.20 -0.11 3.74 2.17 0.00 -0.60 -0.91 105.19 109.68 1xqi n GLY 136 Ca -0.05 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 1xqi n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xqi s PRO 137 N -1.37 0.41 0.41 1.61 0.04 -1.26 -4.90 135.00 129.94 1xqi s PRO 137 Ca 0.00 0.16 0.15 0.00 0.04 0.00 0.00 61.00 61.35 1xqi s PRO 137 Cb 0.00 -1.77 0.88 0.00 0.04 0.00 0.00 34.50 33.66 1xqi s PRO 137 CO 0.00 -2.67 1.91 0.00 0.04 0.00 0.00 177.00 176.28 1xqi h THR 138 N -1.83 1.15 -3.72 1.26 1.03 -1.98 -3.38 112.91 105.43 1xqi h THR 138 Ca -0.49 -0.98 -0.65 0.00 -0.01 0.00 0.00 66.41 64.27 1xqi h THR 138 Cb 1.31 1.53 -0.17 0.00 -1.07 0.00 0.00 68.15 69.76 1xqi h THR 138 CO 0.52 0.27 -0.34 -0.55 -0.01 0.00 0.00 175.52 175.41 1xqi s SER 139 N -6.89 6.15 0.17 0.00 0.15 -1.26 -4.77 113.70 107.25 1xqi s SER 139 Ca -0.03 -0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1xqi s SER 139 Cb 0.15 -2.18 0.08 0.00 -1.71 0.00 0.00 66.02 62.36 1xqi s SER 139 CO 0.70 -0.25 1.81 -0.65 1.20 0.00 0.00 173.24 176.06 1xqi h PRO 140 N 8.40 0.56 -0.97 5.44 0.11 -1.75 -1.76 132.00 142.03 1xqi h PRO 140 Ca -0.31 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.03 1xqi h PRO 140 Cb 1.16 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1xqi h PRO 140 CO 0.65 0.37 0.67 1.12 -0.21 0.00 0.00 178.00 180.61 1xqi h HIS 141 N 0.58 0.25 -0.17 0.65 2.07 -1.50 0.35 115.15 117.37 1xqi h HIS 141 Ca 0.19 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1xqi h HIS 141 Cb 0.01 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1xqi h HIS 141 CO -0.06 0.04 0.00 -1.13 -3.07 0.00 0.00 177.93 173.71 1xqi n SER 142 N -4.38 3.11 -4.72 3.10 3.41 -1.07 -4.96 113.62 108.12 1xqi n SER 142 Ca 0.21 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 1xqi n SER 142 Cb 0.93 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 1xqi n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xqi s ALA 143 N -1.71 3.45 0.52 7.33 0.00 0.11 -4.96 121.76 126.50 1xqi s ALA 143 Ca 0.31 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 1xqi s ALA 143 Cb 0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1xqi s ALA 143 CO 0.29 -0.47 1.23 -2.30 0.00 0.00 0.00 175.76 174.51 1xqi n PRO 144 N 3.76 1.56 -1.67 0.00 -0.02 -1.26 -4.32 135.00 133.06 1xqi n PRO 144 Ca 0.09 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 1xqi n PRO 144 Cb 0.45 -2.40 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1xqi n PRO 144 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xqi n PRO 145 N -0.66 1.27 0.00 0.52 -0.02 -1.26 -2.10 135.00 132.75 1xqi n PRO 145 Ca 0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1xqi n PRO 145 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1xqi n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xqi n GLY 146 N 1.06 2.79 3.84 -1.23 0.00 -1.26 -5.00 105.19 105.38 1xqi n GLY 146 Ca 0.12 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1xqi n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xqi s THR 147 N -2.70 4.58 0.25 2.61 -4.23 -0.89 -4.91 115.64 110.34 1xqi s THR 147 Ca 0.00 1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.56 1xqi s THR 147 Cb 0.00 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.42 1xqi s THR 147 CO 0.00 -0.37 1.88 0.40 -0.54 0.00 0.00 174.62 175.99 1xqi h ILE 148 N 1.61 1.12 -0.10 2.99 2.04 -0.93 0.91 117.51 125.16 1xqi h ILE 148 Ca -0.48 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 64.83 1xqi h ILE 148 Cb 1.18 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1xqi h ILE 148 CO 0.63 0.20 -0.67 0.03 0.00 0.00 0.00 178.15 178.34 1xqi h ARG 149 N 1.12 0.40 0.00 2.37 3.08 -1.28 -1.77 114.38 118.30 1xqi h ARG 149 Ca 0.38 -0.30 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1xqi h ARG 149 Cb 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xqi h ARG 149 CO -0.14 0.93 -0.85 0.78 -1.07 0.00 0.00 179.97 179.62 1xqi h GLY 150 N 1.28 0.16 1.36 0.04 0.00 -1.64 -2.93 103.07 101.34 1xqi h GLY 150 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1xqi h GLY 150 CO 0.12 0.25 -0.71 -0.55 0.00 0.00 0.00 176.54 175.64 1xqi h ASP 151 N 0.08 0.00 0.00 0.19 3.45 -0.72 -3.39 116.42 116.03 1xqi h ASP 151 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1xqi h ASP 151 Cb 1.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 1xqi h ASP 151 CO 0.12 0.09 -0.01 -1.22 -1.57 0.00 0.00 179.24 176.65 1xqi n TYR 152 N -2.86 0.00 -3.50 4.55 4.02 -0.68 -5.04 117.16 113.65 1xqi n TYR 152 Ca 0.00 -0.64 -0.14 0.00 -0.01 0.00 0.00 57.90 57.11 1xqi n TYR 152 Cb 0.58 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 1xqi n TYR 152 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1xqi s SER 153 N -1.63 -0.57 -0.00 7.72 0.15 -1.11 -5.02 113.70 113.23 1xqi s SER 153 Ca 0.12 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.18 1xqi s SER 153 Cb 0.10 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1xqi s SER 153 CO 0.01 -0.68 0.77 2.30 1.20 0.00 0.00 173.24 176.84 1xqi n ILE 154 N 0.41 0.52 -1.08 6.45 -5.35 -1.26 -4.44 119.36 114.60 1xqi n ILE 154 Ca -0.16 -0.53 -0.32 0.00 -0.27 0.00 0.00 62.75 61.47 1xqi n ILE 154 Cb 0.60 0.71 0.12 0.00 -1.74 0.00 0.00 39.64 39.33 1xqi n ILE 154 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xqi s ASP 155 N -0.60 3.86 0.04 7.28 2.15 -1.26 -4.47 116.67 123.68 1xqi s ASP 155 Ca 0.01 2.05 -0.08 0.00 0.43 0.00 0.00 52.55 54.95 1xqi s ASP 155 Cb 0.01 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1xqi s ASP 155 CO 0.00 -2.47 0.17 -0.94 -0.17 0.00 0.00 175.17 171.76 1xqi s SER 156 N -2.89 0.08 0.52 -0.34 1.04 -1.26 -1.55 113.70 109.29 1xqi s SER 156 Ca 0.65 -0.42 0.23 0.00 0.48 0.00 0.00 55.95 56.89 1xqi s SER 156 Cb -0.21 0.27 1.40 0.00 0.10 0.00 0.00 66.02 67.58 1xqi s SER 156 CO 0.55 -0.55 2.11 -0.65 0.98 0.00 0.00 173.24 175.68 1xqi h PRO 157 N 3.50 0.00 -0.06 4.02 0.11 -1.97 -2.00 132.00 135.61 1xqi h PRO 157 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1xqi h PRO 157 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xqi h PRO 157 CO 0.49 0.09 -0.07 0.38 -0.21 0.00 0.00 178.00 178.69 1xqi h ASP 158 N 0.00 0.16 -0.20 -2.05 2.03 -1.98 -1.24 116.42 113.14 1xqi h ASP 158 Ca -0.00 -0.50 0.06 0.00 -0.73 0.00 0.00 57.03 55.85 1xqi h ASP 158 Cb 0.20 -0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 38.59 1xqi h ASP 158 CO 0.01 0.63 -0.22 0.25 -1.03 0.00 0.00 179.24 178.88 1xqi h LEU 159 N -0.31 -0.70 -0.39 0.15 6.46 -1.96 -0.53 115.31 118.04 1xqi h LEU 159 Ca 0.01 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 1xqi h LEU 159 Cb 0.59 0.33 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 1xqi h LEU 159 CO 0.02 -0.26 -0.00 0.00 -0.62 0.00 0.00 178.44 177.57 1xqi h ALA 160 N 0.80 0.35 -0.99 1.25 0.00 -1.36 -0.09 119.26 119.23 1xqi h ALA 160 Ca 0.12 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1xqi h ALA 160 Cb 0.43 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1xqi h ALA 160 CO -0.34 -0.40 0.63 0.00 0.00 0.00 0.00 179.25 179.14 1xqi h ALA 161 N 1.34 1.50 -0.04 0.00 0.00 -1.07 -0.84 119.26 120.16 1xqi h ALA 161 Ca 0.19 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1xqi h ALA 161 Cb 0.27 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xqi h ALA 161 CO -0.32 0.30 -0.61 0.93 0.00 0.00 0.00 179.25 179.56 1xqi h GLU 162 N 1.05 0.48 0.00 0.00 5.08 -0.31 -3.21 114.58 117.66 1xqi h GLU 162 Ca 0.46 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xqi h GLU 162 Cb 0.35 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xqi h GLU 162 CO -0.21 1.11 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 1xqi n GLU 163 N -4.19 0.79 -3.73 2.33 1.02 -0.12 -4.91 120.64 111.84 1xqi n GLU 163 Ca -0.10 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.81 1xqi n GLU 163 Cb 0.67 -1.20 0.02 0.00 -0.02 0.00 0.00 31.44 30.91 1xqi n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xqi n GLY 164 N 0.41 -0.41 3.30 0.62 0.00 -0.71 -5.03 105.19 103.37 1xqi n GLY 164 Ca 0.08 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 1xqi n GLY 164 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xqi s ARG 165 N -6.02 1.75 0.66 1.61 1.70 -0.40 -5.04 118.95 113.20 1xqi s ARG 165 Ca 0.09 -1.98 -0.04 0.00 -0.47 0.00 0.00 55.73 53.33 1xqi s ARG 165 Cb -0.03 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1xqi s ARG 165 CO 0.83 -0.65 0.95 0.14 -1.08 0.00 0.00 175.30 175.49 1xqi s VAL 166 N -3.44 2.38 0.16 4.99 -7.23 -1.26 -4.17 120.40 111.82 1xqi s VAL 166 Ca 0.40 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1xqi s VAL 166 Cb 0.02 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.89 1xqi s VAL 166 CO 0.26 0.00 1.17 -0.69 -0.31 0.00 0.00 175.10 175.53 1xqi s VAL 167 N -3.11 3.75 -1.33 1.32 1.01 -1.26 -4.85 120.40 115.93 1xqi s VAL 167 Ca 0.59 1.43 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 1xqi s VAL 167 Cb -0.11 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.46 1xqi s VAL 167 CO 0.43 0.21 1.90 0.49 0.00 0.00 0.00 175.10 178.13 1xqi n PHE 168 N 2.77 3.82 -0.86 5.22 0.99 -1.26 -4.81 117.46 123.33 1xqi n PHE 168 Ca 0.05 -2.96 -0.17 0.00 -0.00 0.00 0.00 57.45 54.37 1xqi n PHE 168 Cb 0.45 -2.33 0.18 0.00 -1.00 0.00 0.00 39.48 36.78 1xqi n PHE 168 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1xqi n ASN 169 N 5.82 3.81 0.00 4.37 2.04 -1.26 -4.79 115.26 125.24 1xqi n ASN 169 Ca 0.45 -3.30 0.00 0.00 -0.44 0.00 0.00 54.58 51.29 1xqi n ASN 169 Cb 0.40 -0.77 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 1xqi n ASN 169 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xqi n LEU 170 N -0.73 0.00 -3.89 -4.53 4.77 -1.26 -4.82 117.00 106.54 1xqi n LEU 170 Ca 0.48 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1xqi n LEU 170 Cb 1.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.48 1xqi n LEU 170 CO 0.49 0.00 0.01 0.68 -1.33 0.00 0.00 177.39 177.24 1xqi s VAL 171 N 0.00 0.08 -0.06 4.08 -7.23 -1.26 -1.35 120.40 114.66 1xqi s VAL 171 Ca 0.00 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1xqi s VAL 171 Cb 0.00 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 1xqi s VAL 171 CO 0.00 -0.35 -0.20 -2.28 -0.31 0.00 0.00 175.10 171.96 1xqi s HIS 172 N -3.92 2.04 0.01 2.82 2.46 -0.68 -4.95 115.29 113.06 1xqi s HIS 172 Ca 0.13 -0.66 0.07 0.00 0.47 0.00 0.00 55.06 55.07 1xqi s HIS 172 Cb 0.03 -1.37 -0.02 0.00 -0.13 0.00 0.00 32.58 31.09 1xqi s HIS 172 CO -0.03 -0.24 -0.23 0.00 -2.47 0.00 0.00 174.74 171.77 1xqi s ALA 173 N 0.11 1.91 0.20 1.58 0.00 -1.26 -1.56 121.76 122.74 1xqi s ALA 173 Ca -0.08 -1.04 -0.33 0.00 0.00 0.00 0.00 51.96 50.52 1xqi s ALA 173 Cb -0.14 -0.45 -0.14 0.00 0.00 0.00 0.00 23.12 22.40 1xqi s ALA 173 CO 0.04 0.46 1.46 0.43 0.00 0.00 0.00 175.76 178.15 1xqi n SER 174 N 2.25 2.80 -0.45 0.00 7.64 -0.98 -4.87 113.62 120.02 1xqi n SER 174 Ca -0.16 1.12 0.13 0.00 1.01 0.00 0.00 58.87 60.97 1xqi n SER 174 Cb 0.52 -1.41 0.53 0.00 -1.01 0.00 0.00 64.21 62.84 1xqi n SER 174 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xqi n ASP 175 N 2.65 1.38 -3.49 6.43 3.85 -1.26 -4.87 116.55 121.24 1xqi n ASP 175 Ca 0.14 -1.51 -0.09 0.00 -0.71 0.00 0.00 54.79 52.62 1xqi n ASP 175 Cb 0.30 -0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 40.02 1xqi n ASP 175 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xqi s SER 176 N -1.89 -0.40 0.12 -1.12 1.04 -1.26 -5.01 113.70 105.17 1xqi s SER 176 Ca 0.37 0.01 -0.32 0.00 0.48 0.00 0.00 55.95 56.50 1xqi s SER 176 Cb 0.20 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.64 1xqi s SER 176 CO 0.32 -0.68 1.57 -0.65 0.98 0.00 0.00 173.24 174.78 1xqi h PRO 177 N 2.01 -0.58 -0.43 4.02 0.11 -1.92 0.12 132.00 135.32 1xqi h PRO 177 Ca -0.24 0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.97 1xqi h PRO 177 Cb 1.25 0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.40 1xqi h PRO 177 CO 0.32 -0.39 -0.48 1.03 -0.21 0.00 0.00 178.00 178.27 1xqi h SER 178 N -0.61 -1.61 -0.73 -2.05 0.87 -1.97 -1.24 113.55 106.22 1xqi h SER 178 Ca 0.04 0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.91 1xqi h SER 178 Cb 0.68 0.69 -0.05 0.00 -0.44 0.00 0.00 62.40 63.28 1xqi h SER 178 CO -0.35 -0.38 0.48 -0.33 -0.53 0.00 0.00 176.83 175.72 1xqi h GLU 179 N -0.34 0.68 0.04 2.24 4.39 -1.92 -2.50 114.58 117.17 1xqi h GLU 179 Ca 0.12 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1xqi h GLU 179 Cb 0.59 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1xqi h GLU 179 CO -0.60 0.45 -0.04 0.00 -1.16 0.00 0.00 179.01 177.66 1xqi h ALA 180 N 1.62 -0.08 -0.82 3.43 0.00 0.34 -0.18 119.26 123.58 1xqi h ALA 180 Ca 0.32 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1xqi h ALA 180 Cb 0.35 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1xqi h ALA 180 CO -0.11 -0.55 0.50 1.05 0.00 0.00 0.00 179.25 180.14 1xqi h GLU 181 N -0.09 0.88 0.26 0.00 -0.00 -1.00 0.16 114.58 114.79 1xqi h GLU 181 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1xqi h GLU 181 Cb 0.09 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 28.64 1xqi h GLU 181 CO -0.01 0.58 -0.13 -0.09 -0.00 0.00 0.00 179.01 179.36 1xqi h ARG 182 N 0.91 -0.34 -0.26 1.06 2.43 -1.26 -2.23 114.38 114.68 1xqi h ARG 182 Ca 0.36 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.46 1xqi h ARG 182 Cb 0.18 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1xqi h ARG 182 CO -0.18 -0.11 -0.22 0.93 -1.51 0.00 0.00 179.97 178.89 1xqi h GLU 183 N -0.52 0.48 0.12 0.20 5.08 -0.81 -1.37 114.58 117.76 1xqi h GLU 183 Ca -0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xqi h GLU 183 Cb 0.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1xqi h GLU 183 CO 0.06 0.67 -0.12 0.82 -1.00 0.00 0.00 179.01 179.45 1xqi h ILE 184 N 0.43 0.74 -0.63 3.13 2.04 -0.72 -2.88 117.51 119.63 1xqi h ILE 184 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1xqi h ILE 184 Cb 0.62 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1xqi h ILE 184 CO 0.04 0.00 0.37 0.03 0.00 0.00 0.00 178.15 178.59 1xqi h ARG 185 N -0.26 0.85 -0.65 2.37 3.08 -1.02 -1.55 114.38 117.21 1xqi h ARG 185 Ca 0.00 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.08 1xqi h ARG 185 Cb 0.25 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 1xqi h ARG 185 CO -0.03 0.61 0.26 0.35 -1.07 0.00 0.00 179.97 180.08 1xqi h PHE 186 N 0.86 0.45 0.00 3.04 3.57 -1.15 -3.21 116.94 120.50 1xqi h PHE 186 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 1xqi h PHE 186 Cb -0.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1xqi h PHE 186 CO 0.00 0.12 -1.55 0.91 -2.23 0.00 0.00 178.31 175.56 1xqi n TRP 187 N -4.97 0.67 -4.32 0.41 7.02 -0.76 -4.95 117.44 110.53 1xqi n TRP 187 Ca 0.10 0.21 -0.21 0.00 -1.02 0.00 0.00 57.50 56.58 1xqi n TRP 187 Cb 0.29 -0.93 -0.16 0.00 -2.42 0.00 0.00 31.31 28.08 1xqi n TRP 187 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1xqi s PHE 188 N -3.09 0.99 0.57 -5.99 0.40 -0.66 -5.13 117.98 105.07 1xqi s PHE 188 Ca -0.04 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 55.81 1xqi s PHE 188 Cb 0.10 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 1xqi s PHE 188 CO 0.83 -0.21 1.05 0.50 0.70 0.00 0.00 175.22 178.09 1xqi s ARG 189 N 0.79 3.43 0.30 0.44 3.52 -1.26 -4.52 118.95 121.64 1xqi s ARG 189 Ca -0.13 1.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.69 1xqi s ARG 189 Cb -0.15 -2.05 0.68 0.00 -1.56 0.00 0.00 34.95 31.87 1xqi s ARG 189 CO 0.02 -0.73 1.58 0.93 -0.81 0.00 0.00 175.30 176.29 1xqi h GLU 190 N 0.65 0.03 -2.27 5.12 4.39 -1.96 0.05 114.58 120.59 1xqi h GLU 190 Ca -0.47 -0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.50 1xqi h GLU 190 Cb 1.22 -0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.65 1xqi h GLU 190 CO 0.58 0.02 1.34 0.39 -1.16 0.00 0.00 179.01 180.18 1xqi n GLU 191 N -5.47 4.12 0.00 2.33 1.02 -1.26 -2.81 120.64 118.57 1xqi n GLU 191 Ca 0.21 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1xqi n GLU 191 Cb 0.69 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1xqi n GLU 191 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xqi n GLU 192 N 0.57 2.70 -3.35 3.49 1.02 0.00 -5.02 120.64 120.05 1xqi n GLU 192 Ca 0.53 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 57.23 1xqi n GLU 192 Cb 0.31 -0.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.35 1xqi n GLU 192 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xqi s VAL 193 N -0.33 5.16 -0.35 2.62 1.01 -1.12 -4.59 120.40 122.80 1xqi s VAL 193 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1xqi s VAL 193 Cb 0.00 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1xqi s VAL 193 CO 0.00 -0.59 0.09 -0.76 0.00 0.00 0.00 175.10 173.84 1xqi s LEU 194 N 1.86 4.54 0.00 3.92 1.43 -0.84 -5.03 118.68 124.56 1xqi s LEU 194 Ca 0.07 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1xqi s LEU 194 Cb -0.22 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1xqi s LEU 194 CO 0.08 -0.39 0.49 -0.62 0.23 0.00 0.00 176.35 176.14