#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 2.14 -2.28 0.52 0.31 -1.26 -4.91 118.33 112.85 1xqi n VAL 15 Ca 0.00 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 1xqi n VAL 15 Cb 0.00 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 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 -2.05 3.93 0.10 5.55 2.12 -1.26 -4.82 118.70 122.28 1xqi s GLU 16 Ca 0.56 1.80 0.06 0.00 0.36 0.00 0.00 54.97 57.75 1xqi s GLU 16 Cb -0.52 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1xqi s GLU 16 CO 0.62 -0.41 -0.15 0.15 -0.54 0.00 0.00 175.26 174.92 1xqi s LYS 17 N -2.47 0.97 0.12 4.30 1.02 -1.26 -1.54 119.74 120.87 1xqi s LYS 17 Ca 0.60 -1.13 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1xqi s LYS 17 Cb -0.30 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1xqi s LYS 17 CO 0.37 0.20 -0.01 -0.08 -0.92 0.00 0.00 175.35 174.91 1xqi s THR 18 N -1.65 0.46 -0.12 2.17 -1.32 0.94 -4.72 115.64 111.40 1xqi s THR 18 Ca 0.05 -1.92 -0.03 0.00 -1.21 0.00 0.00 61.69 58.58 1xqi s THR 18 Cb -0.08 -1.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 1xqi s THR 18 CO 0.03 -0.69 -0.01 -0.22 -2.21 0.00 0.00 174.62 171.52 1xqi s LEU 19 N -3.06 3.46 -0.08 9.08 1.98 -1.26 -1.32 118.68 127.48 1xqi s LEU 19 Ca 0.17 0.03 -0.00 0.00 -2.89 0.00 0.00 54.13 51.44 1xqi s LEU 19 Cb 0.07 -1.81 0.02 0.00 0.66 0.00 0.00 46.19 45.13 1xqi s LEU 19 CO -0.02 0.28 -0.04 -0.22 -1.89 0.00 0.00 176.35 174.47 1xqi s LEU 20 N -0.31 1.00 -0.14 -0.68 2.96 -1.26 -1.93 118.68 118.32 1xqi s LEU 20 Ca 0.06 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1xqi s LEU 20 Cb -0.12 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 1xqi s LEU 20 CO 0.02 -0.12 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.29 1xqi s ILE 21 N 1.56 4.21 -0.26 6.68 1.01 -0.58 -4.44 121.20 129.38 1xqi s ILE 21 Ca -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 1xqi s ILE 21 Cb -0.13 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1xqi s ILE 21 CO -0.04 0.52 0.62 -0.76 0.00 0.00 0.00 174.94 175.28 1xqi s LEU 22 N -0.03 4.07 0.77 2.97 1.02 0.11 -1.92 118.68 125.68 1xqi s LEU 22 Ca 0.03 0.65 -0.12 0.00 0.02 0.00 0.00 54.13 54.71 1xqi s LEU 22 Cb -0.13 -2.83 0.05 0.00 0.02 0.00 0.00 46.19 43.31 1xqi s LEU 22 CO 0.02 -0.38 1.11 -0.54 0.02 0.00 0.00 176.35 176.58 1xqi s LYS 23 N 2.50 2.32 0.26 1.70 1.02 -0.50 -2.10 119.74 124.93 1xqi s LYS 23 Ca 0.25 0.50 -0.02 0.00 0.02 0.00 0.00 55.97 56.72 1xqi s LYS 23 Cb -0.15 -1.96 0.45 0.00 -0.52 0.00 0.00 37.83 35.65 1xqi s LYS 23 CO 0.09 -1.43 1.82 -1.35 -0.92 0.00 0.00 175.35 173.56 1xqi h PRO 24 N -0.94 0.84 0.15 -1.68 0.11 -1.79 -1.22 132.00 127.46 1xqi h PRO 24 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1xqi h PRO 24 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xqi h PRO 24 CO 0.62 0.55 -0.07 0.38 -0.21 0.00 0.00 178.00 179.27 1xqi h ASP 25 N 0.86 -0.17 -0.71 -2.05 -0.00 -1.90 0.01 116.42 112.46 1xqi h ASP 25 Ca 0.43 -0.08 0.05 0.00 -0.00 0.00 0.00 57.03 57.44 1xqi h ASP 25 Cb 0.41 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.74 1xqi h ASP 25 CO -0.25 -0.03 0.46 0.00 -0.00 0.00 0.00 179.24 179.42 1xqi h ALA 26 N 0.53 1.68 -0.42 4.15 0.00 -1.65 0.87 119.26 124.42 1xqi h ALA 26 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1xqi h ALA 26 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xqi h ALA 26 CO 0.03 0.22 -0.32 0.28 0.00 0.00 0.00 179.25 179.47 1xqi h VAL 27 N 0.77 1.27 0.00 0.00 2.07 -1.01 -2.56 116.25 116.79 1xqi h VAL 27 Ca 0.30 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 1xqi h VAL 27 Cb 0.20 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1xqi h VAL 27 CO -0.09 0.50 -0.59 0.00 0.02 0.00 0.00 177.57 177.41 1xqi h ALA 28 N 0.84 0.92 0.00 1.67 0.00 0.43 -2.05 119.26 121.06 1xqi h ALA 28 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xqi h ALA 28 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xqi h ALA 28 CO 0.08 0.74 0.00 0.54 0.00 0.00 0.00 179.25 180.61 1xqi n ARG 29 N -3.68 0.89 -1.71 0.00 1.74 0.16 -4.93 116.66 109.13 1xqi n ARG 29 Ca -0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 1xqi n ARG 29 Cb 0.62 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.97 0.38 0.50 -0.13 0.00 -0.77 -4.98 105.19 101.16 1xqi n GLY 30 Ca 0.22 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.41 1.49 -0.00 0.99 4.77 -0.96 -4.23 117.00 118.64 1xqi n LEU 31 Ca -0.03 -0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 1xqi n LEU 31 Cb 0.38 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1xqi n LEU 31 CO 0.04 0.32 0.77 0.58 -1.33 0.00 0.00 177.39 177.78 1xqi h VAL 32 N 1.92 0.63 -0.12 4.08 2.07 -1.88 -0.90 116.25 122.05 1xqi h VAL 32 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1xqi h VAL 32 Cb 0.42 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xqi h VAL 32 CO 0.00 0.00 -0.33 -2.24 0.02 0.00 0.00 177.57 175.02 1xqi h ASP 33 N -0.17 0.25 0.43 0.57 3.04 -1.98 -1.52 116.42 117.04 1xqi h ASP 33 Ca 0.09 -0.09 -0.21 0.00 -3.24 0.00 0.00 57.03 53.58 1xqi h ASP 33 Cb 0.30 -0.07 -0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1xqi h ASP 33 CO -0.23 0.57 -0.92 -0.08 -2.04 0.00 0.00 179.24 176.55 1xqi h GLU 34 N 0.21 0.33 0.08 4.15 4.81 -1.71 -0.32 114.58 122.12 1xqi h GLU 34 Ca 0.03 -0.35 -0.23 0.00 -0.13 0.00 0.00 59.36 58.67 1xqi h GLU 34 Cb 0.70 0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1xqi h GLU 34 CO 0.05 1.05 -0.95 0.82 -0.73 0.00 0.00 179.01 179.25 1xqi h ILE 35 N 0.18 1.37 -0.55 2.32 2.04 -1.05 -3.24 117.51 118.57 1xqi h ILE 35 Ca -0.07 -2.34 0.08 0.00 1.00 0.00 0.00 64.86 63.53 1xqi h ILE 35 Cb 1.55 2.73 -0.06 0.00 -0.74 0.00 0.00 36.82 40.30 1xqi h ILE 35 CO 0.15 0.69 0.22 0.40 0.00 0.00 0.00 178.15 179.61 1xqi h ILE 36 N 0.05 0.83 -0.80 -0.67 2.04 -1.23 -2.79 117.51 114.94 1xqi h ILE 36 Ca -0.14 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 65.73 1xqi h ILE 36 Cb 1.66 0.38 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 1xqi h ILE 36 CO 0.18 0.08 0.34 -1.28 0.00 0.00 0.00 178.15 177.47 1xqi h SER 37 N 0.41 0.33 -0.32 1.72 0.87 -1.10 0.73 113.55 116.19 1xqi h SER 37 Ca 0.27 0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.83 1xqi h SER 37 Cb 0.29 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xqi h SER 37 CO -0.26 0.11 -0.20 0.03 -0.53 0.00 0.00 176.83 175.98 1xqi h ARG 38 N 0.47 0.79 -0.22 2.24 2.47 -1.53 -0.83 114.38 117.78 1xqi h ARG 38 Ca 0.45 -0.31 -0.18 0.00 -1.26 0.00 0.00 59.98 58.67 1xqi h ARG 38 Cb 0.71 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1xqi h ARG 38 CO -0.42 0.93 -0.60 0.74 0.56 0.00 0.00 179.97 181.18 1xqi h PHE 39 N 0.70 0.92 0.21 3.04 0.05 -1.19 -2.49 116.94 118.19 1xqi h PHE 39 Ca 0.10 -0.35 -0.01 0.00 3.82 0.00 0.00 57.97 61.53 1xqi h PHE 39 Cb 0.72 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.50 1xqi h PHE 39 CO 0.04 1.14 -0.10 -0.22 -0.18 0.00 0.00 178.31 178.99 1xqi h LYS 40 N 0.54 -0.27 0.00 1.51 3.64 -0.64 -1.79 116.57 119.56 1xqi h LYS 40 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xqi h LYS 40 Cb 1.19 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xqi h LYS 40 CO 0.12 -0.18 -0.03 0.87 -2.27 0.00 0.00 179.45 177.96 1xqi h LYS 41 N -0.29 0.00 0.00 1.90 1.57 -1.10 -1.47 116.57 117.18 1xqi h LYS 41 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xqi h LYS 41 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xqi h LYS 41 CO 0.05 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1xqi n ALA 42 N -2.47 2.00 -0.08 3.86 0.00 -0.94 -4.87 120.51 118.02 1xqi n ALA 42 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xqi n ALA 42 Cb 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1xqi n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqi n GLY 43 N 0.73 0.93 3.80 0.00 0.00 -0.55 -5.10 105.19 104.99 1xqi n GLY 43 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 4.31 -0.11 0.99 1.43 -0.69 -4.88 118.68 119.72 1xqi s LEU 44 Ca 0.00 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1xqi s LEU 44 Cb 0.00 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1xqi s LEU 44 CO 0.00 -0.05 0.08 -1.59 0.23 0.00 0.00 176.35 175.01 1xqi s LYS 45 N -2.11 3.33 -0.55 1.70 0.00 -0.44 -4.30 119.74 117.37 1xqi s LYS 45 Ca 0.49 -0.26 -0.25 0.00 0.00 0.00 0.00 55.97 55.95 1xqi s LYS 45 Cb -0.17 -3.04 0.04 0.00 0.00 0.00 0.00 37.83 34.66 1xqi s LYS 45 CO 0.22 0.69 0.97 0.42 0.00 0.00 0.00 175.35 177.64 1xqi s ILE 46 N -0.80 4.36 -2.34 3.79 1.01 -1.26 -1.02 121.20 124.93 1xqi s ILE 46 Ca 0.13 0.37 0.23 0.00 0.00 0.00 0.00 60.65 61.38 1xqi s ILE 46 Cb -0.12 -4.55 0.48 0.00 0.01 0.00 0.00 42.46 38.28 1xqi s ILE 46 CO 0.03 -1.12 1.44 1.33 0.00 0.00 0.00 174.94 176.63 1xqi n VAL 47 N 6.26 0.60 -3.64 2.92 0.24 0.20 -4.91 118.33 120.00 1xqi n VAL 47 Ca 0.03 -0.77 -0.07 0.00 -2.04 0.00 0.00 64.34 61.48 1xqi n VAL 47 Cb 0.48 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.58 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 -1.40 -2.06 -0.21 2.33 0.00 -1.24 -0.86 121.76 118.32 1xqi s ALA 48 Ca 0.41 1.90 -0.11 0.00 0.00 0.00 0.00 51.96 54.16 1xqi s ALA 48 Cb 0.23 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.89 1xqi s ALA 48 CO 0.31 -0.23 0.51 -1.17 0.00 0.00 0.00 175.76 175.18 1xqi s LEU 49 N 0.38 -0.48 0.00 0.00 0.20 -1.26 -1.00 118.68 116.52 1xqi s LEU 49 Ca 0.02 1.13 0.00 0.00 0.69 0.00 0.00 54.13 55.97 1xqi s LEU 49 Cb -0.05 1.71 0.00 0.00 -0.43 0.00 0.00 46.19 47.42 1xqi s LEU 49 CO -0.09 -0.21 0.00 2.29 -0.29 0.00 0.00 176.35 178.05 1xqi n LYS 50 N 4.50 0.00 0.00 1.98 2.85 -0.43 -5.00 118.16 122.06 1xqi n LYS 50 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1xqi n LYS 50 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 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 -3.33 0.58 0.24 -0.02 -0.85 118.33 114.95 1xqi n VAL 52 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 1xqi n VAL 52 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 1xqi n VAL 52 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xqi s LYS 53 N -1.27 3.04 0.39 7.34 2.20 -1.26 -0.27 119.74 129.91 1xqi s LYS 53 Ca 0.00 -1.04 -0.23 0.00 -0.36 0.00 0.00 55.97 54.35 1xqi s LYS 53 Cb 0.00 -4.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.16 1xqi s LYS 53 CO 0.00 -0.97 0.95 0.00 -0.36 0.00 0.00 175.35 174.96 1xqi s ALA 54 N 1.99 3.10 0.54 3.13 0.00 -1.26 -5.05 121.76 124.20 1xqi s ALA 54 Ca 0.09 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 1xqi s ALA 54 Cb -0.20 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1xqi s ALA 54 CO 0.10 0.15 0.91 -1.54 0.00 0.00 0.00 175.76 175.38 1xqi s SER 55 N -2.00 6.30 0.26 0.00 1.04 -1.26 -4.72 113.70 113.32 1xqi s SER 55 Ca 0.58 1.21 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 1xqi s SER 55 Cb -0.12 -2.37 0.55 0.00 0.10 0.00 0.00 66.02 64.17 1xqi s SER 55 CO 0.17 -0.69 1.72 -0.65 0.98 0.00 0.00 173.24 174.76 1xqi h PRO 56 N 0.14 0.42 -0.79 4.02 0.11 -1.94 -2.70 132.00 131.27 1xqi h PRO 56 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1xqi h PRO 56 Cb 1.19 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1xqi h PRO 56 CO 0.62 0.28 0.42 1.05 -0.21 0.00 0.00 178.00 180.17 1xqi h GLU 57 N 0.44 1.10 -0.28 1.05 9.09 -1.99 -1.33 114.58 122.66 1xqi h GLU 57 Ca 0.46 -0.13 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 1xqi h GLU 57 Cb 0.76 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1xqi h GLU 57 CO -0.45 0.81 0.16 0.93 0.05 0.00 0.00 179.01 180.51 1xqi h GLU 58 N 1.10 0.39 -0.34 1.06 5.08 -1.88 -1.48 114.58 118.51 1xqi h GLU 58 Ca 0.28 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1xqi h GLU 58 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xqi h GLU 58 CO -0.04 0.32 -0.16 0.82 -1.00 0.00 0.00 179.01 178.94 1xqi h ILE 59 N 0.34 1.25 -0.22 3.13 1.08 -1.20 0.31 117.51 122.21 1xqi h ILE 59 Ca 0.10 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1xqi h ILE 59 Cb 0.04 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1xqi h ILE 59 CO -0.02 0.38 0.05 -0.33 -0.69 0.00 0.00 178.15 177.55 1xqi h GLU 60 N 0.55 0.35 0.00 2.37 5.08 -1.07 -1.66 114.58 120.20 1xqi h GLU 60 Ca 0.09 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1xqi h GLU 60 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1xqi h GLU 60 CO 0.04 0.47 -0.38 0.00 -1.00 0.00 0.00 179.01 178.14 1xqi h ARG 61 N 0.17 0.00 0.06 2.33 3.08 -1.08 -3.30 114.38 115.64 1xqi h ARG 61 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xqi h ARG 61 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xqi h ARG 61 CO 0.00 0.38 -0.03 0.35 -1.07 0.00 0.00 179.97 179.60 1xqi h PHE 62 N 0.00 -0.08 -3.94 3.04 3.04 -0.07 -3.44 116.94 115.49 1xqi h PHE 62 Ca -0.00 -0.00 -0.49 0.00 3.98 0.00 0.00 57.97 61.45 1xqi h PHE 62 Cb 0.81 0.03 0.03 0.00 2.56 0.00 0.00 35.95 39.37 1xqi h PHE 62 CO 0.00 0.32 0.45 0.71 -2.02 0.00 0.00 178.31 177.77 1xqi s TYR 63 N -4.51 3.22 1.04 0.41 1.51 -0.65 -4.99 117.35 113.38 1xqi s TYR 63 Ca -0.15 1.62 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 1xqi s TYR 63 Cb 0.02 -3.23 0.19 0.00 -0.11 0.00 0.00 41.96 38.83 1xqi s TYR 63 CO 0.64 -0.85 0.91 -2.30 -1.11 0.00 0.00 175.55 172.83 1xqi n PRO 64 N 0.07 -1.32 -0.01 -1.71 -0.02 -1.26 -4.88 135.00 125.86 1xqi n PRO 64 Ca 0.04 -0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.19 1xqi n PRO 64 Cb 0.48 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1xqi n PRO 64 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xqi n SER 65 N -3.95 1.43 -4.61 2.55 7.64 -1.26 -4.93 113.62 110.48 1xqi n SER 65 Ca 0.07 -1.32 -0.36 0.00 1.01 0.00 0.00 58.87 58.26 1xqi n SER 65 Cb 0.54 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 0.59 -0.22 6.43 3.41 -1.26 -4.86 113.62 117.70 1xqi n SER 66 Ca 0.01 0.72 -0.06 0.00 -0.26 0.00 0.00 58.87 59.28 1xqi n SER 66 Cb 0.11 -1.40 0.04 0.00 -0.26 0.00 0.00 64.21 62.70 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 0.02 0.82 -0.70 4.33 4.81 -1.99 -2.46 114.58 119.40 1xqi h GLU 67 Ca -0.48 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1xqi h GLU 67 Cb 1.35 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1xqi h GLU 67 CO 0.48 0.54 0.43 1.49 -0.73 0.00 0.00 179.01 181.22 1xqi h GLU 68 N 0.84 0.95 -0.35 1.92 4.81 -1.98 0.39 114.58 121.15 1xqi h GLU 68 Ca 0.23 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1xqi h GLU 68 Cb -0.09 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1xqi h GLU 68 CO -0.05 0.67 0.09 2.35 -0.73 0.00 0.00 179.01 181.34 1xqi h TRP 69 N 0.96 0.59 -0.44 0.92 7.01 -1.92 -1.28 115.95 121.79 1xqi h TRP 69 Ca 0.25 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 1xqi h TRP 69 Cb -0.04 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1xqi h TRP 69 CO -0.01 0.59 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.15 1xqi h LEU 70 N 0.42 0.76 -0.06 0.65 3.38 -1.15 -1.54 115.31 117.78 1xqi h LEU 70 Ca 0.11 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1xqi h LEU 70 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1xqi h LEU 70 CO -0.00 0.89 -0.13 -0.61 0.09 0.00 0.00 178.44 178.67 1xqi h GLN 71 N 0.62 -0.19 -0.19 1.13 4.15 -0.13 -1.20 115.11 119.29 1xqi h GLN 71 Ca 0.12 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1xqi h GLN 71 Cb 0.49 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xqi h GLN 71 CO 0.02 -0.13 -0.24 0.66 -1.93 0.00 0.00 178.83 177.22 1xqi h SER 72 N -0.20 0.54 -0.87 -0.69 4.64 -1.14 -0.96 113.55 114.87 1xqi h SER 72 Ca 0.07 -0.50 0.17 0.00 -0.47 0.00 0.00 61.79 61.06 1xqi h SER 72 Cb 0.29 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.12 1xqi h SER 72 CO -0.17 0.94 0.44 0.00 -0.87 0.00 0.00 176.83 177.16 1xqi h ALA 73 N 0.62 1.35 -0.61 5.18 0.00 -1.26 -1.93 119.26 122.62 1xqi h ALA 73 Ca 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xqi h ALA 73 Cb 0.80 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1xqi h ALA 73 CO 0.06 -0.15 0.28 0.78 0.00 0.00 0.00 179.25 180.21 1xqi h GLY 74 N 0.57 0.94 1.13 0.00 0.00 -0.61 -2.83 103.07 102.28 1xqi h GLY 74 Ca 0.50 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1xqi h GLY 74 CO -0.41 0.45 0.35 1.46 0.00 0.00 0.00 176.54 178.40 1xqi h GLN 75 N 0.83 1.12 -0.88 4.80 4.20 -0.42 -1.98 115.11 122.78 1xqi h GLN 75 Ca 0.21 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xqi h GLN 75 Cb 0.14 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1xqi h GLN 75 CO -0.02 0.87 0.58 0.87 -0.67 0.00 0.00 178.83 180.46 1xqi h LYS 76 N 1.10 1.14 -0.11 1.46 6.56 -1.22 0.26 116.57 125.75 1xqi h LYS 76 Ca 0.26 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.63 1xqi h LYS 76 Cb 0.14 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1xqi h LYS 76 CO -0.03 0.75 -0.59 1.25 -2.06 0.00 0.00 179.45 178.77 1xqi h LEU 77 N 1.17 0.43 -0.30 2.94 5.85 -1.32 0.68 115.31 124.76 1xqi h LEU 77 Ca 0.33 -0.24 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1xqi h LEU 77 Cb -0.11 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1xqi h LEU 77 CO -0.08 0.92 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.31 1xqi h LEU 78 N 0.28 0.96 0.49 2.25 3.38 -0.95 0.24 115.31 121.97 1xqi h LEU 78 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1xqi h LEU 78 Cb 1.12 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1xqi h LEU 78 CO 0.10 1.33 -0.32 0.11 0.09 0.00 0.00 178.44 179.75 1xqi h LYS 79 N 0.65 -0.74 -0.96 1.13 1.57 -0.49 -2.48 116.57 115.25 1xqi h LYS 79 Ca 0.01 0.05 0.27 0.00 -1.87 0.00 0.00 60.65 59.11 1xqi h LYS 79 Cb 1.18 0.17 -0.18 0.00 0.08 0.00 0.00 32.23 33.48 1xqi h LYS 79 CO 0.13 -0.49 0.06 0.00 -0.57 0.00 0.00 179.45 178.57 1xqi n ALA 80 N -2.53 0.53 0.07 3.86 0.00 0.23 -0.86 120.51 121.81 1xqi n ALA 80 Ca -0.09 1.02 -0.01 0.00 0.00 0.00 0.00 53.44 54.36 1xqi n ALA 80 Cb 0.32 -0.77 0.29 0.00 0.00 0.00 0.00 19.45 19.29 1xqi n ALA 80 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1xqi h TYR 81 N 0.00 0.36 0.16 0.00 0.05 -0.28 -3.16 116.97 114.10 1xqi h TYR 81 Ca 0.60 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 59.33 1xqi h TYR 81 Cb 1.27 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.89 1xqi h TYR 81 CO -0.45 0.54 -0.26 0.37 -1.05 0.00 0.00 178.16 177.31 1xqi h GLN 82 N 0.30 -0.47 0.00 4.88 4.15 -0.54 -1.28 115.11 122.14 1xqi h GLN 82 Ca 0.05 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1xqi h GLN 82 Cb 0.56 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 1xqi h GLN 82 CO 0.04 -0.31 -0.00 0.93 -1.93 0.00 0.00 178.83 177.55 1xqi h GLU 83 N -0.49 0.00 -0.02 1.69 5.08 -1.55 -2.01 114.58 117.29 1xqi h GLU 83 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xqi h GLU 83 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xqi h GLU 83 CO -0.12 0.00 -0.14 1.28 -1.00 0.00 0.00 179.01 179.03 1xqi n LEU 84 N -3.16 1.95 -0.85 1.33 7.99 -1.15 -4.99 117.00 118.12 1xqi n LEU 84 Ca -0.03 -0.89 -0.09 0.00 -0.01 0.00 0.00 56.01 54.99 1xqi n LEU 84 Cb 0.08 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.37 1xqi n LEU 84 CO 0.21 0.36 -0.10 0.61 -1.51 0.00 0.00 177.39 176.96 1xqi n GLY 85 N 0.98 0.65 3.61 -0.72 0.00 -0.76 -5.00 105.19 103.95 1xqi n GLY 85 Ca 0.08 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.39 5.08 -0.27 -0.61 1.01 -0.53 -5.02 121.20 118.47 1xqi s ILE 86 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1xqi s ILE 86 Cb 0.00 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1xqi s ILE 86 CO 0.00 0.07 1.55 -0.62 0.00 0.00 0.00 174.94 175.93 1xqi s ASP 87 N 1.59 6.39 0.55 3.58 3.68 -1.26 -4.60 116.67 126.60 1xqi s ASP 87 Ca 0.20 1.42 0.25 0.00 2.13 0.00 0.00 52.55 56.55 1xqi s ASP 87 Cb -0.16 -2.53 1.49 0.00 -1.45 0.00 0.00 42.92 40.27 1xqi s ASP 87 CO 0.10 -1.28 2.08 -0.65 0.13 0.00 0.00 175.17 175.54 1xqi h PRO 88 N 10.64 0.00 0.00 4.34 0.10 -1.94 -0.85 132.00 144.29 1xqi h PRO 88 Ca -0.31 0.00 -0.14 0.00 0.10 0.00 0.00 66.00 65.64 1xqi h PRO 88 Cb 1.14 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.22 1xqi h PRO 88 CO 1.02 0.00 -0.68 0.00 0.10 0.00 0.00 178.00 178.44 1xqi h ARG 89 N 0.00 0.00 0.09 1.05 3.08 -1.90 0.16 114.38 116.85 1xqi h ARG 89 Ca 0.12 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.91 1xqi h ARG 89 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1xqi h ARG 89 CO -0.00 0.68 -1.29 0.00 -1.07 0.00 0.00 179.97 178.29 1xqi h ALA 90 N 1.32 0.24 0.13 0.04 0.00 -1.55 -2.95 119.26 116.48 1xqi h ALA 90 Ca -0.01 -0.98 -0.26 0.00 0.00 0.00 0.00 54.91 53.67 1xqi h ALA 90 Cb 1.47 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1xqi h ALA 90 CO 0.09 1.11 -1.26 -0.22 0.00 0.00 0.00 179.25 178.97 1xqi h LYS 91 N 0.05 0.27 0.00 0.00 1.63 -1.33 -3.43 116.57 113.77 1xqi h LYS 91 Ca -0.14 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1xqi h LYS 91 Cb 1.94 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.74 1xqi h LYS 91 CO 0.17 1.22 0.00 0.44 -3.45 0.00 0.00 179.45 177.83 1xqi n ILE 92 N -3.97 0.14 -1.00 2.00 -5.35 0.52 -5.05 119.36 106.66 1xqi n ILE 92 Ca -0.22 -0.28 -0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1xqi n ILE 92 Cb 0.89 1.32 -0.00 0.00 -1.74 0.00 0.00 39.64 40.11 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 -0.07 0.40 3.51 3.28 0.00 -1.06 -4.96 105.19 106.29 1xqi n GLY 93 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 0.00 -0.01 2.61 -1.32 -1.24 -4.90 115.64 108.78 1xqi s THR 94 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1xqi s THR 94 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1xqi s THR 94 CO 0.00 0.00 0.71 -0.90 -2.21 0.00 0.00 174.62 172.22 1xqi n ASP 95 N 0.02 0.49 -4.64 8.08 5.68 -1.26 -3.89 116.55 121.02 1xqi n ASP 95 Ca -0.11 -1.45 -0.43 0.00 -0.50 0.00 0.00 54.79 52.30 1xqi n ASP 95 Cb 0.61 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 1xqi n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xqi s ASP 96 N -0.49 6.74 0.29 -1.12 3.68 -1.26 -4.92 116.67 119.59 1xqi s ASP 96 Ca 0.02 1.50 0.04 0.00 2.13 0.00 0.00 52.55 56.24 1xqi s ASP 96 Cb 0.01 -2.54 0.75 0.00 -1.45 0.00 0.00 42.92 39.70 1xqi s ASP 96 CO 0.00 -0.97 1.67 -0.65 0.13 0.00 0.00 175.17 175.36 1xqi h PRO 97 N 9.06 0.31 -0.22 4.34 0.11 -1.91 0.48 132.00 144.18 1xqi h PRO 97 Ca -0.28 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1xqi h PRO 97 Cb 1.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1xqi h PRO 97 CO 1.00 0.21 0.01 0.28 -0.21 0.00 0.00 178.00 179.29 1xqi h VAL 98 N 0.32 1.24 -0.39 3.15 2.07 -1.82 -0.34 116.25 120.48 1xqi h VAL 98 Ca 0.57 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1xqi h VAL 98 Cb 1.13 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1xqi h VAL 98 CO -0.58 0.26 0.10 -0.33 0.02 0.00 0.00 177.57 177.03 1xqi h GLU 99 N 0.16 0.57 -0.20 1.57 5.08 -1.49 -1.05 114.58 119.23 1xqi h GLU 99 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1xqi h GLU 99 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xqi h GLU 99 CO 0.01 0.52 -0.04 0.28 -1.00 0.00 0.00 179.01 178.78 1xqi h VAL 100 N 0.56 1.28 -0.88 3.13 2.07 -0.92 -2.53 116.25 118.95 1xqi h VAL 100 Ca 0.13 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.81 1xqi h VAL 100 Cb 0.21 1.53 -0.16 0.00 -1.52 0.00 0.00 31.29 31.36 1xqi h VAL 100 CO -0.00 0.30 -0.32 1.23 0.02 0.00 0.00 177.57 178.80 1xqi h GLY 101 N 0.11 0.26 2.00 2.17 0.00 -0.25 0.16 103.07 107.52 1xqi h GLY 101 Ca 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1xqi h GLY 101 CO 0.02 -0.26 -0.21 3.21 0.00 0.00 0.00 176.54 179.29 1xqi h ARG 102 N -0.03 0.00 -0.02 4.80 3.08 -1.08 -1.34 114.38 119.79 1xqi h ARG 102 Ca 0.36 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.24 1xqi h ARG 102 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1xqi h ARG 102 CO -0.91 0.21 -0.65 0.82 -1.07 0.00 0.00 179.97 178.38 1xqi h ILE 103 N 0.00 1.40 -0.76 2.04 2.04 -0.35 -2.14 117.51 119.74 1xqi h ILE 103 Ca -0.00 -2.07 0.07 0.00 1.00 0.00 0.00 64.86 63.86 1xqi h ILE 103 Cb 0.41 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.95 1xqi h ILE 103 CO 0.03 0.61 0.50 0.40 0.00 0.00 0.00 178.15 179.69 1xqi h ILE 104 N -0.00 1.01 -0.36 -0.67 2.04 -0.66 -1.52 117.51 117.34 1xqi h ILE 104 Ca -0.08 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.38 1xqi h ILE 104 Cb 1.34 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xqi h ILE 104 CO 0.13 0.14 -0.30 0.50 0.00 0.00 0.00 178.15 178.62 1xqi h LYS 105 N 0.78 0.79 -0.67 2.37 3.64 -1.11 0.13 116.57 122.50 1xqi h LYS 105 Ca 0.34 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1xqi h LYS 105 Cb 0.30 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1xqi h LYS 105 CO -0.12 0.98 0.40 0.00 -2.27 0.00 0.00 179.45 178.45 1xqi h ARG 106 N 0.67 0.75 -0.09 1.90 -0.00 -0.67 -0.65 114.38 116.28 1xqi h ARG 106 Ca 0.08 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.98 59.27 1xqi h ARG 106 Cb 0.84 -0.17 0.01 0.00 0.00 0.00 0.00 29.97 30.65 1xqi h ARG 106 CO 0.07 0.49 -0.87 -0.91 0.00 0.00 0.00 179.97 178.75 1xqi h ASN 107 N 0.77 0.88 -0.62 7.04 2.35 -0.70 -1.94 115.58 123.36 1xqi h ASN 107 Ca 0.28 -0.63 0.12 0.00 -0.55 0.00 0.00 56.30 55.52 1xqi h ASN 107 Cb 0.08 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.10 1xqi h ASN 107 CO -0.13 1.43 0.13 0.25 -1.65 0.00 0.00 177.43 177.45 1xqi h LEU 108 N 0.46 -0.00 -0.44 1.61 5.85 -0.69 -2.70 115.31 119.40 1xqi h LEU 108 Ca -0.08 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xqi h LEU 108 Cb 1.51 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 1xqi h LEU 108 CO 0.17 0.00 0.09 0.58 -0.34 0.00 0.00 178.44 178.95 1xqi h VAL 109 N 0.26 1.24 -0.93 1.05 2.07 -0.73 -2.92 116.25 116.28 1xqi h VAL 109 Ca 0.33 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1xqi h VAL 109 Cb 0.50 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1xqi h VAL 109 CO -0.42 0.30 0.56 0.11 0.02 0.00 0.00 177.57 178.14 1xqi h LYS 110 N 0.58 1.26 -1.57 1.57 1.79 -1.26 -2.54 116.57 116.41 1xqi h LYS 110 Ca 0.14 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xqi h LYS 110 Cb 0.35 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1xqi h LYS 110 CO 0.00 0.88 0.00 0.98 -1.08 0.00 0.00 179.45 180.23 1xqi n TYR 111 N -4.37 0.00 0.00 -1.35 9.36 -1.03 -2.46 117.16 117.31 1xqi n TYR 111 Ca 0.10 -0.64 0.00 0.00 3.32 0.00 0.00 57.90 60.69 1xqi n TYR 111 Cb 0.06 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 1xqi n TYR 111 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1xqi n THR 113 N 1.07 0.00 -0.60 2.97 -1.04 -0.96 -4.51 114.28 111.21 1xqi n THR 113 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1xqi n THR 113 Cb 0.43 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 69.30 1xqi n THR 113 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xqi n SER 114 N 0.00 4.88 0.00 8.00 3.41 -1.03 -4.89 113.62 124.00 1xqi n SER 114 Ca 0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1xqi n SER 114 Cb 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 1.00 1.03 3.77 5.00 0.00 -1.26 -5.05 105.19 109.68 1xqi n GLY 115 Ca 0.26 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.39 0.36 1.61 0.02 -1.26 -4.74 135.00 132.38 1xqi s PRO 116 Ca 0.00 1.69 0.07 0.00 0.02 0.00 0.00 61.00 62.78 1xqi s PRO 116 Cb 0.00 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1xqi s PRO 116 CO 0.00 -0.83 0.42 -0.80 -0.33 0.00 0.00 177.00 175.46 1xqi s ASN 117 N -1.64 5.60 -0.11 2.53 -0.87 0.63 -4.09 114.94 116.99 1xqi s ASN 117 Ca 0.71 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 51.64 1xqi s ASN 117 Cb -0.26 -0.98 0.01 0.00 -0.02 0.00 0.00 41.25 40.00 1xqi s ASN 117 CO 0.30 -0.49 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.47 1xqi s VAL 118 N -2.28 1.70 0.37 1.60 1.01 -0.89 -0.84 120.40 121.06 1xqi s VAL 118 Ca 0.46 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1xqi s VAL 118 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1xqi s VAL 118 CO 0.30 0.48 0.24 -0.69 0.00 0.00 0.00 175.10 175.42 1xqi s VAL 119 N 0.77 2.93 -0.10 2.92 1.01 -0.03 0.09 120.40 128.00 1xqi s VAL 119 Ca -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1xqi s VAL 119 Cb -0.16 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1xqi s VAL 119 CO 0.01 -0.11 0.21 -0.69 0.00 0.00 0.00 175.10 174.53 1xqi s VAL 121 N -2.44 -0.16 -0.16 2.92 1.01 -0.17 -1.31 120.40 120.09 1xqi s VAL 121 Ca 0.41 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1xqi s VAL 121 Cb -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1xqi s VAL 121 CO 0.25 0.09 0.01 -0.76 0.00 0.00 0.00 175.10 174.69 1xqi s LEU 122 N 1.67 3.54 -0.06 3.92 2.01 -0.43 -0.63 118.68 128.69 1xqi s LEU 122 Ca -0.05 -0.00 0.06 0.00 0.01 0.00 0.00 54.13 54.14 1xqi s LEU 122 Cb -0.11 -1.86 -0.01 0.00 0.01 0.00 0.00 46.19 44.21 1xqi s LEU 122 CO -0.07 0.20 -0.24 -0.75 1.01 0.00 0.00 176.35 176.50 1xqi s LYS 123 N 0.20 2.44 0.00 1.70 2.20 -0.19 -0.04 119.74 126.05 1xqi s LYS 123 Ca 0.01 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1xqi s LYS 123 Cb -0.13 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1xqi s LYS 123 CO 0.02 0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 1xqi n GLY 124 N 3.01 1.52 3.61 5.54 0.00 -0.59 -1.32 105.19 116.95 1xqi n GLY 124 Ca -0.18 -0.96 -0.59 0.00 0.00 0.00 0.00 46.02 44.29 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 0.98 -4.27 1.61 5.15 -1.26 -2.23 115.26 115.24 1xqi n ASN 125 Ca 0.00 1.15 -0.37 0.00 -0.60 0.00 0.00 54.58 54.75 1xqi n ASN 125 Cb 0.00 -1.00 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 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 2.85 -2.78 -0.24 1.20 1.74 -1.26 -4.88 116.66 113.29 1xqi n ARG 126 Ca 0.23 0.34 0.10 0.00 -0.77 0.00 0.00 57.85 57.75 1xqi n ARG 126 Cb 0.08 -5.05 0.37 0.00 -1.02 0.00 0.00 32.46 26.84 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 1.80 0.29 7.54 0.00 -1.69 -0.86 119.26 127.25 1xqi h ALA 127 Ca -0.59 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1xqi h ALA 127 Cb 1.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xqi h ALA 127 CO 0.80 -0.00 -0.14 0.28 0.00 0.00 0.00 179.25 180.19 1xqi h VAL 128 N 0.71 0.73 -0.18 0.00 2.07 -1.89 0.15 116.25 117.85 1xqi h VAL 128 Ca 0.41 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.63 1xqi h VAL 128 Cb 0.59 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1xqi h VAL 128 CO -0.17 0.04 -0.40 -0.08 0.02 0.00 0.00 177.57 176.98 1xqi h GLU 129 N -0.49 0.41 0.06 1.57 4.81 -1.78 -2.37 114.58 116.79 1xqi h GLU 129 Ca -0.04 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1xqi h GLU 129 Cb 0.37 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xqi h GLU 129 CO 0.07 0.75 -0.03 0.82 -0.73 0.00 0.00 179.01 179.89 1xqi h ILE 130 N 0.35 1.21 -0.96 2.32 5.03 -0.73 -1.59 117.51 123.14 1xqi h ILE 130 Ca 0.03 -1.03 0.07 0.00 -0.12 0.00 0.00 64.86 63.82 1xqi h ILE 130 Cb 0.86 1.87 -0.06 0.00 -3.03 0.00 0.00 36.82 36.46 1xqi h ILE 130 CO 0.07 0.25 0.62 0.58 -0.68 0.00 0.00 178.15 178.99 1xqi h VAL 131 N -0.55 1.06 -0.24 1.67 2.07 -0.71 -0.79 116.25 118.76 1xqi h VAL 131 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1xqi h VAL 131 Cb 0.48 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xqi h VAL 131 CO 0.01 0.20 0.12 0.03 0.02 0.00 0.00 177.57 177.95 1xqi h ARG 132 N 1.08 0.33 -0.02 1.57 3.08 -1.37 -0.15 114.38 118.91 1xqi h ARG 132 Ca 0.42 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1xqi h ARG 132 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1xqi h ARG 132 CO -0.17 0.32 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.80 1xqi h LYS 133 N 0.26 -0.05 -0.82 0.04 3.64 -0.72 -1.06 116.57 117.86 1xqi h LYS 133 Ca 0.08 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1xqi h LYS 133 Cb 0.09 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1xqi h LYS 133 CO -0.01 -0.03 0.54 -0.07 -2.27 0.00 0.00 179.45 177.60 1xqi h LEU 134 N -0.05 0.86 -0.34 5.20 4.07 -1.06 -2.87 115.31 121.11 1xqi h LEU 134 Ca 0.02 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 1xqi h LEU 134 Cb 0.09 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1xqi h LEU 134 CO -0.06 0.58 -0.24 0.58 -1.08 0.00 0.00 178.44 178.23 1xqi h VAL 135 N 0.99 1.29 0.00 1.22 2.07 -0.38 0.52 116.25 121.96 1xqi h VAL 135 Ca 0.33 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1xqi h VAL 135 Cb 0.07 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1xqi h VAL 135 CO -0.10 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1xqi n GLY 136 N 0.04 -0.45 3.61 2.17 0.00 -0.46 -1.26 105.19 108.84 1xqi n GLY 136 Ca -0.03 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.95 -0.17 0.36 1.61 0.04 -1.26 -4.88 135.00 128.74 1xqi s PRO 137 Ca 0.00 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.66 1xqi s PRO 137 Cb 0.00 -1.66 0.67 0.00 0.04 0.00 0.00 34.50 33.55 1xqi s PRO 137 CO 0.00 -3.15 1.92 0.00 0.04 0.00 0.00 177.00 175.81 1xqi h THR 138 N -2.20 1.18 -3.64 1.26 1.03 -1.98 -3.39 112.91 105.17 1xqi h THR 138 Ca -0.58 -0.65 -0.63 0.00 -0.01 0.00 0.00 66.41 64.55 1xqi h THR 138 Cb 1.34 0.85 -0.17 0.00 -1.07 0.00 0.00 68.15 69.10 1xqi h THR 138 CO 0.55 0.23 -0.53 -0.94 -0.01 0.00 0.00 175.52 174.82 1xqi s SER 139 N -6.73 5.89 0.26 0.00 1.04 -1.26 -4.77 113.70 108.12 1xqi s SER 139 Ca -0.08 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.34 1xqi s SER 139 Cb 0.16 -2.07 0.32 0.00 0.10 0.00 0.00 66.02 64.53 1xqi s SER 139 CO 0.76 0.03 1.91 -0.65 0.98 0.00 0.00 173.24 176.27 1xqi h PRO 140 N 7.75 1.26 -0.96 4.02 0.11 -1.75 -2.46 132.00 139.97 1xqi h PRO 140 Ca -0.37 -0.08 0.19 0.00 0.11 0.00 0.00 66.00 65.85 1xqi h PRO 140 Cb 1.18 -0.28 -0.09 0.00 0.11 0.00 0.00 31.00 31.92 1xqi h PRO 140 CO 0.62 0.83 0.61 1.12 -0.21 0.00 0.00 178.00 180.97 1xqi h HIS 141 N 1.30 0.82 -0.48 0.65 2.07 -1.54 0.89 115.15 118.87 1xqi h HIS 141 Ca 0.39 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 1xqi h HIS 141 Cb -0.03 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 29.70 1xqi h HIS 141 CO -0.00 0.21 0.00 -1.13 -3.07 0.00 0.00 177.93 173.94 1xqi n SER 142 N -4.63 3.53 -4.71 3.10 3.41 -1.08 -4.94 113.62 108.29 1xqi n SER 142 Ca 0.21 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.41 1xqi n SER 142 Cb 0.62 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.38 3.32 0.57 7.33 0.00 0.31 -4.96 121.76 126.95 1xqi s ALA 143 Ca 0.41 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 1xqi s ALA 143 Cb 0.23 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1xqi s ALA 143 CO 0.32 -0.38 1.35 -2.14 0.00 0.00 0.00 175.76 174.91 1xqi s PRO 144 N 1.09 2.97 0.33 0.00 0.02 -1.26 -4.25 135.00 133.91 1xqi s PRO 144 Ca 0.56 2.20 -0.29 0.00 0.02 0.00 0.00 61.00 63.49 1xqi s PRO 144 Cb -0.26 -2.14 -0.11 0.00 0.02 0.00 0.00 34.50 32.00 1xqi s PRO 144 CO 0.28 -1.31 1.50 -2.14 -0.33 0.00 0.00 177.00 175.00 1xqi s PRO 145 N -3.04 4.15 0.00 5.54 0.02 -1.26 -2.32 135.00 138.09 1xqi s PRO 145 Ca 0.75 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.28 1xqi s PRO 145 Cb -0.40 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1xqi s PRO 145 CO 0.46 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1xqi n GLY 146 N 1.24 1.49 3.88 0.52 0.00 -1.26 -5.02 105.19 106.04 1xqi n GLY 146 Ca 0.04 0.00 -0.30 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 -1.83 4.77 0.15 2.61 -4.23 -0.98 -4.94 115.64 111.20 1xqi s THR 147 Ca 0.00 0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 61.00 1xqi s THR 147 Cb 0.00 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 70.04 1xqi s THR 147 CO 0.00 -0.90 1.75 0.40 -0.54 0.00 0.00 174.62 175.33 1xqi h ILE 148 N 0.22 1.18 -0.17 2.99 2.04 -0.83 -1.06 117.51 121.88 1xqi h ILE 148 Ca -0.46 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 1xqi h ILE 148 Cb 1.19 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1xqi h ILE 148 CO 0.62 0.19 -0.47 0.03 0.00 0.00 0.00 178.15 178.52 1xqi h ARG 149 N 0.62 0.42 0.00 2.37 3.08 -1.42 -1.99 114.38 117.47 1xqi h ARG 149 Ca 0.16 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1xqi h ARG 149 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1xqi h ARG 149 CO -0.02 0.81 -0.62 0.78 -1.07 0.00 0.00 179.97 179.85 1xqi h GLY 150 N 1.17 0.00 0.78 0.04 0.00 -1.67 -3.06 103.07 100.33 1xqi h GLY 150 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1xqi h GLY 150 CO 0.08 0.00 -1.18 1.22 0.00 0.00 0.00 176.54 176.66 1xqi n ASP 151 N -3.68 0.66 0.00 0.19 10.43 -0.42 -4.51 116.55 119.23 1xqi n ASP 151 Ca -0.01 0.21 0.00 0.00 2.57 0.00 0.00 54.79 57.57 1xqi n ASP 151 Cb 0.64 0.76 0.00 0.00 1.84 0.00 0.00 41.12 44.36 1xqi n ASP 151 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1xqi n TYR 152 N -2.52 0.00 -3.54 1.24 4.02 -0.76 -5.06 117.16 110.54 1xqi n TYR 152 Ca -0.01 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.90 57.35 1xqi n TYR 152 Cb 0.54 -0.04 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 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 -0.76 -0.56 -0.03 7.72 0.15 -1.16 -5.03 113.70 114.03 1xqi s SER 153 Ca 0.00 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1xqi s SER 153 Cb 0.00 0.52 0.08 0.00 -1.71 0.00 0.00 66.02 64.90 1xqi s SER 153 CO 0.00 -0.67 0.94 2.30 1.20 0.00 0.00 173.24 177.00 1xqi n ILE 154 N 0.63 0.61 -1.42 6.45 -5.35 -1.26 -4.43 119.36 114.61 1xqi n ILE 154 Ca -0.19 -0.71 -0.33 0.00 -0.27 0.00 0.00 62.75 61.25 1xqi n ILE 154 Cb 0.59 0.41 0.09 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.29 4.44 0.03 7.28 2.15 -1.26 -4.55 116.67 123.47 1xqi s ASP 155 Ca 0.08 2.07 -0.12 0.00 0.43 0.00 0.00 52.55 55.01 1xqi s ASP 155 Cb 0.07 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1xqi s ASP 155 CO 0.01 -2.08 0.26 -0.94 -0.17 0.00 0.00 175.17 172.24 1xqi s SER 156 N -2.65 -0.07 0.52 -0.34 1.04 -1.26 -1.70 113.70 109.24 1xqi s SER 156 Ca 0.67 -0.21 0.29 0.00 0.48 0.00 0.00 55.95 57.19 1xqi s SER 156 Cb -0.22 0.32 1.39 0.00 0.10 0.00 0.00 66.02 67.60 1xqi s SER 156 CO 0.48 -0.55 2.02 -0.65 0.98 0.00 0.00 173.24 175.51 1xqi h PRO 157 N 3.46 0.00 -0.19 4.02 0.11 -1.97 -2.37 132.00 135.06 1xqi h PRO 157 Ca -0.31 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1xqi h PRO 157 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xqi h PRO 157 CO 0.45 0.12 -0.02 0.38 -0.21 0.00 0.00 178.00 178.72 1xqi h ASP 158 N 0.00 0.36 -0.34 -2.05 2.03 -1.97 -1.92 116.42 112.53 1xqi h ASP 158 Ca -0.00 -0.34 0.01 0.00 -0.73 0.00 0.00 57.03 55.97 1xqi h ASP 158 Cb 0.45 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 1xqi h ASP 158 CO 0.01 0.61 0.22 0.25 -1.03 0.00 0.00 179.24 179.30 1xqi h LEU 159 N 0.10 0.37 -0.33 0.15 6.46 -1.94 -1.09 115.31 119.02 1xqi h LEU 159 Ca 0.05 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1xqi h LEU 159 Cb 0.44 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 1xqi h LEU 159 CO 0.01 0.27 0.00 0.00 -0.62 0.00 0.00 178.44 178.10 1xqi h ALA 160 N 1.14 0.30 -0.24 1.25 0.00 -1.48 -1.55 119.26 118.68 1xqi h ALA 160 Ca 0.13 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1xqi h ALA 160 Cb -0.03 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1xqi h ALA 160 CO -0.04 -0.40 -0.19 0.00 0.00 0.00 0.00 179.25 178.62 1xqi h ALA 161 N 1.29 -0.05 0.00 0.00 0.00 -1.12 -2.21 119.26 117.17 1xqi h ALA 161 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xqi h ALA 161 Cb 0.22 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xqi h ALA 161 CO -0.27 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 178.76 1xqi n GLU 162 N -5.35 0.12 -0.12 0.00 1.02 -0.43 -2.40 120.64 113.49 1xqi n GLU 162 Ca -0.01 0.30 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1xqi n GLU 162 Cb 0.26 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1xqi n GLU 162 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xqi n GLU 163 N -1.94 2.23 -3.41 3.49 1.02 -0.65 -5.02 120.64 116.36 1xqi n GLU 163 Ca 0.03 -1.78 -0.18 0.00 -0.02 0.00 0.00 57.16 55.22 1xqi n GLU 163 Cb 0.24 -1.24 0.07 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.49 -0.68 3.55 0.62 0.00 -0.88 -5.04 105.19 103.25 1xqi n GLY 164 Ca 0.10 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -5.12 1.57 0.83 1.61 1.70 -0.97 -5.06 118.95 113.50 1xqi s ARG 165 Ca 0.20 -1.33 -0.12 0.00 -0.47 0.00 0.00 55.73 54.00 1xqi s ARG 165 Cb -0.03 0.46 0.09 0.00 -0.57 0.00 0.00 34.95 34.90 1xqi s ARG 165 CO 0.75 -0.65 1.18 0.14 -1.08 0.00 0.00 175.30 175.64 1xqi s VAL 166 N -3.91 2.00 0.20 4.99 -7.23 -1.26 -4.32 120.40 110.88 1xqi s VAL 166 Ca 0.24 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 1xqi s VAL 166 Cb -0.00 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 1xqi s VAL 166 CO 0.10 0.00 1.11 -0.69 -0.31 0.00 0.00 175.10 175.31 1xqi s VAL 167 N -3.55 3.75 -1.32 1.32 1.01 -1.26 -4.86 120.40 115.49 1xqi s VAL 167 Ca 0.63 1.57 -0.17 0.00 0.00 0.00 0.00 61.98 64.00 1xqi s VAL 167 Cb -0.11 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1xqi s VAL 167 CO 0.50 0.29 1.99 0.49 0.00 0.00 0.00 175.10 178.37 1xqi n PHE 168 N 2.09 3.81 -1.10 5.22 0.99 -1.26 -4.78 117.46 122.44 1xqi n PHE 168 Ca 0.02 -2.74 -0.07 0.00 -0.00 0.00 0.00 57.45 54.67 1xqi n PHE 168 Cb 0.46 -2.53 0.28 0.00 -1.00 0.00 0.00 39.48 36.69 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 7.65 4.48 0.00 4.37 2.04 -1.26 -4.71 115.26 127.83 1xqi n ASN 169 Ca 0.50 -3.30 0.00 0.00 -0.44 0.00 0.00 54.58 51.34 1xqi n ASN 169 Cb 0.42 -0.73 0.00 0.00 -2.53 0.00 0.00 39.78 36.94 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 -0.36 0.00 -3.85 -4.53 4.77 -1.26 -4.85 117.00 106.91 1xqi n LEU 170 Ca 0.41 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1xqi n LEU 170 Cb 1.36 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.40 1xqi n LEU 170 CO 0.42 0.00 0.11 0.68 -1.33 0.00 0.00 177.39 177.27 1xqi s VAL 171 N 0.00 0.05 -0.14 4.08 -7.23 -1.26 -1.41 120.40 114.49 1xqi s VAL 171 Ca 0.00 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1xqi s VAL 171 Cb 0.00 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.26 1xqi s VAL 171 CO 0.00 -0.23 -0.15 -2.28 -0.31 0.00 0.00 175.10 172.13 1xqi s HIS 172 N -3.92 2.17 -0.10 2.82 2.46 -0.81 -4.96 115.29 112.95 1xqi s HIS 172 Ca 0.13 -1.15 0.01 0.00 0.47 0.00 0.00 55.06 54.52 1xqi s HIS 172 Cb 0.01 -1.57 -0.02 0.00 -0.13 0.00 0.00 32.58 30.87 1xqi s HIS 172 CO -0.02 -0.61 -0.13 0.00 -2.47 0.00 0.00 174.74 171.52 1xqi s ALA 173 N 1.26 2.66 0.33 1.58 0.00 -1.26 -1.52 121.76 124.81 1xqi s ALA 173 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1xqi s ALA 173 Cb -0.14 -1.15 -0.13 0.00 0.00 0.00 0.00 23.12 21.70 1xqi s ALA 173 CO -0.07 0.36 0.88 0.43 0.00 0.00 0.00 175.76 177.35 1xqi n SER 174 N 3.09 0.65 -0.04 0.00 7.64 -0.81 -4.87 113.62 119.28 1xqi n SER 174 Ca -0.18 1.10 0.11 0.00 1.01 0.00 0.00 58.87 60.91 1xqi n SER 174 Cb 0.53 -1.24 0.06 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.16 0.86 -3.63 6.43 3.85 -1.26 -4.88 116.55 119.07 1xqi n ASP 175 Ca 0.11 -0.72 -0.10 0.00 -0.71 0.00 0.00 54.79 53.36 1xqi n ASP 175 Cb 0.34 0.63 -0.04 0.00 -1.35 0.00 0.00 41.12 40.70 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 -2.95 -0.31 0.32 -1.12 1.04 -1.26 -4.99 113.70 104.43 1xqi s SER 176 Ca 0.11 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1xqi s SER 176 Cb 0.17 0.54 0.65 0.00 0.10 0.00 0.00 66.02 67.48 1xqi s SER 176 CO 0.77 -0.96 1.87 -0.65 0.98 0.00 0.00 173.24 175.26 1xqi h PRO 177 N 2.23 0.86 -0.26 4.02 0.11 -1.93 -0.73 132.00 136.30 1xqi h PRO 177 Ca -0.32 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1xqi h PRO 177 Cb 1.27 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xqi h PRO 177 CO 0.41 0.57 -0.39 0.66 -0.21 0.00 0.00 178.00 179.04 1xqi h SER 178 N 0.89 0.79 -0.88 -2.05 4.64 -1.98 -2.41 113.55 112.55 1xqi h SER 178 Ca 0.44 -0.52 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1xqi h SER 178 Cb 0.49 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 1xqi h SER 178 CO -0.21 1.16 0.58 -0.33 -0.87 0.00 0.00 176.83 177.16 1xqi h GLU 179 N 0.45 1.09 -0.42 4.77 4.39 -1.85 -2.83 114.58 120.18 1xqi h GLU 179 Ca 0.02 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1xqi h GLU 179 Cb 0.99 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1xqi h GLU 179 CO 0.09 0.72 0.19 0.00 -1.16 0.00 0.00 179.01 178.85 1xqi h ALA 180 N 1.48 0.54 -0.55 3.43 0.00 -0.94 0.14 119.26 123.35 1xqi h ALA 180 Ca 0.34 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1xqi h ALA 180 Cb -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1xqi h ALA 180 CO -0.10 0.11 0.21 1.05 0.00 0.00 0.00 179.25 180.52 1xqi h GLU 181 N 0.53 0.38 -0.53 0.00 -0.00 -1.32 0.96 114.58 114.61 1xqi h GLU 181 Ca 0.14 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 59.38 1xqi h GLU 181 Cb 0.14 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 28.79 1xqi h GLU 181 CO -0.02 0.25 -0.06 -0.09 -0.00 0.00 0.00 179.01 179.09 1xqi h ARG 182 N 0.39 0.98 0.10 1.06 2.43 -1.14 -2.60 114.38 115.59 1xqi h ARG 182 Ca 0.27 -0.35 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 1xqi h ARG 182 Cb 0.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xqi h ARG 182 CO -0.27 1.02 -1.17 0.93 -1.51 0.00 0.00 179.97 178.97 1xqi h GLU 183 N 0.85 0.27 -0.01 0.20 5.08 -0.19 -1.90 114.58 118.87 1xqi h GLU 183 Ca 0.14 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1xqi h GLU 183 Cb 0.62 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1xqi h GLU 183 CO 0.04 1.18 -0.17 0.82 -1.00 0.00 0.00 179.01 179.88 1xqi h ILE 184 N 0.09 0.59 -0.89 3.13 2.04 -0.85 -2.70 117.51 118.92 1xqi h ILE 184 Ca -0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1xqi h ILE 184 Cb 1.88 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 1xqi h ILE 184 CO 0.19 0.00 0.58 0.03 0.00 0.00 0.00 178.15 178.95 1xqi h ARG 185 N -0.27 1.10 -0.18 2.37 3.08 -1.35 0.39 114.38 119.52 1xqi h ARG 185 Ca 0.06 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1xqi h ARG 185 Cb 0.34 -0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1xqi h ARG 185 CO -0.17 0.73 -0.25 0.35 -1.07 0.00 0.00 179.97 179.56 1xqi h PHE 186 N 1.13 -0.66 0.00 3.04 3.57 -1.27 -3.21 116.94 119.54 1xqi h PHE 186 Ca 0.35 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.65 1xqi h PHE 186 Cb -0.02 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1xqi h PHE 186 CO -0.02 -0.33 -1.24 -1.49 -2.23 0.00 0.00 178.31 173.00 1xqi h TRP 187 N -0.29 0.00 -4.03 0.41 4.06 -1.08 -3.47 115.95 111.55 1xqi h TRP 187 Ca 0.11 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.54 1xqi h TRP 187 Cb 0.46 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.32 1xqi h TRP 187 CO -0.37 0.96 -0.83 -0.06 -3.56 0.00 0.00 178.44 174.59 1xqi s PHE 188 N -2.69 1.50 0.55 0.49 0.40 0.07 -5.12 117.98 113.19 1xqi s PHE 188 Ca -0.01 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1xqi s PHE 188 Cb 0.09 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.55 1xqi s PHE 188 CO 0.82 -0.10 1.00 1.03 0.70 0.00 0.00 175.22 178.67 1xqi s ARG 189 N -0.10 3.81 0.65 0.44 0.52 -1.26 -4.42 118.95 118.59 1xqi s ARG 189 Ca 0.00 0.92 0.34 0.00 -0.52 0.00 0.00 55.73 56.48 1xqi s ARG 189 Cb -0.09 -2.11 1.90 0.00 0.52 0.00 0.00 34.95 35.16 1xqi s ARG 189 CO 0.01 -0.39 2.11 0.93 0.02 0.00 0.00 175.30 177.99 1xqi h GLU 190 N 0.57 0.00 0.00 3.54 4.39 -1.94 -0.05 114.58 121.09 1xqi h GLU 190 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1xqi h GLU 190 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1xqi h GLU 190 CO 0.61 0.00 0.00 1.05 -1.16 0.00 0.00 179.01 179.51 1xqi h GLU 191 N 0.00 0.00 0.00 2.33 4.11 -2.04 -3.23 114.58 115.75 1xqi h GLU 191 Ca 0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.19 1xqi h GLU 191 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1xqi h GLU 191 CO -0.00 0.00 -1.84 0.39 0.07 0.00 0.00 179.01 177.63 1xqi n GLU 192 N -2.66 0.65 -2.83 1.06 1.02 -0.03 -4.73 120.64 113.11 1xqi n GLU 192 Ca 0.02 0.17 -0.43 0.00 -0.02 0.00 0.00 57.16 56.90 1xqi n GLU 192 Cb 0.31 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.69 4.51 -0.16 2.62 1.01 -1.22 -4.57 120.40 119.90 1xqi s VAL 193 Ca -0.06 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 1xqi s VAL 193 Cb 0.08 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1xqi s VAL 193 CO 0.83 -1.62 1.62 -0.76 0.00 0.00 0.00 175.10 175.17 1xqi s LEU 194 N 3.32 4.05 0.00 3.92 2.01 -0.04 -5.01 118.68 126.94 1xqi s LEU 194 Ca 0.36 1.85 0.19 0.00 0.01 0.00 0.00 54.13 56.54 1xqi s LEU 194 Cb -0.04 -3.53 1.16 0.00 0.01 0.00 0.00 46.19 43.79 1xqi s LEU 194 CO -0.09 -1.12 1.55 -0.62 1.01 0.00 0.00 176.35 177.08