#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqi s VAL 15 N 0.00 2.61 0.53 0.52 1.01 -1.26 -4.97 120.40 118.85 1xqi s VAL 15 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1xqi s VAL 15 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1xqi s VAL 15 CO 0.00 0.11 1.15 -0.70 0.00 0.00 0.00 175.10 175.67 1xqi s GLU 16 N -1.13 3.37 0.12 2.72 2.12 -1.26 -4.83 118.70 119.81 1xqi s GLU 16 Ca 0.54 1.69 0.03 0.00 0.36 0.00 0.00 54.97 57.60 1xqi s GLU 16 Cb -0.42 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1xqi s GLU 16 CO 0.49 -0.85 -0.09 0.15 -0.54 0.00 0.00 175.26 174.42 1xqi s LYS 17 N -3.17 0.96 0.10 4.30 1.02 -1.26 -1.81 119.74 119.88 1xqi s LYS 17 Ca 0.72 -1.37 -0.10 0.00 0.02 0.00 0.00 55.97 55.24 1xqi s LYS 17 Cb -0.26 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1xqi s LYS 17 CO 0.30 0.05 0.22 -0.08 -0.92 0.00 0.00 175.35 174.92 1xqi s THR 18 N -3.31 0.13 -0.17 2.17 -1.32 0.13 -4.69 115.64 108.58 1xqi s THR 18 Ca 0.14 -1.13 -0.05 0.00 -1.21 0.00 0.00 61.69 59.43 1xqi s THR 18 Cb 0.03 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1xqi s THR 18 CO -0.01 -0.58 0.00 -0.22 -2.21 0.00 0.00 174.62 171.60 1xqi s LEU 19 N -2.87 3.44 -0.06 9.08 1.98 -1.26 -1.21 118.68 127.79 1xqi s LEU 19 Ca 0.06 -0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.28 1xqi s LEU 19 Cb 0.04 -1.85 -0.01 0.00 0.66 0.00 0.00 46.19 45.03 1xqi s LEU 19 CO -0.10 0.15 -0.23 -0.22 -1.89 0.00 0.00 176.35 174.06 1xqi s LEU 20 N 0.50 2.02 -0.17 -0.68 2.96 -1.26 -1.97 118.68 120.08 1xqi s LEU 20 Ca -0.01 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1xqi s LEU 20 Cb -0.14 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1xqi s LEU 20 CO 0.02 0.21 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.45 1xqi s ILE 21 N -0.07 2.26 -0.16 6.68 1.01 -0.24 -4.41 121.20 126.27 1xqi s ILE 21 Ca -0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 1xqi s ILE 21 Cb -0.13 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1xqi s ILE 21 CO 0.04 0.53 0.92 -0.76 0.00 0.00 0.00 174.94 175.66 1xqi s LEU 22 N 1.14 4.18 0.65 2.97 2.01 0.12 -2.04 118.68 127.71 1xqi s LEU 22 Ca 0.01 1.30 -0.07 0.00 0.01 0.00 0.00 54.13 55.38 1xqi s LEU 22 Cb -0.14 -3.37 0.02 0.00 0.01 0.00 0.00 46.19 42.71 1xqi s LEU 22 CO -0.08 -0.46 0.97 -0.54 1.01 0.00 0.00 176.35 177.25 1xqi s LYS 23 N 2.31 2.70 0.26 1.70 1.02 -0.08 -1.90 119.74 125.75 1xqi s LYS 23 Ca 0.42 0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.40 1xqi s LYS 23 Cb -0.17 -2.19 0.42 0.00 -0.52 0.00 0.00 37.83 35.37 1xqi s LYS 23 CO 0.13 -0.92 1.84 -1.35 -0.92 0.00 0.00 175.35 174.12 1xqi h PRO 24 N -0.39 0.91 -0.01 -1.68 0.11 -1.80 -1.44 132.00 127.70 1xqi h PRO 24 Ca -0.45 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1xqi h PRO 24 Cb 1.27 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1xqi h PRO 24 CO 0.61 0.61 -0.40 0.38 -0.21 0.00 0.00 178.00 178.99 1xqi h ASP 25 N 0.94 -1.21 -0.36 -2.05 -0.00 -1.90 0.43 116.42 112.28 1xqi h ASP 25 Ca 0.42 0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 57.59 1xqi h ASP 25 Cb 0.32 0.48 -0.02 0.00 -0.00 0.00 0.00 39.33 40.10 1xqi h ASP 25 CO -0.22 -0.44 0.19 0.00 -0.00 0.00 0.00 179.24 178.77 1xqi h ALA 26 N 0.05 1.60 -0.50 4.15 0.00 -1.62 -0.19 119.26 122.75 1xqi h ALA 26 Ca 0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1xqi h ALA 26 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xqi h ALA 26 CO -0.31 0.33 -0.19 0.28 0.00 0.00 0.00 179.25 179.36 1xqi h VAL 27 N 0.55 1.27 -0.15 0.00 2.07 -0.81 -2.35 116.25 116.83 1xqi h VAL 27 Ca 0.14 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1xqi h VAL 27 Cb 0.06 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xqi h VAL 27 CO -0.02 0.47 -0.41 0.00 0.02 0.00 0.00 177.57 177.62 1xqi h ALA 28 N 0.91 1.01 0.00 1.67 0.00 0.24 -2.30 119.26 120.78 1xqi h ALA 28 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xqi h ALA 28 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xqi h ALA 28 CO 0.06 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.47 1xqi n ARG 29 N -4.02 0.62 -1.47 0.00 1.74 -0.20 -4.90 116.66 108.44 1xqi n ARG 29 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1xqi n ARG 29 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.10 0.63 0.95 -0.13 0.00 -0.86 -4.97 105.19 101.90 1xqi n GLY 30 Ca 0.17 -0.77 0.09 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 0.00 2.76 -0.19 0.99 4.77 -0.89 -4.29 117.00 120.15 1xqi n LEU 31 Ca 0.00 -1.36 -0.08 0.00 -0.03 0.00 0.00 56.01 54.54 1xqi n LEU 31 Cb 0.32 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1xqi n LEU 31 CO 0.00 0.68 0.96 0.58 -1.33 0.00 0.00 177.39 178.28 1xqi h VAL 32 N 3.07 1.22 0.04 4.08 2.07 -1.87 -2.21 116.25 122.67 1xqi h VAL 32 Ca 0.00 -0.71 -0.26 0.00 0.82 0.00 0.00 66.70 66.55 1xqi h VAL 32 Cb 0.70 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xqi h VAL 32 CO 0.00 0.27 -1.07 -2.24 0.02 0.00 0.00 177.57 174.55 1xqi h ASP 33 N 0.76 0.70 -0.41 0.57 3.04 -1.98 -1.96 116.42 117.14 1xqi h ASP 33 Ca 0.18 -0.60 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 1xqi h ASP 33 Cb 0.22 -0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1xqi h ASP 33 CO -0.01 1.41 0.26 -0.33 -2.04 0.00 0.00 179.24 178.52 1xqi h GLU 34 N 0.27 0.54 -0.27 4.15 5.08 -1.80 0.61 114.58 123.16 1xqi h GLU 34 Ca -0.12 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1xqi h GLU 34 Cb 1.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1xqi h GLU 34 CO 0.20 0.38 0.00 0.82 -1.00 0.00 0.00 179.01 179.41 1xqi h ILE 35 N 0.54 1.25 -0.85 3.13 2.04 -1.40 -2.50 117.51 119.73 1xqi h ILE 35 Ca 0.15 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.16 1xqi h ILE 35 Cb -0.03 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1xqi h ILE 35 CO -0.03 0.29 0.52 0.40 0.00 0.00 0.00 178.15 179.33 1xqi h ILE 36 N 0.26 1.01 -1.00 -0.67 2.04 -1.16 -2.53 117.51 115.47 1xqi h ILE 36 Ca 0.08 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1xqi h ILE 36 Cb 0.42 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 1xqi h ILE 36 CO 0.01 0.17 0.65 -1.28 0.00 0.00 0.00 178.15 177.70 1xqi h SER 37 N 0.92 1.03 -0.28 1.72 0.87 -0.43 -1.76 113.55 115.63 1xqi h SER 37 Ca 0.38 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1xqi h SER 37 Cb 0.22 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1xqi h SER 37 CO -0.19 0.66 0.06 0.03 -0.53 0.00 0.00 176.83 176.87 1xqi h ARG 38 N 1.17 0.54 0.15 2.24 2.47 -1.21 -0.82 114.38 118.94 1xqi h ARG 38 Ca 0.43 -0.10 -0.25 0.00 -1.26 0.00 0.00 59.98 58.80 1xqi h ARG 38 Cb 0.15 -0.09 0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1xqi h ARG 38 CO -0.17 0.52 -1.06 0.74 0.56 0.00 0.00 179.97 180.57 1xqi h PHE 39 N 0.53 0.78 -0.75 3.04 0.05 -1.28 -2.81 116.94 116.51 1xqi h PHE 39 Ca 0.12 -0.53 0.06 0.00 3.82 0.00 0.00 57.97 61.44 1xqi h PHE 39 Cb 0.25 -0.05 -0.06 0.00 2.00 0.00 0.00 35.95 38.10 1xqi h PHE 39 CO 0.01 1.40 0.44 -0.22 -0.18 0.00 0.00 178.31 179.76 1xqi h LYS 40 N -0.06 0.79 0.00 1.51 3.64 -1.26 -1.82 116.57 119.37 1xqi h LYS 40 Ca -0.18 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1xqi h LYS 40 Cb 1.81 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1xqi h LYS 40 CO 0.20 0.52 -0.19 0.87 -2.27 0.00 0.00 179.45 178.59 1xqi h LYS 41 N 0.82 0.00 0.00 1.90 1.57 -1.10 -2.48 116.57 117.27 1xqi h LYS 41 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1xqi h LYS 41 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xqi h LYS 41 CO -0.17 0.19 -0.19 0.00 -0.57 0.00 0.00 179.45 178.70 1xqi h ALA 42 N 1.81 0.88 0.00 3.86 0.00 -1.09 -3.47 119.26 121.26 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 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 1.25 0.82 3.76 0.00 0.00 -0.94 -5.10 105.19 104.99 1xqi n GLY 43 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 4.51 -0.13 0.99 1.43 -0.80 -4.88 118.68 119.80 1xqi s LEU 44 Ca 0.00 2.06 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1xqi s LEU 44 Cb 0.00 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1xqi s LEU 44 CO 0.00 -0.06 0.16 -1.59 0.23 0.00 0.00 176.35 175.09 1xqi s LYS 45 N -1.56 3.62 -0.27 1.70 0.00 -0.64 -4.15 119.74 118.45 1xqi s LYS 45 Ca 0.46 -0.11 -0.28 0.00 0.00 0.00 0.00 55.97 56.03 1xqi s LYS 45 Cb -0.27 -3.24 0.01 0.00 0.00 0.00 0.00 37.83 34.34 1xqi s LYS 45 CO 0.34 0.68 1.02 0.42 0.00 0.00 0.00 175.35 177.80 1xqi s ILE 46 N -0.74 4.64 -1.13 3.79 1.01 -1.26 -1.51 121.20 126.00 1xqi s ILE 46 Ca 0.14 1.83 0.10 0.00 0.00 0.00 0.00 60.65 62.72 1xqi s ILE 46 Cb -0.12 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.08 1xqi s ILE 46 CO 0.03 -0.28 0.74 1.33 0.00 0.00 0.00 174.94 176.76 1xqi n VAL 47 N 5.53 0.00 -3.62 2.92 0.24 -0.46 -4.98 118.33 117.96 1xqi n VAL 47 Ca 0.11 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1xqi n VAL 47 Cb 0.47 1.17 -0.07 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 -1.05 -1.78 -0.29 2.33 0.00 -1.24 -2.07 121.76 117.66 1xqi s ALA 48 Ca 0.10 1.97 -0.13 0.00 0.00 0.00 0.00 51.96 53.91 1xqi s ALA 48 Cb 0.08 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.23 1xqi s ALA 48 CO 0.18 -0.34 0.69 -1.17 0.00 0.00 0.00 175.76 175.11 1xqi s LEU 49 N 0.26 -1.03 0.00 0.00 0.20 -1.25 -1.08 118.68 115.78 1xqi s LEU 49 Ca -0.01 1.51 0.00 0.00 0.69 0.00 0.00 54.13 56.32 1xqi s LEU 49 Cb -0.05 2.30 0.00 0.00 -0.43 0.00 0.00 46.19 48.02 1xqi s LEU 49 CO 0.02 -0.22 0.00 2.29 -0.29 0.00 0.00 176.35 178.15 1xqi n LYS 50 N 4.93 0.00 0.00 1.98 2.85 -0.46 -5.00 118.16 122.46 1xqi n LYS 50 Ca -0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1xqi n LYS 50 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 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 -2.82 0.58 0.24 0.13 -0.90 118.33 115.57 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 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.69 3.18 0.26 7.34 2.47 -1.26 -1.04 119.74 130.00 1xqi s LYS 53 Ca 0.00 -0.60 -0.23 0.00 -1.56 0.00 0.00 55.97 53.58 1xqi s LYS 53 Cb 0.00 -4.17 -0.09 0.00 -1.46 0.00 0.00 37.83 32.11 1xqi s LYS 53 CO 0.00 -1.75 0.82 0.00 0.16 0.00 0.00 175.35 174.58 1xqi s ALA 54 N 4.20 3.34 0.43 3.13 0.00 -1.26 -5.06 121.76 126.54 1xqi s ALA 54 Ca 0.26 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1xqi s ALA 54 Cb -0.15 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1xqi s ALA 54 CO 0.13 0.26 0.87 -1.54 0.00 0.00 0.00 175.76 175.49 1xqi s SER 55 N -1.58 6.68 0.26 0.00 1.04 -1.26 -4.75 113.70 114.09 1xqi s SER 55 Ca 0.45 1.41 -0.10 0.00 0.48 0.00 0.00 55.95 58.19 1xqi s SER 55 Cb -0.18 -2.43 0.40 0.00 0.10 0.00 0.00 66.02 63.90 1xqi s SER 55 CO 0.23 -0.42 1.57 -0.65 0.98 0.00 0.00 173.24 174.95 1xqi h PRO 56 N 1.45 -0.00 -0.68 4.02 0.11 -1.94 -2.32 132.00 132.63 1xqi h PRO 56 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1xqi h PRO 56 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1xqi h PRO 56 CO 0.63 -0.00 0.37 1.05 -0.21 0.00 0.00 178.00 179.84 1xqi h GLU 57 N -0.00 0.94 -0.50 1.05 9.09 -1.98 -0.82 114.58 122.35 1xqi h GLU 57 Ca 0.43 -0.10 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 1xqi h GLU 57 Cb 0.67 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 1xqi h GLU 57 CO -0.96 0.70 0.31 0.93 0.05 0.00 0.00 179.01 180.03 1xqi h GLU 58 N 0.95 0.68 -0.25 1.06 5.08 -1.82 -0.21 114.58 120.07 1xqi h GLU 58 Ca 0.24 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1xqi h GLU 58 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1xqi h GLU 58 CO -0.04 0.49 -0.48 0.82 -1.00 0.00 0.00 179.01 178.80 1xqi h ILE 59 N 0.67 1.30 -0.72 3.13 1.08 -1.12 -0.29 117.51 121.56 1xqi h ILE 59 Ca 0.18 -1.68 0.12 0.00 -0.39 0.00 0.00 64.86 63.09 1xqi h ILE 59 Cb -0.02 1.62 -0.08 0.00 -3.07 0.00 0.00 36.82 35.27 1xqi h ILE 59 CO -0.03 0.54 0.31 -0.33 -0.69 0.00 0.00 178.15 177.94 1xqi h GLU 60 N 0.53 0.48 0.00 2.37 5.08 -0.75 -2.21 114.58 120.08 1xqi h GLU 60 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xqi h GLU 60 Cb 1.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xqi h GLU 60 CO 0.10 0.32 -0.41 0.00 -1.00 0.00 0.00 179.01 178.02 1xqi h ARG 61 N 0.49 0.00 -0.10 2.33 3.08 -0.81 -3.34 114.38 116.03 1xqi h ARG 61 Ca 0.38 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.19 1xqi h ARG 61 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1xqi h ARG 61 CO -0.35 0.00 -0.87 0.35 -1.07 0.00 0.00 179.97 178.03 1xqi h PHE 62 N 0.00 1.06 -3.83 3.04 3.04 -0.48 -3.44 116.94 116.34 1xqi h PHE 62 Ca 0.00 -0.51 -0.48 0.00 3.98 0.00 0.00 57.97 60.96 1xqi h PHE 62 Cb 0.99 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1xqi h PHE 62 CO 0.00 1.34 0.34 0.71 -2.02 0.00 0.00 178.31 178.68 1xqi s TYR 63 N -3.60 3.79 0.87 0.41 1.51 -0.89 -5.00 117.35 114.45 1xqi s TYR 63 Ca -0.10 1.81 -0.12 0.00 -1.01 0.00 0.00 57.07 57.66 1xqi s TYR 63 Cb 0.08 -2.93 0.11 0.00 -0.11 0.00 0.00 41.96 39.12 1xqi s TYR 63 CO 0.91 0.30 1.13 -2.30 -1.11 0.00 0.00 175.55 174.48 1xqi n PRO 64 N 0.87 -0.17 -0.06 -1.71 -0.02 -1.26 -4.90 135.00 127.74 1xqi n PRO 64 Ca 0.00 0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1xqi n PRO 64 Cb 0.49 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.68 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 -3.65 2.02 -4.76 2.55 7.64 -1.26 -4.90 113.62 111.26 1xqi n SER 65 Ca 0.12 -2.56 -0.38 0.00 1.01 0.00 0.00 58.87 57.06 1xqi n SER 65 Cb 0.51 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 1xqi n SER 65 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xqi s SER 66 N -2.00 5.64 0.32 6.43 1.04 -1.26 -4.89 113.70 118.98 1xqi s SER 66 Ca 0.18 2.63 -0.00 0.00 0.48 0.00 0.00 55.95 59.23 1xqi s SER 66 Cb 0.15 -2.63 0.53 0.00 0.10 0.00 0.00 66.02 64.17 1xqi s SER 66 CO 0.02 -1.31 1.98 -0.08 0.98 0.00 0.00 173.24 174.83 1xqi h GLU 67 N 1.76 0.98 0.23 4.02 4.81 -1.99 -1.81 114.58 122.59 1xqi h GLU 67 Ca -0.50 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1xqi h GLU 67 Cb 1.28 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1xqi h GLU 67 CO 0.59 0.65 -0.29 1.49 -0.73 0.00 0.00 179.01 180.72 1xqi h GLU 68 N 1.01 -0.55 -0.57 1.92 4.81 -1.99 0.43 114.58 119.64 1xqi h GLU 68 Ca 0.29 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1xqi h GLU 68 Cb -0.08 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1xqi h GLU 68 CO -0.07 -0.37 0.37 2.35 -0.73 0.00 0.00 179.01 180.56 1xqi h TRP 69 N -0.58 0.70 0.11 0.92 7.01 -1.90 -2.19 115.95 120.03 1xqi h TRP 69 Ca 0.00 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1xqi h TRP 69 Cb 0.55 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1xqi h TRP 69 CO -0.21 0.43 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.75 1xqi h LEU 70 N 0.75 -0.13 -0.51 0.65 3.38 -1.01 -1.83 115.31 116.62 1xqi h LEU 70 Ca 0.21 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1xqi h LEU 70 Cb -0.07 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 1xqi h LEU 70 CO -0.05 -0.03 -0.32 -0.61 0.09 0.00 0.00 178.44 177.52 1xqi h GLN 71 N -0.21 -0.18 -0.25 1.13 4.15 -0.06 -0.68 115.11 119.02 1xqi h GLN 71 Ca -0.02 0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1xqi h GLN 71 Cb 0.17 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1xqi h GLN 71 CO 0.03 -0.12 -0.59 0.66 -1.93 0.00 0.00 178.83 176.87 1xqi h SER 72 N -0.19 0.91 -0.98 -0.69 4.64 -1.31 -1.16 113.55 114.77 1xqi h SER 72 Ca 0.21 -0.51 0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1xqi h SER 72 Cb 0.54 -0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 62.28 1xqi h SER 72 CO -0.61 1.30 0.61 0.00 -0.87 0.00 0.00 176.83 177.25 1xqi h ALA 73 N 0.71 1.50 -0.48 5.18 0.00 -1.07 -2.66 119.26 122.45 1xqi h ALA 73 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xqi h ALA 73 Cb 1.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xqi h ALA 73 CO 0.13 0.17 0.05 0.78 0.00 0.00 0.00 179.25 180.37 1xqi h GLY 74 N 0.93 0.87 0.99 0.00 0.00 -0.44 -3.07 103.07 102.36 1xqi h GLY 74 Ca 0.50 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1xqi h GLY 74 CO -0.28 0.56 0.33 1.46 0.00 0.00 0.00 176.54 178.61 1xqi h GLN 75 N 0.67 0.84 -0.40 4.80 4.20 -0.90 -1.69 115.11 122.63 1xqi h GLN 75 Ca 0.14 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1xqi h GLN 75 Cb 0.44 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1xqi h GLN 75 CO 0.02 0.65 0.21 -0.22 -0.67 0.00 0.00 178.83 178.81 1xqi h LYS 76 N 0.82 0.42 -0.63 1.46 3.64 -1.51 0.31 116.57 121.08 1xqi h LYS 76 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1xqi h LYS 76 Cb 0.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xqi h LYS 76 CO -0.03 0.28 0.21 1.25 -2.27 0.00 0.00 179.45 178.89 1xqi h LEU 77 N 0.43 0.88 -0.45 5.20 5.85 -1.47 -0.22 115.31 125.53 1xqi h LEU 77 Ca 0.17 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1xqi h LEU 77 Cb 0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1xqi h LEU 77 CO -0.10 0.81 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.62 1xqi h LEU 78 N 0.92 0.90 -0.29 2.25 3.38 -0.50 0.16 115.31 122.14 1xqi h LEU 78 Ca 0.21 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xqi h LEU 78 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xqi h LEU 78 CO -0.01 1.06 0.15 0.11 0.09 0.00 0.00 178.44 179.84 1xqi h LYS 79 N 0.73 0.40 0.04 1.13 1.57 -0.27 -1.88 116.57 118.29 1xqi h LYS 79 Ca 0.11 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xqi h LYS 79 Cb 0.68 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1xqi h LYS 79 CO 0.05 0.36 -0.41 0.00 -0.57 0.00 0.00 179.45 178.88 1xqi h ALA 80 N 1.02 -0.68 -1.00 3.86 0.00 -0.78 -2.28 119.26 119.39 1xqi h ALA 80 Ca 0.10 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1xqi h ALA 80 Cb 0.08 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1xqi h ALA 80 CO -0.01 -0.96 0.61 1.88 0.00 0.00 0.00 179.25 180.77 1xqi h TYR 81 N -0.59 0.99 0.06 0.00 0.99 -0.56 -2.24 116.97 115.62 1xqi h TYR 81 Ca 0.04 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1xqi h TYR 81 Cb 0.65 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1xqi h TYR 81 CO -0.39 0.19 -0.03 0.37 -0.00 0.00 0.00 178.16 178.30 1xqi h GLN 82 N 0.68 -0.07 0.00 4.88 4.15 -0.86 0.55 115.11 124.44 1xqi h GLN 82 Ca 0.58 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.00 1xqi h GLN 82 Cb 1.02 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1xqi h GLN 82 CO -0.37 0.21 -0.06 0.93 -1.93 0.00 0.00 178.83 177.61 1xqi h GLU 83 N -0.35 0.00 0.00 1.69 5.08 -1.24 -1.02 114.58 118.73 1xqi h GLU 83 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xqi h GLU 83 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1xqi h GLU 83 CO 0.01 0.06 -0.38 1.28 -1.00 0.00 0.00 179.01 178.98 1xqi n LEU 84 N -4.25 0.53 -1.26 1.33 7.99 -0.86 -4.97 117.00 115.51 1xqi n LEU 84 Ca -0.03 0.26 -0.14 0.00 -0.01 0.00 0.00 56.01 56.09 1xqi n LEU 84 Cb 0.14 -0.28 -0.04 0.00 -0.11 0.00 0.00 43.42 43.13 1xqi n LEU 84 CO 0.33 -0.01 -0.15 0.61 -1.51 0.00 0.00 177.39 176.66 1xqi n GLY 85 N 1.41 0.80 3.73 -0.72 0.00 0.12 -5.00 105.19 105.54 1xqi n GLY 85 Ca 0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.58 4.67 -0.43 -0.61 1.01 0.15 -4.99 121.20 118.41 1xqi s ILE 86 Ca 0.00 1.87 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 1xqi s ILE 86 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1xqi s ILE 86 CO 0.00 0.31 0.87 -0.62 0.00 0.00 0.00 174.94 175.50 1xqi s ASP 87 N 0.15 6.50 0.55 3.58 3.68 -1.26 -4.34 116.67 125.54 1xqi s ASP 87 Ca 0.44 0.15 0.23 0.00 2.13 0.00 0.00 52.55 55.50 1xqi s ASP 87 Cb -0.22 -2.43 1.53 0.00 -1.45 0.00 0.00 42.92 40.35 1xqi s ASP 87 CO 0.26 -0.94 2.17 1.55 0.13 0.00 0.00 175.17 178.34 1xqi h PRO 88 N 8.89 0.00 -0.41 4.34 0.13 -1.93 -0.04 132.00 142.97 1xqi h PRO 88 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1xqi h PRO 88 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1xqi h PRO 88 CO 0.99 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.53 1xqi h ARG 89 N 0.00 0.83 -0.05 0.86 3.08 -1.90 0.15 114.38 117.34 1xqi h ARG 89 Ca 0.03 -0.34 -0.23 0.00 0.07 0.00 0.00 59.98 59.51 1xqi h ARG 89 Cb 0.14 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xqi h ARG 89 CO -0.00 0.97 -0.88 0.00 -1.07 0.00 0.00 179.97 178.99 1xqi h ALA 90 N 1.03 0.35 -0.04 0.04 0.00 -1.64 -2.60 119.26 116.40 1xqi h ALA 90 Ca 0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1xqi h ALA 90 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xqi h ALA 90 CO 0.06 0.75 -0.21 -0.22 0.00 0.00 0.00 179.25 179.63 1xqi h LYS 91 N 0.35 0.22 0.00 0.00 1.63 -0.90 -3.41 116.57 114.46 1xqi h LYS 91 Ca -0.07 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1xqi h LYS 91 Cb 1.50 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1xqi h LYS 91 CO 0.16 0.83 0.00 0.44 -3.45 0.00 0.00 179.45 177.43 1xqi n ILE 92 N -4.55 0.18 0.00 2.00 -5.35 0.02 -5.04 119.36 106.62 1xqi n ILE 92 Ca -0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1xqi n ILE 92 Cb 0.44 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.09 1.98 3.15 3.28 0.00 -0.98 -5.00 105.19 107.54 1xqi n GLY 93 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.55 0.15 -0.06 2.61 -1.32 -1.25 -4.88 115.64 108.33 1xqi s THR 94 Ca 0.00 -1.28 0.09 0.00 -1.21 0.00 0.00 61.69 59.30 1xqi s THR 94 Cb 0.00 -1.23 0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1xqi s THR 94 CO 0.00 -0.70 1.07 -0.90 -2.21 0.00 0.00 174.62 171.87 1xqi n ASP 95 N 0.25 2.12 -4.65 8.08 3.85 -1.26 -3.97 116.55 120.97 1xqi n ASP 95 Ca -0.16 -2.53 -0.43 0.00 -0.71 0.00 0.00 54.79 50.96 1xqi n ASP 95 Cb 0.61 -0.22 -0.02 0.00 -1.35 0.00 0.00 41.12 40.14 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 -1.92 6.99 0.22 -1.12 3.68 -1.26 -4.96 116.67 118.29 1xqi s ASP 96 Ca 0.16 1.23 -0.17 0.00 2.13 0.00 0.00 52.55 55.90 1xqi s ASP 96 Cb 0.14 -2.54 0.23 0.00 -1.45 0.00 0.00 42.92 39.29 1xqi s ASP 96 CO 0.01 -0.80 1.57 -0.65 0.13 0.00 0.00 175.17 175.43 1xqi h PRO 97 N 7.91 -0.06 -0.59 4.34 0.11 -1.89 0.33 132.00 142.15 1xqi h PRO 97 Ca -0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1xqi h PRO 97 Cb 1.06 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1xqi h PRO 97 CO 1.01 -0.04 0.37 0.28 -0.21 0.00 0.00 178.00 179.41 1xqi h VAL 98 N -0.06 1.17 -0.41 3.15 2.07 -1.82 0.14 116.25 120.50 1xqi h VAL 98 Ca 0.32 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1xqi h VAL 98 Cb 0.59 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1xqi h VAL 98 CO -0.86 0.17 0.01 -0.33 0.02 0.00 0.00 177.57 176.57 1xqi h GLU 99 N 0.80 0.65 -0.26 1.57 5.08 -1.66 -1.00 114.58 119.76 1xqi h GLU 99 Ca 0.21 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1xqi h GLU 99 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xqi h GLU 99 CO -0.04 0.66 -0.10 0.28 -1.00 0.00 0.00 179.01 178.81 1xqi h VAL 100 N 0.62 1.29 -0.75 3.13 2.07 -0.63 -2.12 116.25 119.86 1xqi h VAL 100 Ca 0.13 -1.16 0.16 0.00 0.82 0.00 0.00 66.70 66.64 1xqi h VAL 100 Cb 0.38 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1xqi h VAL 100 CO 0.01 0.36 0.51 1.23 0.02 0.00 0.00 177.57 179.70 1xqi h GLY 101 N 0.25 0.64 1.79 2.17 0.00 -0.46 -0.03 103.07 107.43 1xqi h GLY 101 Ca 0.06 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1xqi h GLY 101 CO 0.03 0.05 -0.85 3.21 0.00 0.00 0.00 176.54 178.98 1xqi h ARG 102 N 0.37 0.19 -0.12 4.80 3.08 -0.88 -0.45 114.38 121.37 1xqi h ARG 102 Ca 0.37 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1xqi h ARG 102 Cb 0.92 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1xqi h ARG 102 CO -0.11 0.93 -0.08 0.82 -1.07 0.00 0.00 179.97 180.46 1xqi h ILE 103 N 0.11 1.34 -0.49 2.04 2.04 -0.65 -2.14 117.51 119.76 1xqi h ILE 103 Ca -0.04 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.71 1xqi h ILE 103 Cb 1.47 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 39.35 1xqi h ILE 103 CO 0.13 0.34 0.17 0.40 0.00 0.00 0.00 178.15 179.19 1xqi h ILE 104 N -0.10 0.83 -1.00 -0.67 2.04 -1.05 -1.82 117.51 115.74 1xqi h ILE 104 Ca 0.02 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1xqi h ILE 104 Cb 0.58 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1xqi h ILE 104 CO 0.02 0.06 0.65 0.50 0.00 0.00 0.00 178.15 179.38 1xqi h LYS 105 N 0.34 1.11 -0.27 2.37 3.64 -0.97 0.43 116.57 123.23 1xqi h LYS 105 Ca 0.23 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1xqi h LYS 105 Cb 0.25 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1xqi h LYS 105 CO -0.24 0.74 -0.12 0.00 -2.27 0.00 0.00 179.45 177.56 1xqi h ARG 106 N 1.15 0.45 -0.08 1.90 3.08 -0.89 0.16 114.38 120.16 1xqi h ARG 106 Ca 0.44 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 60.13 1xqi h ARG 106 Cb 0.21 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.23 1xqi h ARG 106 CO -0.18 0.57 -0.89 -0.91 -1.07 0.00 0.00 179.97 177.48 1xqi h ASN 107 N 0.42 0.92 -0.49 7.04 2.35 -0.44 -1.84 115.58 123.54 1xqi h ASN 107 Ca 0.08 -0.68 0.07 0.00 -0.55 0.00 0.00 56.30 55.22 1xqi h ASN 107 Cb 0.46 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1xqi h ASN 107 CO 0.03 1.47 0.15 0.25 -1.65 0.00 0.00 177.43 177.67 1xqi h LEU 108 N 0.45 0.11 -0.17 1.61 5.85 0.11 -2.34 115.31 120.93 1xqi h LEU 108 Ca -0.09 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xqi h LEU 108 Cb 1.54 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1xqi h LEU 108 CO 0.18 0.09 0.10 0.58 -0.34 0.00 0.00 178.44 179.05 1xqi h VAL 109 N 0.30 1.09 -0.51 1.05 2.07 -0.84 -3.07 116.25 116.34 1xqi h VAL 109 Ca 0.24 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1xqi h VAL 109 Cb 0.28 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1xqi h VAL 109 CO -0.27 0.09 0.31 0.11 0.02 0.00 0.00 177.57 177.83 1xqi h LYS 110 N 0.18 0.60 -1.35 1.57 1.57 -1.05 -2.11 116.57 115.99 1xqi h LYS 110 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xqi h LYS 110 Cb 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1xqi h LYS 110 CO -0.01 0.40 0.00 0.98 -0.57 0.00 0.00 179.45 180.25 1xqi n TYR 111 N -4.79 0.00 0.00 -1.35 9.36 -0.91 -2.00 117.16 117.47 1xqi n TYR 111 Ca 0.03 -0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.16 1xqi n TYR 111 Cb 0.07 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 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 0.74 0.00 1.36 2.97 5.66 -0.79 -4.50 114.28 119.72 1xqi n THR 113 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 1xqi n THR 113 Cb 0.11 0.00 0.72 0.00 -1.55 0.00 0.00 70.33 69.60 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 0.07 -3.17 1.09 3.41 -0.85 -4.90 113.62 109.27 1xqi n SER 114 Ca 0.00 -0.12 0.03 0.00 -0.26 0.00 0.00 58.87 58.52 1xqi n SER 114 Cb 0.00 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.32 0.26 3.76 5.00 0.00 -1.26 -5.07 105.19 109.20 1xqi n GLY 115 Ca 0.13 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.01 4.11 0.39 1.61 0.02 -1.26 -4.68 135.00 133.18 1xqi s PRO 116 Ca 0.23 2.59 0.08 0.00 0.02 0.00 0.00 61.00 63.91 1xqi s PRO 116 Cb -0.00 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 1xqi s PRO 116 CO -0.01 -0.60 0.47 -0.80 -0.33 0.00 0.00 177.00 175.73 1xqi s ASN 117 N 0.24 5.54 -0.07 2.53 -0.87 -0.20 -3.94 114.94 118.17 1xqi s ASN 117 Ca 0.59 -0.45 -0.00 0.00 -1.57 0.00 0.00 52.86 51.43 1xqi s ASN 117 Cb -0.47 -0.81 0.02 0.00 -0.02 0.00 0.00 41.25 39.97 1xqi s ASN 117 CO 0.54 -0.61 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.74 1xqi s VAL 118 N -2.33 0.61 0.40 1.60 1.01 -0.80 -0.69 120.40 120.20 1xqi s VAL 118 Ca 0.49 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1xqi s VAL 118 Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1xqi s VAL 118 CO 0.31 0.28 0.32 -0.69 0.00 0.00 0.00 175.10 175.31 1xqi s VAL 119 N 1.52 2.76 -0.09 2.92 1.01 -0.07 0.11 120.40 128.56 1xqi s VAL 119 Ca -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1xqi s VAL 119 Cb -0.13 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1xqi s VAL 119 CO -0.04 -0.04 0.20 -0.69 0.00 0.00 0.00 175.10 174.53 1xqi s VAL 121 N -2.46 -0.04 -0.11 2.92 1.01 -0.24 -1.35 120.40 120.13 1xqi s VAL 121 Ca 0.45 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1xqi s VAL 121 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1xqi s VAL 121 CO 0.26 0.06 -0.20 -0.76 0.00 0.00 0.00 175.10 174.46 1xqi s LEU 122 N 1.11 2.31 -0.12 3.92 1.43 -0.35 -1.35 118.68 125.63 1xqi s LEU 122 Ca -0.08 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1xqi s LEU 122 Cb -0.10 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1xqi s LEU 122 CO -0.07 0.17 -0.15 -0.75 0.23 0.00 0.00 176.35 175.78 1xqi s LYS 123 N 0.31 3.24 0.00 1.70 2.20 -0.57 0.22 119.74 126.84 1xqi s LYS 123 Ca -0.15 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1xqi s LYS 123 Cb -0.17 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1xqi s LYS 123 CO 0.08 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1xqi n GLY 124 N 3.40 0.94 3.68 5.54 0.00 -0.75 -1.61 105.19 116.38 1xqi n GLY 124 Ca -0.18 -0.90 -0.61 0.00 0.00 0.00 0.00 46.02 44.33 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 1.85 -3.87 1.61 5.15 -1.26 -1.98 115.26 116.76 1xqi n ASN 125 Ca 0.00 1.06 -0.29 0.00 -0.60 0.00 0.00 54.58 54.75 1xqi n ASN 125 Cb 0.00 -1.04 0.03 0.00 -0.53 0.00 0.00 39.78 38.25 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 5.17 -5.80 -0.30 1.20 1.74 -1.26 -4.86 116.66 112.55 1xqi n ARG 126 Ca 0.31 0.63 0.19 0.00 -0.77 0.00 0.00 57.85 58.20 1xqi n ARG 126 Cb 0.05 -5.52 0.46 0.00 -1.02 0.00 0.00 32.46 26.43 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 0.97 2.07 0.06 7.54 0.00 -1.65 -1.51 119.26 126.74 1xqi h ALA 127 Ca -0.58 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xqi h ALA 127 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xqi h ALA 127 CO 0.65 -0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 1xqi h VAL 128 N 0.50 1.23 -0.44 0.00 2.07 -1.88 -1.53 116.25 116.20 1xqi h VAL 128 Ca 0.55 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1xqi h VAL 128 Cb 1.22 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1xqi h VAL 128 CO -0.28 0.26 0.17 -0.33 0.02 0.00 0.00 177.57 177.42 1xqi h GLU 129 N -0.58 0.67 0.20 1.57 5.08 -1.83 -0.89 114.58 118.81 1xqi h GLU 129 Ca -0.01 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1xqi h GLU 129 Cb 0.50 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1xqi h GLU 129 CO 0.01 0.62 -0.50 0.82 -1.00 0.00 0.00 179.01 178.95 1xqi h ILE 130 N 0.57 0.03 -0.56 3.13 1.08 -1.22 0.97 117.51 121.52 1xqi h ILE 130 Ca 0.15 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 1xqi h ILE 130 Cb 0.20 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 33.93 1xqi h ILE 130 CO -0.01 0.00 0.23 0.58 -0.69 0.00 0.00 178.15 178.26 1xqi h VAL 131 N -0.79 0.85 -0.89 1.67 2.07 -1.34 0.36 116.25 118.19 1xqi h VAL 131 Ca -0.01 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1xqi h VAL 131 Cb 0.77 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1xqi h VAL 131 CO -0.24 0.08 0.56 0.03 0.02 0.00 0.00 177.57 178.02 1xqi h ARG 132 N 0.44 0.99 -0.03 1.57 3.08 -0.67 -1.89 114.38 117.87 1xqi h ARG 132 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1xqi h ARG 132 Cb 0.26 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xqi h ARG 132 CO -0.24 0.65 0.01 -0.22 -1.07 0.00 0.00 179.97 179.11 1xqi h LYS 133 N 1.02 0.04 -0.12 0.04 3.64 0.23 -2.79 116.57 118.64 1xqi h LYS 133 Ca 0.38 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1xqi h LYS 133 Cb 0.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xqi h LYS 133 CO -0.17 0.22 0.01 -0.07 -2.27 0.00 0.00 179.45 177.17 1xqi h LEU 134 N -0.14 0.14 0.15 5.20 4.07 -0.21 -3.14 115.31 121.38 1xqi h LEU 134 Ca 0.01 -0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1xqi h LEU 134 Cb 0.19 -0.04 0.03 0.00 1.08 0.00 0.00 40.66 41.93 1xqi h LEU 134 CO -0.00 0.17 -1.10 0.58 -1.08 0.00 0.00 178.44 177.01 1xqi h VAL 135 N 0.16 1.37 0.00 1.22 2.07 -1.28 0.23 116.25 120.02 1xqi h VAL 135 Ca 0.04 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1xqi h VAL 135 Cb 0.10 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1xqi h VAL 135 CO 0.00 0.74 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1xqi n GLY 136 N 1.53 0.40 3.58 2.17 0.00 -1.06 -0.33 105.19 111.48 1xqi n GLY 136 Ca -0.14 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.79 -0.10 0.25 1.61 0.04 -1.26 -4.90 135.00 128.84 1xqi s PRO 137 Ca 0.00 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 61.94 1xqi s PRO 137 Cb 0.00 -1.64 0.49 0.00 0.04 0.00 0.00 34.50 33.39 1xqi s PRO 137 CO 0.00 -3.20 1.73 0.00 0.04 0.00 0.00 177.00 175.57 1xqi h THR 138 N -2.25 0.66 -3.57 1.26 1.03 -1.98 -3.39 112.91 104.68 1xqi h THR 138 Ca -0.56 -0.16 -0.62 0.00 -0.01 0.00 0.00 66.41 65.06 1xqi h THR 138 Cb 1.31 0.14 -0.13 0.00 -1.07 0.00 0.00 68.15 68.41 1xqi h THR 138 CO 0.50 0.09 0.02 -0.44 -0.01 0.00 0.00 175.52 175.68 1xqi s SER 139 N -5.35 6.46 0.49 0.00 0.01 -1.26 -4.83 113.70 109.22 1xqi s SER 139 Ca -0.12 0.53 0.14 0.00 1.31 0.00 0.00 55.95 57.81 1xqi s SER 139 Cb 0.21 -2.29 1.16 0.00 0.21 0.00 0.00 66.02 65.31 1xqi s SER 139 CO 0.77 -0.32 2.12 -0.65 0.41 0.00 0.00 173.24 175.57 1xqi h PRO 140 N 8.02 0.14 0.00 12.44 0.11 -1.75 -1.77 132.00 149.19 1xqi h PRO 140 Ca -0.28 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1xqi h PRO 140 Cb 1.14 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xqi h PRO 140 CO 0.73 0.09 -0.20 1.12 -0.21 0.00 0.00 178.00 179.53 1xqi h HIS 141 N 0.15 0.00 -0.25 0.65 2.07 -1.48 -2.44 115.15 113.84 1xqi h HIS 141 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1xqi h HIS 141 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1xqi h HIS 141 CO -0.00 0.20 0.00 -1.13 -3.07 0.00 0.00 177.93 173.93 1xqi n SER 142 N -3.77 2.97 -4.71 3.10 3.41 -1.01 -4.97 113.62 108.64 1xqi n SER 142 Ca -0.02 -2.30 -0.42 0.00 -0.26 0.00 0.00 58.87 55.87 1xqi n SER 142 Cb 0.31 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.54 3.30 0.65 7.33 0.00 -0.70 -4.92 121.76 125.87 1xqi s ALA 143 Ca 0.24 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 1xqi s ALA 143 Cb 0.16 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1xqi s ALA 143 CO 0.11 -0.32 1.16 -2.14 0.00 0.00 0.00 175.76 174.57 1xqi s PRO 144 N 0.88 2.73 0.33 0.00 0.02 -1.26 -4.24 135.00 133.46 1xqi s PRO 144 Ca 0.55 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.91 1xqi s PRO 144 Cb -0.26 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 1xqi s PRO 144 CO 0.29 -1.35 1.47 -2.30 -0.33 0.00 0.00 177.00 174.79 1xqi n PRO 145 N -2.15 2.51 0.00 5.54 -0.02 -1.26 -2.50 135.00 137.12 1xqi n PRO 145 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1xqi n PRO 145 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.25 2.25 3.86 -1.23 0.00 -1.26 -5.01 105.19 105.05 1xqi n GLY 146 Ca 0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.20 4.65 0.18 2.61 -4.23 -1.04 -4.93 115.64 111.67 1xqi s THR 147 Ca 0.00 0.95 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 1xqi s THR 147 Cb 0.00 -3.77 0.08 0.00 1.34 0.00 0.00 72.50 70.15 1xqi s THR 147 CO 0.00 -0.77 1.82 0.40 -0.54 0.00 0.00 174.62 175.53 1xqi h ILE 148 N 0.63 1.07 -0.01 2.99 2.04 -0.30 -1.81 117.51 122.13 1xqi h ILE 148 Ca -0.46 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.03 1xqi h ILE 148 Cb 1.19 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1xqi h ILE 148 CO 0.62 0.12 -0.65 0.03 0.00 0.00 0.00 178.15 178.27 1xqi h ARG 149 N 0.66 0.03 0.01 2.37 3.08 -0.95 -2.14 114.38 117.44 1xqi h ARG 149 Ca 0.21 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 60.04 1xqi h ARG 149 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1xqi h ARG 149 CO -0.09 0.67 -0.93 0.78 -1.07 0.00 0.00 179.97 179.33 1xqi h GLY 150 N 1.88 0.10 1.74 0.04 0.00 -1.68 -3.05 103.07 102.11 1xqi h GLY 150 Ca -0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1xqi h GLY 150 CO 0.09 0.17 -0.83 -0.55 0.00 0.00 0.00 176.54 175.41 1xqi h ASP 151 N 0.04 0.00 -0.11 0.19 3.45 -1.20 -3.40 116.42 115.39 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 1.60 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.37 1xqi h ASP 151 CO 0.13 0.63 0.00 -1.22 -1.57 0.00 0.00 179.24 177.21 1xqi n TYR 152 N -3.17 0.15 -3.58 4.55 4.02 -0.82 -5.03 117.16 113.28 1xqi n TYR 152 Ca -0.02 -0.41 -0.17 0.00 -0.01 0.00 0.00 57.90 57.29 1xqi n TYR 152 Cb 0.81 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 40.03 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 -0.89 -0.55 -0.07 7.72 0.15 -1.15 -5.02 113.70 113.88 1xqi s SER 153 Ca 0.08 0.60 0.11 0.00 0.70 0.00 0.00 55.95 57.44 1xqi s SER 153 Cb 0.05 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 65.04 1xqi s SER 153 CO 0.06 -0.56 1.06 2.30 1.20 0.00 0.00 173.24 177.30 1xqi n ILE 154 N 1.06 1.19 -1.93 6.45 -5.35 -1.26 -4.55 119.36 114.97 1xqi n ILE 154 Ca -0.19 -1.40 -0.33 0.00 -0.27 0.00 0.00 62.75 60.55 1xqi n ILE 154 Cb 0.57 0.11 0.03 0.00 -1.74 0.00 0.00 39.64 38.60 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 -2.01 5.46 0.05 7.28 2.15 -1.26 -4.66 116.67 123.68 1xqi s ASP 155 Ca 0.18 1.94 -0.09 0.00 0.43 0.00 0.00 52.55 55.00 1xqi s ASP 155 Cb 0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1xqi s ASP 155 CO 0.02 -1.39 0.19 -0.94 -0.17 0.00 0.00 175.17 172.88 1xqi s SER 156 N -2.60 0.06 0.52 -0.34 1.04 -1.26 -1.43 113.70 109.69 1xqi s SER 156 Ca 0.66 -0.44 0.26 0.00 0.48 0.00 0.00 55.95 56.92 1xqi s SER 156 Cb -0.19 0.30 1.42 0.00 0.10 0.00 0.00 66.02 67.65 1xqi s SER 156 CO 0.38 -0.59 2.07 -0.65 0.98 0.00 0.00 173.24 175.43 1xqi h PRO 157 N 3.30 0.00 0.04 4.02 0.11 -1.98 -2.07 132.00 135.42 1xqi h PRO 157 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.50 0.12 -0.02 0.38 -0.21 0.00 0.00 178.00 178.77 1xqi h ASP 158 N 0.00 -0.05 0.26 -2.05 2.03 -1.97 -1.32 116.42 113.32 1xqi h ASP 158 Ca -0.00 -0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1xqi h ASP 158 Cb 0.32 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 1xqi h ASP 158 CO 0.02 0.18 -0.21 0.25 -1.03 0.00 0.00 179.24 178.45 1xqi h LEU 159 N -0.28 -0.54 -0.60 0.15 6.46 -1.94 0.34 115.31 118.90 1xqi h LEU 159 Ca -0.01 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.92 1xqi h LEU 159 Cb 0.26 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 1xqi h LEU 159 CO 0.01 -0.32 0.06 0.00 -0.62 0.00 0.00 178.44 177.58 1xqi h ALA 160 N 0.21 0.66 0.78 1.25 0.00 -1.37 0.10 119.26 120.90 1xqi h ALA 160 Ca -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xqi h ALA 160 Cb 0.42 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xqi h ALA 160 CO -0.01 -0.36 -0.37 0.00 0.00 0.00 0.00 179.25 178.51 1xqi h ALA 161 N 1.52 -1.05 -1.08 0.00 0.00 -0.78 -1.81 119.26 116.06 1xqi h ALA 161 Ca 0.32 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.36 1xqi h ALA 161 Cb 0.50 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 1xqi h ALA 161 CO -0.46 -1.08 0.64 1.49 0.00 0.00 0.00 179.25 179.84 1xqi h GLU 162 N -1.06 0.22 -0.66 0.00 4.57 0.32 -0.86 114.58 117.10 1xqi h GLU 162 Ca -0.11 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1xqi h GLU 162 Cb 0.81 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1xqi h GLU 162 CO 0.18 0.14 0.00 0.39 -1.18 0.00 0.00 179.01 178.54 1xqi n GLU 163 N -4.96 3.59 -3.66 1.92 1.02 -0.03 -4.97 120.64 113.54 1xqi n GLU 163 Ca 0.33 -2.77 -0.30 0.00 -0.02 0.00 0.00 57.16 54.40 1xqi n GLU 163 Cb 1.13 -1.86 0.04 0.00 -0.02 0.00 0.00 31.44 30.73 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 1.18 -1.02 3.78 0.62 0.00 -0.33 -5.00 105.19 104.43 1xqi n GLY 164 Ca 0.25 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 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 -5.85 1.47 0.70 1.61 1.70 -0.99 -5.06 118.95 112.53 1xqi s ARG 165 Ca 0.45 -0.80 -0.09 0.00 -0.47 0.00 0.00 55.73 54.82 1xqi s ARG 165 Cb -0.16 0.51 0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1xqi s ARG 165 CO 0.86 -0.67 1.05 0.14 -1.08 0.00 0.00 175.30 175.59 1xqi s VAL 166 N -3.61 2.98 0.27 4.99 -7.23 -1.26 -4.20 120.40 112.34 1xqi s VAL 166 Ca 0.11 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 1xqi s VAL 166 Cb -0.04 -3.28 -0.10 0.00 0.56 0.00 0.00 36.38 33.53 1xqi s VAL 166 CO 0.03 -0.33 1.38 -0.69 -0.31 0.00 0.00 175.10 175.19 1xqi s VAL 167 N -3.29 2.73 -1.25 1.32 1.01 -1.26 -4.84 120.40 114.82 1xqi s VAL 167 Ca 0.58 0.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 1xqi s VAL 167 Cb -0.11 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 33.00 1xqi s VAL 167 CO 0.48 0.12 1.61 0.49 0.00 0.00 0.00 175.10 177.80 1xqi n PHE 168 N 1.84 4.51 -1.17 5.22 0.99 -1.26 -4.80 117.46 122.79 1xqi n PHE 168 Ca 0.04 -3.14 -0.11 0.00 -0.00 0.00 0.00 57.45 54.24 1xqi n PHE 168 Cb 0.41 -2.27 0.24 0.00 -1.00 0.00 0.00 39.48 36.87 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 5.96 4.02 0.00 4.37 2.04 -1.26 -4.79 115.26 125.61 1xqi n ASN 169 Ca 0.41 -3.44 0.00 0.00 -0.44 0.00 0.00 54.58 51.11 1xqi n ASN 169 Cb 0.42 -0.75 0.00 0.00 -2.53 0.00 0.00 39.78 36.92 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 -0.68 0.00 -3.99 -4.53 4.77 -1.26 -4.82 117.00 106.49 1xqi n LEU 170 Ca 0.45 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1xqi n LEU 170 Cb 1.40 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.41 1xqi n LEU 170 CO 0.44 0.00 -0.23 0.68 -1.33 0.00 0.00 177.39 176.95 1xqi s VAL 171 N 0.00 0.17 -0.09 4.08 -7.23 -1.26 -0.90 120.40 115.17 1xqi s VAL 171 Ca 0.00 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1xqi s VAL 171 Cb 0.00 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1xqi s VAL 171 CO 0.00 -0.79 -0.23 -2.28 -0.31 0.00 0.00 175.10 171.49 1xqi s HIS 172 N -3.90 2.42 -0.01 2.82 2.46 -0.86 -4.97 115.29 113.24 1xqi s HIS 172 Ca 0.07 -0.98 0.07 0.00 0.47 0.00 0.00 55.06 54.70 1xqi s HIS 172 Cb 0.06 -1.63 -0.02 0.00 -0.13 0.00 0.00 32.58 30.87 1xqi s HIS 172 CO -0.09 -0.40 -0.23 0.00 -2.47 0.00 0.00 174.74 171.55 1xqi s ALA 173 N 0.37 1.95 0.38 1.58 0.00 -1.26 -1.08 121.76 123.69 1xqi s ALA 173 Ca -0.18 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 1xqi s ALA 173 Cb -0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 1xqi s ALA 173 CO 0.08 0.47 1.43 0.43 0.00 0.00 0.00 175.76 178.17 1xqi n SER 174 N 2.42 3.47 -0.98 0.00 7.64 -0.83 -4.88 113.62 120.46 1xqi n SER 174 Ca -0.16 1.21 0.10 0.00 1.01 0.00 0.00 58.87 61.03 1xqi n SER 174 Cb 0.52 -1.58 0.18 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.47 3.17 -3.57 6.43 3.85 -1.26 -4.82 116.55 120.82 1xqi n ASP 175 Ca 0.03 -1.92 -0.09 0.00 -0.71 0.00 0.00 54.79 52.10 1xqi n ASP 175 Cb 0.38 -0.20 -0.04 0.00 -1.35 0.00 0.00 41.12 39.91 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 -1.36 -0.32 0.28 -1.12 1.04 -1.26 -5.01 113.70 105.95 1xqi s SER 176 Ca 0.33 0.25 0.01 0.00 0.48 0.00 0.00 55.95 57.02 1xqi s SER 176 Cb 0.19 0.28 0.56 0.00 0.10 0.00 0.00 66.02 67.16 1xqi s SER 176 CO 0.27 -0.37 1.81 1.55 0.98 0.00 0.00 173.24 177.48 1xqi h PRO 177 N 2.35 0.84 0.11 4.02 0.13 -1.92 0.16 132.00 137.69 1xqi h PRO 177 Ca -0.17 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1xqi h PRO 177 Cb 1.18 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 1xqi h PRO 177 CO 0.30 0.56 -0.28 1.03 -0.23 0.00 0.00 178.00 179.37 1xqi h SER 178 N 0.87 -0.81 -0.31 1.44 0.87 -1.98 0.57 113.55 114.20 1xqi h SER 178 Ca 0.49 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.12 1xqi h SER 178 Cb 0.57 0.31 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1xqi h SER 178 CO -0.30 -0.37 0.13 -0.08 -0.53 0.00 0.00 176.83 175.68 1xqi h GLU 179 N -0.50 0.53 -0.18 2.24 4.57 -1.80 -2.91 114.58 116.53 1xqi h GLU 179 Ca 0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1xqi h GLU 179 Cb 0.53 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1xqi h GLU 179 CO -0.17 0.46 0.05 0.00 -1.18 0.00 0.00 179.01 178.17 1xqi h ALA 180 N 1.62 0.24 -0.26 2.92 0.00 0.41 0.50 119.26 124.68 1xqi h ALA 180 Ca 0.13 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xqi h ALA 180 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xqi h ALA 180 CO -0.01 -0.12 0.19 1.05 0.00 0.00 0.00 179.25 180.36 1xqi h GLU 181 N 0.11 0.03 0.01 0.00 4.11 -0.80 0.11 114.58 118.15 1xqi h GLU 181 Ca 0.06 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.44 1xqi h GLU 181 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xqi h GLU 181 CO 0.00 0.02 -0.21 -0.09 0.07 0.00 0.00 179.01 178.80 1xqi h ARG 182 N 0.03 0.11 -0.18 1.06 2.43 -1.27 -2.60 114.38 113.97 1xqi h ARG 182 Ca 0.12 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1xqi h ARG 182 Cb 0.47 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1xqi h ARG 182 CO -0.00 0.95 -0.21 0.93 -1.51 0.00 0.00 179.97 180.13 1xqi h GLU 183 N -0.65 0.31 0.45 0.20 5.08 -0.66 -1.24 114.58 118.06 1xqi h GLU 183 Ca -0.03 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1xqi h GLU 183 Cb 1.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xqi h GLU 183 CO 0.04 0.51 -0.21 0.82 -1.00 0.00 0.00 179.01 179.17 1xqi h ILE 184 N 0.28 0.56 -0.76 3.13 2.04 -0.87 -2.97 117.51 118.92 1xqi h ILE 184 Ca 0.05 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1xqi h ILE 184 Cb 0.53 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1xqi h ILE 184 CO 0.04 0.03 0.43 -0.09 0.00 0.00 0.00 178.15 178.55 1xqi h ARG 185 N -0.69 0.72 -0.70 2.37 2.43 -1.33 -1.73 114.38 115.46 1xqi h ARG 185 Ca -0.06 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1xqi h ARG 185 Cb 0.51 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 1xqi h ARG 185 CO 0.10 0.48 0.20 0.35 -1.51 0.00 0.00 179.97 179.59 1xqi h PHE 186 N 0.75 0.33 0.00 2.20 3.57 -1.16 -3.08 116.94 119.54 1xqi h PHE 186 Ca 0.36 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 1xqi h PHE 186 Cb 0.29 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1xqi h PHE 186 CO -0.07 -0.02 -1.56 0.91 -2.23 0.00 0.00 178.31 175.34 1xqi n TRP 187 N -5.10 0.52 -4.54 0.41 7.02 -1.10 -4.97 117.44 109.68 1xqi n TRP 187 Ca 0.13 0.16 -0.23 0.00 -1.02 0.00 0.00 57.50 56.53 1xqi n TRP 187 Cb 0.40 -0.80 -0.16 0.00 -2.42 0.00 0.00 31.31 28.33 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 -3.30 1.31 0.81 -5.99 0.40 -0.67 -5.13 117.98 105.42 1xqi s PHE 188 Ca -0.05 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.74 1xqi s PHE 188 Cb 0.11 -0.96 0.08 0.00 0.51 0.00 0.00 43.02 42.76 1xqi s PHE 188 CO 0.84 -0.22 1.10 1.03 0.70 0.00 0.00 175.22 178.67 1xqi s ARG 189 N 0.52 1.97 0.30 0.44 3.00 -1.26 -4.51 118.95 119.41 1xqi s ARG 189 Ca -0.11 1.20 0.05 0.00 0.00 0.00 0.00 55.73 56.87 1xqi s ARG 189 Cb -0.14 -1.86 0.80 0.00 0.00 0.00 0.00 34.95 33.75 1xqi s ARG 189 CO 0.03 -1.86 1.66 0.93 0.00 0.00 0.00 175.30 176.06 1xqi h GLU 190 N -1.29 0.26 0.00 3.54 4.39 -1.94 -1.92 114.58 117.62 1xqi h GLU 190 Ca -0.44 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1xqi h GLU 190 Cb 1.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1xqi h GLU 190 CO 0.50 0.17 -0.07 0.93 -1.16 0.00 0.00 179.01 179.38 1xqi h GLU 191 N 0.27 0.00 0.00 2.33 3.07 -2.04 -2.69 114.58 115.52 1xqi h GLU 191 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1xqi h GLU 191 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1xqi h GLU 191 CO -0.62 0.07 -0.86 0.93 -1.40 0.00 0.00 179.01 177.13 1xqi h GLU 192 N 0.00 0.00 -4.34 2.33 5.08 -1.71 -3.41 114.58 112.53 1xqi h GLU 192 Ca -0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 1xqi h GLU 192 Cb 0.47 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.50 1xqi h GLU 192 CO 0.01 0.00 0.25 0.08 -1.00 0.00 0.00 179.01 178.35 1xqi s VAL 193 N -3.33 5.18 -0.25 3.13 1.01 -1.02 -4.50 120.40 120.62 1xqi s VAL 193 Ca 0.01 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 59.97 1xqi s VAL 193 Cb 0.09 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1xqi s VAL 193 CO 0.77 -1.15 0.59 -1.48 0.00 0.00 0.00 175.10 173.83 1xqi s LEU 194 N 1.49 4.07 0.00 3.92 0.05 -0.88 -4.98 118.68 122.35 1xqi s LEU 194 Ca 0.19 0.67 0.22 0.00 0.05 0.00 0.00 54.13 55.26 1xqi s LEU 194 Cb -0.14 -2.80 0.18 0.00 -2.05 0.00 0.00 46.19 41.38 1xqi s LEU 194 CO -0.04 -0.33 1.21 -0.62 -0.55 0.00 0.00 176.35 176.02