#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2auw s PHE 5 N 0.00 -0.40 -0.13 -3.48 5.36 -1.26 -4.52 117.98 113.55 2auw s PHE 5 Ca 0.00 0.91 -0.22 0.00 -0.96 0.00 0.00 56.93 56.66 2auw s PHE 5 Cb 0.00 0.02 -0.20 0.00 -0.34 0.00 0.00 43.02 42.50 2auw s PHE 5 CO 0.00 -0.30 0.57 0.35 -1.46 0.00 0.00 175.22 174.38 2auw h PHE 6 N 7.74 0.00 -3.94 10.12 3.57 -1.02 -3.47 116.94 129.94 2auw h PHE 6 Ca -0.27 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.68 2auw h PHE 6 Cb 1.14 0.00 0.13 0.00 2.79 0.00 0.00 35.95 40.01 2auw h PHE 6 CO 0.36 0.79 0.64 -2.30 -2.23 0.00 0.00 178.31 175.57 2auw n PRO 7 N -4.64 2.01 -4.19 6.41 -0.02 -1.26 -5.01 135.00 128.30 2auw n PRO 7 Ca -0.09 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2auw n PRO 7 Cb 0.38 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 2auw n PRO 7 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2auw s LYS 8 N -2.59 3.50 -0.08 -0.52 1.02 -1.26 -4.96 119.74 114.85 2auw s LYS 8 Ca 0.65 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 2auw s LYS 8 Cb -0.44 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 2auw s LYS 8 CO 0.54 0.48 1.22 -1.17 -0.92 0.00 0.00 175.35 175.51 2auw s LEU 9 N -0.25 4.26 -0.02 3.17 2.96 -1.26 -0.29 118.68 127.24 2auw s LEU 9 Ca 0.07 1.80 0.09 0.00 -0.22 0.00 0.00 54.13 55.87 2auw s LEU 9 Cb -0.12 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 2auw s LEU 9 CO 0.02 -0.63 0.20 0.35 -1.32 0.00 0.00 176.35 174.96 2auw n THR 10 N 4.80 0.04 -3.73 3.68 -2.24 0.98 -4.91 114.28 112.90 2auw n THR 10 Ca 0.12 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 2auw n THR 10 Cb 0.46 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 2auw n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2auw s ALA 11 N -2.63 -0.96 -0.02 6.98 0.00 -0.95 -4.97 121.76 119.21 2auw s ALA 11 Ca -0.03 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2auw s ALA 11 Cb 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2auw s ALA 11 CO 0.39 -0.23 -0.04 0.54 0.00 0.00 0.00 175.76 176.42 2auw s VAL 12 N -0.50 0.38 0.09 0.00 0.11 -1.26 -0.65 120.40 118.58 2auw s VAL 12 Ca -0.06 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.93 2auw s VAL 12 Cb -0.04 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2auw s VAL 12 CO 0.03 0.15 -0.17 -1.83 -3.33 0.00 0.00 175.10 169.94 2auw s GLU 13 N 0.42 0.96 -0.09 1.54 -1.05 -0.12 -4.74 118.70 115.63 2auw s GLU 13 Ca -0.05 -1.06 -0.24 0.00 -0.15 0.00 0.00 54.97 53.48 2auw s GLU 13 Cb -0.08 -1.09 -0.03 0.00 -0.44 0.00 0.00 34.13 32.49 2auw s GLU 13 CO -0.00 0.25 0.73 0.00 0.95 0.00 0.00 175.26 177.19 2auw s ALA 14 N -1.24 3.37 0.26 -0.84 0.00 -1.26 -0.56 121.76 121.50 2auw s ALA 14 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2auw s ALA 14 Cb -0.10 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2auw s ALA 14 CO 0.03 -0.25 0.00 1.28 0.00 0.00 0.00 175.76 176.83 2auw n LEU 15 N 4.15 0.00 -4.73 0.00 4.77 -0.04 -4.93 117.00 116.23 2auw n LEU 15 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2auw n LEU 15 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2auw n LEU 15 CO 0.47 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.55 2auw s ALA 16 N -3.20 3.55 0.07 -1.18 0.00 -1.26 -4.69 121.76 115.04 2auw s ALA 16 Ca 0.00 1.11 -0.37 0.00 0.00 0.00 0.00 51.96 52.70 2auw s ALA 16 Cb 0.00 -3.51 -0.18 0.00 0.00 0.00 0.00 23.12 19.44 2auw s ALA 16 CO 0.00 -0.57 1.17 -2.30 0.00 0.00 0.00 175.76 174.06 2auw n PRO 17 N 3.20 0.63 -2.99 0.00 -0.02 -1.26 -1.34 135.00 133.21 2auw n PRO 17 Ca 0.08 0.23 -0.26 0.00 -2.02 0.00 0.00 63.50 61.53 2auw n PRO 17 Cb 0.43 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 2auw n PRO 17 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2auw n TYR 18 N 1.88 3.69 -4.23 6.00 4.01 -1.26 -5.08 117.16 122.17 2auw n TYR 18 Ca 0.19 -3.99 -0.35 0.00 -0.16 0.00 0.00 57.90 53.58 2auw n TYR 18 Cb 0.15 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 38.61 2auw n TYR 18 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2auw s ARG 19 N -3.31 3.11 0.13 -0.72 3.52 -0.45 -0.86 118.95 120.37 2auw s ARG 19 Ca 0.48 -0.33 0.11 0.00 -0.13 0.00 0.00 55.73 55.85 2auw s ARG 19 Cb 0.28 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 2auw s ARG 19 CO -0.13 0.72 -0.26 -0.51 -0.81 0.00 0.00 175.30 174.31 2auw s LEU 20 N -0.93 2.32 -0.26 -0.88 1.43 0.21 -0.86 118.68 119.72 2auw s LEU 20 Ca 0.14 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 2auw s LEU 20 Cb -0.12 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2auw s LEU 20 CO 0.03 0.17 -0.02 -0.60 0.23 0.00 0.00 176.35 176.16 2auw s ARG 21 N -2.08 3.03 -0.06 1.70 3.52 0.28 -1.86 118.95 123.48 2auw s ARG 21 Ca 0.14 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 2auw s ARG 21 Cb -0.10 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2auw s ARG 21 CO 0.06 -0.37 -0.14 0.95 -0.81 0.00 0.00 175.30 174.99 2auw s THR 22 N 1.41 3.04 -0.05 4.11 -4.23 0.11 -0.94 115.64 119.08 2auw s THR 22 Ca 0.02 -0.72 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 2auw s THR 22 Cb -0.16 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 2auw s THR 22 CO -0.02 0.58 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.51 2auw s THR 23 N -0.53 1.95 0.26 3.99 2.01 0.18 0.26 115.64 123.76 2auw s THR 23 Ca 0.07 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2auw s THR 23 Cb -0.12 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 2auw s THR 23 CO 0.01 0.55 -0.12 0.26 -0.69 0.00 0.00 174.62 174.63 2auw s TRP 24 N -0.19 1.98 0.54 4.92 0.52 0.21 -0.01 118.94 126.91 2auw s TRP 24 Ca -0.02 -0.57 0.24 0.00 0.02 0.00 0.00 56.10 55.77 2auw s TRP 24 Cb -0.13 -1.02 1.54 0.00 -1.15 0.00 0.00 33.47 32.72 2auw s TRP 24 CO 0.03 0.42 2.19 0.66 0.02 0.00 0.00 176.95 180.26 2auw h SER 25 N 2.34 0.00 0.27 2.95 4.64 -0.97 -0.28 113.55 122.50 2auw h SER 25 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2auw h SER 25 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2auw h SER 25 CO 0.65 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.98 2auw n THR 26 N -4.12 0.87 -0.25 2.95 -2.24 -1.26 -4.84 114.28 105.40 2auw n THR 26 Ca -0.03 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2auw n THR 26 Cb 0.11 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2auw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2auw n GLY 27 N -0.30 1.34 3.77 3.38 0.00 -0.12 -5.03 105.19 108.23 2auw n GLY 27 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2auw n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auw s GLU 28 N -0.42 4.22 -0.21 1.61 2.02 -1.25 -4.82 118.70 119.85 2auw s GLU 28 Ca 0.00 1.97 0.01 0.00 0.02 0.00 0.00 54.97 56.97 2auw s GLU 28 Cb 0.00 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.40 2auw s GLU 28 CO 0.00 -0.22 -0.11 0.08 0.02 0.00 0.00 175.26 175.03 2auw s VAL 29 N -1.28 1.72 -0.04 2.63 1.01 -1.26 -0.62 120.40 122.55 2auw s VAL 29 Ca 0.53 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2auw s VAL 29 Cb -0.34 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2auw s VAL 29 CO 0.44 0.16 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 2auw s LEU 30 N 1.36 1.98 0.17 3.92 1.43 0.14 -4.97 118.68 122.71 2auw s LEU 30 Ca -0.02 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2auw s LEU 30 Cb -0.17 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2auw s LEU 30 CO -0.08 0.19 0.34 -1.61 0.23 0.00 0.00 176.35 175.42 2auw s GLU 31 N -0.10 3.48 -0.26 1.70 2.02 -1.26 0.05 118.70 124.34 2auw s GLU 31 Ca -0.02 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 2auw s GLU 31 Cb -0.12 -2.90 0.07 0.00 0.10 0.00 0.00 34.13 31.28 2auw s GLU 31 CO 0.02 0.46 0.67 0.54 0.02 0.00 0.00 175.26 176.97 2auw s VAL 32 N -1.79 -0.00 -0.19 2.63 0.11 -0.78 -4.69 120.40 115.68 2auw s VAL 32 Ca 0.37 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 2auw s VAL 32 Cb -0.11 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2auw s VAL 32 CO 0.29 0.00 0.35 -0.62 -3.33 0.00 0.00 175.10 171.79 2auw s ASP 33 N 0.86 6.40 -0.08 3.54 -1.08 -1.26 -0.62 116.67 124.43 2auw s ASP 33 Ca -0.04 0.47 0.13 0.00 -0.52 0.00 0.00 52.55 52.59 2auw s ASP 33 Cb -0.05 -2.21 0.37 0.00 -1.46 0.00 0.00 42.92 39.57 2auw s ASP 33 CO -0.07 -0.02 1.29 1.33 0.52 0.00 0.00 175.17 178.23 2auw n VAL 34 N 4.14 1.56 -0.04 1.11 0.24 -0.04 -4.71 118.33 120.58 2auw n VAL 34 Ca -0.10 -1.42 -0.10 0.00 -2.04 0.00 0.00 64.34 60.68 2auw n VAL 34 Cb 0.51 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 2auw n VAL 34 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2auw h GLY 35 N 1.65 0.27 0.70 7.63 0.00 -1.93 -1.77 103.07 109.62 2auw h GLY 35 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2auw h GLY 35 CO 0.09 0.09 0.15 -0.55 0.00 0.00 0.00 176.54 176.31 2auw h ASP 36 N 0.25 0.17 -0.17 0.19 3.32 -1.94 -1.54 116.42 116.70 2auw h ASP 36 Ca 0.08 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 2auw h ASP 36 Cb -0.01 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2auw h ASP 36 CO -0.03 0.14 -0.40 -0.29 -1.72 0.00 0.00 179.24 176.93 2auw h ILE 37 N 0.31 1.29 -0.41 0.35 2.10 -1.85 -0.75 117.51 118.55 2auw h ILE 37 Ca 0.17 -1.57 -0.04 0.00 1.08 0.00 0.00 64.86 64.49 2auw h ILE 37 Cb 0.14 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 2auw h ILE 37 CO -0.17 0.51 0.07 -0.07 -1.08 0.00 0.00 178.15 177.41 2auw h LEU 38 N 0.58 0.58 -0.35 2.19 3.38 -0.99 -1.68 115.31 119.03 2auw h LEU 38 Ca 0.05 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2auw h LEU 38 Cb 0.94 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2auw h LEU 38 CO 0.09 0.61 -0.46 0.03 0.09 0.00 0.00 178.44 178.79 2auw h ARG 39 N 0.61 0.00 0.14 1.13 3.08 -1.07 -3.36 114.38 114.90 2auw h ARG 39 Ca 0.13 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.93 2auw h ARG 39 Cb 0.28 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.36 2auw h ARG 39 CO 0.00 0.46 -1.09 -0.22 -1.07 0.00 0.00 179.97 178.05 2auw h LYS 40 N 0.00 0.50 -4.75 0.04 3.64 -0.49 -3.44 116.57 112.07 2auw h LYS 40 Ca -0.00 -0.72 -0.68 0.00 -1.27 0.00 0.00 60.65 57.97 2auw h LYS 40 Cb 1.21 0.25 -0.19 0.00 -0.41 0.00 0.00 32.23 33.09 2auw h LYS 40 CO 0.06 1.32 -0.41 0.42 -2.27 0.00 0.00 179.45 178.58 2auw s ILE 41 N -2.80 5.24 0.26 2.00 1.01 -0.69 -4.97 121.20 121.25 2auw s ILE 41 Ca -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2auw s ILE 41 Cb 0.04 -3.79 0.24 0.00 0.01 0.00 0.00 42.46 38.96 2auw s ILE 41 CO 0.90 -0.10 1.81 -0.65 0.00 0.00 0.00 174.94 176.90 2auw h PRO 42 N 8.52 0.83 -0.10 2.79 0.11 -1.86 -1.01 132.00 141.28 2auw h PRO 42 Ca -0.30 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.79 2auw h PRO 42 Cb 1.15 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2auw h PRO 42 CO 0.67 0.55 0.13 -0.44 -0.21 0.00 0.00 178.00 178.71 2auw h ASP 43 N 0.85 0.00 -0.17 -2.05 3.32 -1.93 -0.69 116.42 115.75 2auw h ASP 43 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2auw h ASP 43 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2auw h ASP 43 CO -0.27 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.43 2auw n LEU 44 N -3.63 1.85 -0.25 1.55 4.77 -0.38 -4.50 117.00 116.40 2auw n LEU 44 Ca -0.01 -0.76 -0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2auw n LEU 44 Cb 0.23 -0.11 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 2auw n LEU 44 CO 0.25 0.38 1.10 0.00 -1.33 0.00 0.00 177.39 177.80 2auw h ALA 45 N 4.14 0.98 -0.04 -1.18 0.00 -1.22 -1.19 119.26 120.75 2auw h ALA 45 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2auw h ALA 45 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2auw h ALA 45 CO 0.00 0.06 0.26 -1.35 0.00 0.00 0.00 179.25 178.22 2auw h PRO 46 N 0.71 0.00 0.00 0.00 0.11 -1.83 -0.89 132.00 130.10 2auw h PRO 46 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2auw h PRO 46 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2auw h PRO 46 CO -0.21 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 178.40 2auw h ILE 47 N 0.00 0.00 0.00 4.15 2.04 -1.56 -3.18 117.51 118.96 2auw h ILE 47 Ca 0.02 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2auw h ILE 47 Cb 0.54 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2auw h ILE 47 CO -0.00 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.94 2auw h LEU 48 N 0.00 0.00 -9.19 1.44 3.38 -1.26 -3.22 115.31 106.47 2auw h LEU 48 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2auw h LEU 48 Cb 0.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2auw h LEU 48 CO 0.00 0.14 1.31 -0.62 0.09 0.00 0.00 178.44 179.36 2auw s ASP 49 N -6.17 6.09 0.58 -0.43 2.15 -1.20 -4.86 116.67 112.83 2auw s ASP 49 Ca -0.02 2.27 0.29 0.00 0.43 0.00 0.00 52.55 55.51 2auw s ASP 49 Cb 0.13 -2.52 1.47 0.00 -0.30 0.00 0.00 42.92 41.70 2auw s ASP 49 CO 0.60 -1.40 1.90 -0.65 -0.17 0.00 0.00 175.17 175.45 2auw h PRO 50 N 12.18 0.00 -0.04 4.34 0.11 -1.91 0.49 132.00 147.16 2auw h PRO 50 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2auw h PRO 50 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2auw h PRO 50 CO 0.95 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.61 2auw h GLU 51 N 0.00 0.12 -0.36 1.05 5.08 -1.92 -2.97 114.58 115.58 2auw h GLU 51 Ca 0.23 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2auw h GLU 51 Cb 1.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2auw h GLU 51 CO -0.00 0.63 -0.22 0.00 -1.00 0.00 0.00 179.01 178.42 2auw h ALA 52 N 0.48 0.93 -0.29 3.43 0.00 -1.26 -2.95 119.26 119.61 2auw h ALA 52 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2auw h ALA 52 Cb 0.62 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2auw h ALA 52 CO 0.02 0.61 0.11 0.35 0.00 0.00 0.00 179.25 180.34 2auw h PHE 53 N 0.63 0.20 -0.00 0.00 3.57 -1.17 -1.97 116.94 118.20 2auw h PHE 53 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2auw h PHE 53 Cb 0.71 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2auw h PHE 53 CO 0.03 0.10 0.30 0.00 -2.23 0.00 0.00 178.31 176.52 2auw h ALA 54 N 1.17 1.31 0.00 2.41 0.00 -1.34 -2.43 119.26 120.37 2auw h ALA 54 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2auw h ALA 54 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2auw h ALA 54 CO -0.12 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.37 2auw n ARG 55 N -2.91 0.88 -1.75 0.00 1.74 -0.74 -4.70 116.66 109.18 2auw n ARG 55 Ca -0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2auw n ARG 55 Cb 0.35 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2auw n ARG 55 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2auw n VAL 56 N -0.79 1.95 -3.95 1.55 3.14 -0.92 -4.79 118.33 114.52 2auw n VAL 56 Ca 0.12 -0.49 -0.09 0.00 -2.96 0.00 0.00 64.34 60.92 2auw n VAL 56 Cb 0.06 -1.87 -0.05 0.00 -1.06 0.00 0.00 33.84 30.92 2auw n VAL 56 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 2auw s HIS 57 N -1.05 0.27 0.13 1.45 -3.43 -0.42 -4.79 115.29 107.45 2auw s HIS 57 Ca 0.54 -0.64 -0.30 0.00 -0.80 0.00 0.00 55.06 53.86 2auw s HIS 57 Cb -0.50 0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 30.80 2auw s HIS 57 CO 0.63 -0.97 1.05 0.42 -2.00 0.00 0.00 174.74 173.87 2auw s ILE 58 N -3.99 4.19 0.21 -5.38 1.01 -1.26 -0.99 121.20 114.99 2auw s ILE 58 Ca 0.20 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 2auw s ILE 58 Cb -0.01 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 2auw s ILE 58 CO 0.06 0.27 1.13 0.00 0.00 0.00 0.00 174.94 176.41 2auw s ALA 59 N 0.05 3.40 -0.23 9.38 0.00 0.15 -4.91 121.76 129.61 2auw s ALA 59 Ca 0.49 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 2auw s ALA 59 Cb -0.26 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2auw s ALA 59 CO 0.32 -0.25 1.49 -2.00 0.00 0.00 0.00 175.76 175.32 2auw s GLU 60 N -0.63 3.90 0.00 0.00 2.12 -1.26 -3.01 118.70 119.82 2auw s GLU 60 Ca 0.49 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2auw s GLU 60 Cb -0.31 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.12 2auw s GLU 60 CO 0.37 -1.16 0.00 1.87 -0.54 0.00 0.00 175.26 175.81 2auw n TRP 61 N 7.93 0.00 0.64 5.30 -0.00 -1.26 -4.77 117.44 125.28 2auw n TRP 61 Ca 0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.80 2auw n TRP 61 Cb 0.45 0.00 0.35 0.00 -0.00 0.00 0.00 31.31 32.11 2auw n TRP 61 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2auw n GLU 62 N 0.00 0.25 -1.91 5.87 1.02 -1.26 -4.92 120.64 119.69 2auw n GLU 62 Ca 0.00 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 2auw n GLU 62 Cb 0.00 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 2auw n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2auw n GLY 63 N 1.33 0.49 3.98 0.62 0.00 -1.16 -4.85 105.19 105.60 2auw n GLY 63 Ca 0.05 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2auw n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2auw s SER 64 N -2.57 6.02 -0.22 1.61 1.04 -1.26 -4.35 113.70 113.97 2auw s SER 64 Ca 0.00 -0.05 -0.27 0.00 0.48 0.00 0.00 55.95 56.11 2auw s SER 64 Cb 0.00 -1.41 -0.00 0.00 0.10 0.00 0.00 66.02 64.71 2auw s SER 64 CO 0.00 -0.41 0.92 -0.69 0.98 0.00 0.00 173.24 174.04 2auw s VAL 65 N -2.21 4.78 0.00 5.02 1.01 -0.21 -0.68 120.40 128.12 2auw s VAL 65 Ca 0.44 1.77 0.02 0.00 0.00 0.00 0.00 61.98 64.21 2auw s VAL 65 Cb -0.10 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2auw s VAL 65 CO 0.32 -0.10 -0.06 -0.70 0.00 0.00 0.00 175.10 174.57 2auw s GLU 66 N 2.84 0.45 0.01 2.72 2.12 -0.16 -2.15 118.70 124.53 2auw s GLU 66 Ca 0.39 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 2auw s GLU 66 Cb -0.15 -0.40 -0.02 0.00 0.26 0.00 0.00 34.13 33.82 2auw s GLU 66 CO 0.08 0.10 -0.10 0.91 -0.54 0.00 0.00 175.26 175.72 2auw n TRP 67 N 2.69 0.00 -0.08 5.30 8.01 -1.26 -1.31 117.44 130.80 2auw n TRP 67 Ca -0.15 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.90 2auw n TRP 67 Cb 0.58 -0.14 -0.05 0.00 -2.01 0.00 0.00 31.31 29.69 2auw n TRP 67 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2auw n PHE 68 N -3.61 0.00 -3.28 -5.99 3.01 -1.26 -4.95 117.46 101.38 2auw n PHE 68 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.35 2auw n PHE 68 Cb 0.14 -0.55 -0.04 0.00 -0.01 0.00 0.00 39.48 39.01 2auw n PHE 68 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2auw s ASP 69 N -6.40 -0.13 -1.20 4.37 2.15 -1.26 -5.02 116.67 109.18 2auw s ASP 69 Ca -0.25 -0.75 -0.10 0.00 0.43 0.00 0.00 52.55 51.88 2auw s ASP 69 Cb 0.07 1.29 0.01 0.00 -0.30 0.00 0.00 42.92 43.99 2auw s ASP 69 CO 0.33 -0.27 0.19 0.35 -0.17 0.00 0.00 175.17 175.60 2auw n THR 70 N 4.82 -1.27 -0.08 1.71 -2.24 -1.26 -4.84 114.28 111.11 2auw n THR 70 Ca 0.07 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2auw n THR 70 Cb 0.51 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 2auw n THR 70 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2auw h GLU 71 N -1.45 0.39 -4.59 -0.78 3.07 -1.90 -3.43 114.58 105.89 2auw h GLU 71 Ca -0.56 -0.06 -0.59 0.00 -0.50 0.00 0.00 59.36 57.65 2auw h GLU 71 Cb 1.17 -0.07 -0.36 0.00 -0.84 0.00 0.00 28.75 28.65 2auw h GLU 71 CO 0.54 0.38 -0.83 -0.06 -1.40 0.00 0.00 179.01 177.64 2auw s PHE 72 N -5.71 2.06 0.38 4.33 2.99 -0.92 -5.03 117.98 116.09 2auw s PHE 72 Ca -0.13 -1.15 -0.28 0.00 0.00 0.00 0.00 56.93 55.37 2auw s PHE 72 Cb 0.08 -1.54 -0.11 0.00 0.00 0.00 0.00 43.02 41.46 2auw s PHE 72 CO 0.72 -0.65 1.49 0.41 -0.00 0.00 0.00 175.22 177.19 2auw n GLY 73 N 4.80 1.19 0.28 4.36 0.00 -1.26 -1.04 105.19 113.51 2auw n GLY 73 Ca -0.16 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2auw n GLY 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2auw h ARG 74 N 2.93 0.00 -0.37 1.61 0.11 -1.89 -2.20 114.38 114.57 2auw h ARG 74 Ca -0.51 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.46 2auw h ARG 74 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 2auw h ARG 74 CO 0.64 0.00 -0.21 0.38 0.10 0.00 0.00 179.97 180.88 2auw h ASP 75 N 0.00 0.82 -0.35 0.08 2.03 -1.93 -0.63 116.42 116.44 2auw h ASP 75 Ca 0.01 -0.42 -0.05 0.00 -0.73 0.00 0.00 57.03 55.84 2auw h ASP 75 Cb 0.05 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.31 2auw h ASP 75 CO -0.00 1.06 0.01 0.78 -1.03 0.00 0.00 179.24 180.06 2auw h ASN 76 N 0.58 0.59 -0.43 4.15 2.35 -1.82 -1.69 115.58 119.32 2auw h ASN 76 Ca 0.08 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2auw h ASN 76 Cb 0.77 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2auw h ASN 76 CO 0.06 0.75 0.23 0.58 -1.65 0.00 0.00 177.43 177.39 2auw h VAL 77 N 0.42 1.00 -0.36 2.81 2.07 -1.33 -1.26 116.25 119.60 2auw h VAL 77 Ca 0.10 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2auw h VAL 77 Cb 0.44 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2auw h VAL 77 CO 0.02 0.08 0.22 0.22 0.02 0.00 0.00 177.57 178.13 2auw h TYR 78 N 0.46 0.47 -0.76 1.57 3.20 -1.01 -2.00 116.97 118.90 2auw h TYR 78 Ca 0.18 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2auw h TYR 78 Cb 0.06 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 2auw h TYR 78 CO -0.09 0.34 0.48 0.00 -1.64 0.00 0.00 178.16 177.24 2auw h ALA 79 N 1.10 1.00 -0.42 1.82 0.00 -1.01 -2.06 119.26 119.69 2auw h ALA 79 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2auw h ALA 79 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2auw h ALA 79 CO -0.02 0.26 -0.16 -1.49 0.00 0.00 0.00 179.25 177.84 2auw h TRP 80 N 0.92 0.88 -0.29 0.00 6.55 -0.82 0.70 115.95 123.89 2auw h TRP 80 Ca 0.31 -0.18 -0.01 0.00 0.95 0.00 0.00 58.89 59.97 2auw h TRP 80 Cb 0.05 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 2auw h TRP 80 CO -0.04 0.89 0.16 0.00 -1.05 0.00 0.00 178.44 178.40 2auw h ALA 81 N 1.12 0.37 -0.23 1.49 0.00 -1.18 0.27 119.26 121.09 2auw h ALA 81 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2auw h ALA 81 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2auw h ALA 81 CO 0.05 -0.11 0.14 0.87 0.00 0.00 0.00 179.25 180.21 2auw h LYS 82 N 0.35 0.32 -0.66 0.00 1.79 -1.02 -1.91 116.57 115.44 2auw h LYS 82 Ca 0.10 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2auw h LYS 82 Cb 0.06 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 2auw h LYS 82 CO -0.02 0.25 0.29 0.93 -1.08 0.00 0.00 179.45 179.82 2auw h GLU 83 N 0.30 0.96 0.00 3.15 5.08 -0.62 -0.06 114.58 123.38 2auw h GLU 83 Ca 0.08 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2auw h GLU 83 Cb 0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2auw h GLU 83 CO -0.02 0.79 -0.20 1.96 -1.00 0.00 0.00 179.01 180.54 2auw h GLN 84 N 0.92 0.00 -0.29 2.33 4.20 -0.35 -1.68 115.11 120.24 2auw h GLN 84 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2auw h GLN 84 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2auw h GLN 84 CO -0.02 0.20 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 2auw n ALA 85 N -2.30 2.46 -1.03 3.87 0.00 -0.73 -4.91 120.51 117.87 2auw n ALA 85 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 2auw n ALA 85 Cb 0.33 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2auw n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2auw n GLY 86 N 0.95 0.46 3.98 0.00 0.00 -0.63 -5.03 105.19 104.92 2auw n GLY 86 Ca 0.10 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2auw n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auw s GLU 87 N -0.85 2.99 -0.17 1.61 2.02 -0.08 -5.01 118.70 119.21 2auw s GLU 87 Ca 0.00 -1.12 -0.24 0.00 0.02 0.00 0.00 54.97 53.64 2auw s GLU 87 Cb 0.00 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 2auw s GLU 87 CO 0.00 -0.03 0.75 0.08 0.02 0.00 0.00 175.26 176.08 2auw s VAL 88 N -2.24 4.94 0.38 2.63 1.01 -1.26 -3.89 120.40 121.96 2auw s VAL 88 Ca 0.47 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 2auw s VAL 88 Cb -0.09 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2auw s VAL 88 CO 0.31 0.07 0.62 -0.94 0.00 0.00 0.00 175.10 175.16 2auw s SER 89 N 1.14 6.30 0.62 3.32 1.04 -1.26 -4.40 113.70 120.46 2auw s SER 89 Ca 0.35 0.61 0.34 0.00 0.48 0.00 0.00 55.95 57.73 2auw s SER 89 Cb -0.16 -2.10 1.98 0.00 0.10 0.00 0.00 66.02 65.83 2auw s SER 89 CO 0.12 -0.37 2.26 1.12 0.98 0.00 0.00 173.24 177.35 2auw h HIS 90 N 0.68 0.00 0.00 5.02 2.07 -1.89 -2.56 115.15 118.47 2auw h HIS 90 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2auw h HIS 90 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2auw h HIS 90 CO 0.54 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.79 2auw n GLU 91 N -3.57 0.77 0.00 5.12 1.02 -1.26 -0.91 120.64 121.81 2auw n GLU 91 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2auw n GLU 91 Cb 0.13 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2auw n GLU 91 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2auw n PHE 93 N 0.67 0.00 -0.37 -0.32 7.35 -0.96 -0.32 117.46 123.50 2auw n PHE 93 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2auw n PHE 93 Cb 0.38 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.37 2auw n PHE 93 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2auw h GLY 94 N 0.00 1.47 1.03 7.13 0.00 -1.31 -2.75 103.07 108.64 2auw h GLY 94 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2auw h GLY 94 CO 0.00 0.40 0.31 -0.55 0.00 0.00 0.00 176.54 176.69 2auw h ASP 95 N 1.23 1.02 0.00 0.19 3.32 -0.93 -0.21 116.42 121.04 2auw h ASP 95 Ca 0.41 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2auw h ASP 95 Cb 0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2auw h ASP 95 CO -0.14 0.90 0.00 1.87 -1.72 0.00 0.00 179.24 180.15 2auw n TRP 96 N -4.34 0.00 0.00 4.55 -0.00 -1.04 -1.44 117.44 115.16 2auw n TRP 96 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 2auw n TRP 96 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.48 2auw n TRP 96 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2auw n HIS 98 N 0.49 0.00 0.18 5.87 8.25 -0.09 -2.84 115.22 127.08 2auw n HIS 98 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2auw n HIS 98 Cb 0.00 0.00 0.52 0.00 1.12 0.00 0.00 29.99 31.63 2auw n HIS 98 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2auw n ARG 99 N 0.00 0.13 -0.14 -0.41 1.85 -0.52 -0.52 116.66 117.05 2auw n ARG 99 Ca 0.00 0.60 0.06 0.00 -1.00 0.00 0.00 57.85 57.51 2auw n ARG 99 Cb 0.00 -1.90 0.14 0.00 -1.05 0.00 0.00 32.46 29.64 2auw n ARG 99 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2auw n ASN 100 N -2.18 2.74 -3.92 2.89 3.02 -1.13 -5.01 115.26 111.67 2auw n ASN 100 Ca -0.01 -1.87 -0.25 0.00 -0.03 0.00 0.00 54.58 52.42 2auw n ASN 100 Cb 0.06 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 2auw n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2auw n ASN 101 N 0.61 -0.54 -4.88 6.41 4.13 0.32 -4.95 115.26 116.36 2auw n ASN 101 Ca 0.11 -0.99 -0.37 0.00 1.68 0.00 0.00 54.58 55.01 2auw n ASN 101 Cb 0.40 -3.16 -0.06 0.00 -1.54 0.00 0.00 39.78 35.42 2auw n ASN 101 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2auw s LEU 102 N -6.92 4.40 0.76 3.41 1.43 -1.26 -5.04 118.68 115.46 2auw s LEU 102 Ca 0.02 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2auw s LEU 102 Cb -0.01 -2.13 0.13 0.00 0.03 0.00 0.00 46.19 44.21 2auw s LEU 102 CO 0.88 0.40 1.05 -0.94 0.23 0.00 0.00 176.35 177.97 2auw s SER 103 N -1.05 4.21 0.31 2.29 1.04 -1.26 -4.73 113.70 114.50 2auw s SER 103 Ca 0.16 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.54 2auw s SER 103 Cb -0.12 -0.30 0.61 0.00 0.10 0.00 0.00 66.02 66.30 2auw s SER 103 CO 0.05 -1.96 1.88 -0.07 0.98 0.00 0.00 173.24 174.11 2auw h LEU 104 N -0.74 0.85 -0.03 2.42 3.38 -1.98 0.10 115.31 119.32 2auw h LEU 104 Ca -0.40 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2auw h LEU 104 Cb 1.27 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2auw h LEU 104 CO 0.43 0.49 -0.02 0.74 0.09 0.00 0.00 178.44 180.17 2auw h THR 105 N 0.94 1.36 0.00 0.22 2.02 -1.94 -1.70 112.91 113.81 2auw h THR 105 Ca 0.44 -1.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 2auw h THR 105 Cb 0.42 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2auw h THR 105 CO -0.20 0.30 -0.67 0.71 0.37 0.00 0.00 175.52 176.03 2auw h THR 106 N -0.37 1.36 -0.35 3.16 1.35 -1.89 -1.45 112.91 114.72 2auw h THR 106 Ca 0.01 -2.39 -0.02 0.00 -0.55 0.00 0.00 66.41 63.46 2auw h THR 106 Cb 0.50 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2auw h THR 106 CO 0.01 0.66 0.16 0.00 -0.25 0.00 0.00 175.52 176.09 2auw h ALA 107 N 1.33 0.46 -0.59 6.62 0.00 -0.87 0.13 119.26 126.33 2auw h ALA 107 Ca -0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2auw h ALA 107 Cb 1.28 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2auw h ALA 107 CO 0.09 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.68 2auw h ALA 108 N 1.01 0.77 -0.44 0.00 0.00 -1.07 -1.78 119.26 117.75 2auw h ALA 108 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2auw h ALA 108 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2auw h ALA 108 CO -0.01 -0.02 -0.02 1.05 0.00 0.00 0.00 179.25 180.25 2auw h GLU 109 N 0.59 0.79 -0.63 0.00 4.11 -1.18 -1.31 114.58 116.95 2auw h GLU 109 Ca 0.26 -0.26 0.09 0.00 0.07 0.00 0.00 59.36 59.53 2auw h GLU 109 Cb 0.16 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 2auw h GLU 109 CO -0.17 0.87 0.26 0.00 0.07 0.00 0.00 179.01 180.03 2auw h ALA 110 N 0.90 0.83 0.00 1.06 0.00 -0.35 -3.17 119.26 118.53 2auw h ALA 110 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2auw h ALA 110 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2auw h ALA 110 CO 0.03 -0.16 -1.26 1.28 0.00 0.00 0.00 179.25 179.13 2auw n LEU 111 N -4.97 0.54 -0.57 0.00 4.77 -0.70 -4.97 117.00 111.09 2auw n LEU 111 Ca 0.09 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 2auw n LEU 111 Cb 0.28 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2auw n LEU 111 CO 0.23 0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 2auw n GLY 112 N 1.35 0.46 3.43 -0.72 0.00 -0.55 -5.06 105.19 104.10 2auw n GLY 112 Ca 0.01 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2auw n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2auw s ILE 113 N -2.52 0.93 0.67 -0.61 -4.36 -0.87 -5.06 121.20 109.38 2auw s ILE 113 Ca 0.03 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 2auw s ILE 113 Cb -0.01 -2.67 -0.00 0.00 1.25 0.00 0.00 42.46 41.02 2auw s ILE 113 CO 0.04 0.00 1.06 -0.94 0.24 0.00 0.00 174.94 175.34 2auw s SER 114 N -3.47 5.52 0.34 4.36 1.04 -1.26 -4.50 113.70 115.72 2auw s SER 114 Ca 0.34 1.63 0.03 0.00 0.48 0.00 0.00 55.95 58.43 2auw s SER 114 Cb 0.07 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.30 2auw s SER 114 CO 0.15 -1.35 1.95 0.03 0.98 0.00 0.00 173.24 175.00 2auw h ARG 115 N -0.51 0.74 -0.27 4.02 3.08 -1.92 -2.43 114.38 117.08 2auw h ARG 115 Ca -0.44 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2auw h ARG 115 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2auw h ARG 115 CO 0.57 0.57 0.00 -2.13 -1.07 0.00 0.00 179.97 177.91 2auw n ARG 116 N -4.38 0.06 0.00 0.04 3.00 -1.26 -1.16 116.66 112.97 2auw n ARG 116 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2auw n ARG 116 Cb 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2auw n ARG 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2auw n VAL 118 N 0.52 0.00 -0.24 5.15 0.31 -0.92 -0.71 118.33 122.44 2auw n VAL 118 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2auw n VAL 118 Cb 0.02 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.99 2auw n VAL 118 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2auw h SER 119 N 0.00 0.88 -0.81 4.52 0.87 -1.42 -1.55 113.55 116.04 2auw h SER 119 Ca 0.00 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2auw h SER 119 Cb 0.00 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 2auw h SER 119 CO 0.00 0.77 0.54 1.88 -0.53 0.00 0.00 176.83 179.49 2auw h TYR 120 N 0.93 1.02 -0.41 2.24 0.99 -1.19 -1.05 116.97 119.50 2auw h TYR 120 Ca 0.23 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.90 2auw h TYR 120 Cb 0.13 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.50 2auw h TYR 120 CO 0.01 0.64 -0.07 1.88 -0.00 0.00 0.00 178.16 180.62 2auw h TYR 121 N 1.10 0.87 0.00 4.88 0.99 -1.71 0.61 116.97 123.70 2auw h TYR 121 Ca 0.30 -0.18 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 2auw h TYR 121 Cb -0.13 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.37 2auw h TYR 121 CO -0.02 0.89 -0.49 0.07 -0.00 0.00 0.00 178.16 178.61 2auw h ARG 122 N 0.60 0.00 -0.21 4.88 0.11 -1.01 -3.10 114.38 115.64 2auw h ARG 122 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2auw h ARG 122 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2auw h ARG 122 CO 0.04 0.49 0.00 0.25 0.10 0.00 0.00 179.97 180.85 2auw n THR 123 N -3.66 0.26 -2.32 0.08 -2.24 -0.42 -4.82 114.28 101.16 2auw n THR 123 Ca -0.01 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 2auw n THR 123 Cb 0.56 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 2auw n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2auw n ALA 124 N 1.11 -0.56 0.16 6.98 0.00 -0.86 -0.45 120.51 126.89 2auw n ALA 124 Ca 0.17 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.82 2auw n ALA 124 Cb 0.53 -2.08 0.18 0.00 0.00 0.00 0.00 19.45 18.08 2auw n ALA 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2auw h HIS 125 N 0.00 0.00 -3.62 0.00 6.17 -1.19 -3.39 115.15 113.12 2auw h HIS 125 Ca -0.46 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.31 2auw h HIS 125 Cb 1.34 0.00 -0.32 0.00 2.52 0.00 0.00 27.41 30.95 2auw h HIS 125 CO 0.52 0.45 -0.74 0.21 0.71 0.00 0.00 177.93 179.08 2auw s LYS 126 N -3.27 0.22 0.47 5.26 2.20 -1.04 -5.01 119.74 118.57 2auw s LYS 126 Ca 0.02 0.02 -0.24 0.00 -0.36 0.00 0.00 55.97 55.41 2auw s LYS 126 Cb 0.09 -0.34 -0.07 0.00 -1.51 0.00 0.00 37.83 36.00 2auw s LYS 126 CO 0.72 -0.07 1.36 0.96 -0.36 0.00 0.00 175.35 177.96 2auw s ILE 127 N 0.60 2.28 -0.35 5.43 -4.36 -1.26 -4.39 121.20 119.15 2auw s ILE 127 Ca -0.06 0.24 -0.28 0.00 -0.26 0.00 0.00 60.65 60.29 2auw s ILE 127 Cb -0.09 -3.13 0.02 0.00 1.25 0.00 0.00 42.46 40.51 2auw s ILE 127 CO -0.01 0.02 1.04 -0.63 0.24 0.00 0.00 174.94 175.59 2auw s ILE 128 N -1.27 4.51 0.54 8.37 1.01 -1.26 -5.00 121.20 128.09 2auw s ILE 128 Ca 0.63 1.54 -0.21 0.00 0.00 0.00 0.00 60.65 62.61 2auw s ILE 128 Cb -0.40 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 2auw s ILE 128 CO 0.50 -0.54 1.30 -2.84 0.00 0.00 0.00 174.94 173.36 2auw s PRO 129 N 3.67 3.22 0.31 2.79 0.02 -1.26 -4.60 135.00 139.15 2auw s PRO 129 Ca 0.43 2.09 0.07 0.00 0.02 0.00 0.00 61.00 63.62 2auw s PRO 129 Cb -0.12 -2.23 0.87 0.00 0.02 0.00 0.00 34.50 33.04 2auw s PRO 129 CO 0.18 -1.08 1.66 -0.09 -0.33 0.00 0.00 177.00 177.34 2auw h ARG 130 N 1.47 0.27 -0.77 5.54 2.43 -1.99 -2.01 114.38 119.33 2auw h ARG 130 Ca -0.51 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.72 2auw h ARG 130 Cb 1.29 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 2auw h ARG 130 CO 0.57 0.18 0.45 1.15 -1.51 0.00 0.00 179.97 180.81 2auw h THR 131 N 0.28 0.97 -0.42 0.20 2.02 -2.00 -1.85 112.91 112.11 2auw h THR 131 Ca 0.63 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 67.38 2auw h THR 131 Cb 1.34 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2auw h THR 131 CO -0.63 0.15 -0.33 0.40 0.37 0.00 0.00 175.52 175.48 2auw h ILE 132 N 0.80 1.27 -0.32 3.11 1.08 -1.74 -1.89 117.51 119.82 2auw h ILE 132 Ca 0.35 -1.50 -0.12 0.00 -0.39 0.00 0.00 64.86 63.20 2auw h ILE 132 Cb 0.24 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2auw h ILE 132 CO -0.20 0.51 -0.30 -0.25 -0.69 0.00 0.00 178.15 177.22 2auw h TRP 133 N 0.80 0.79 -0.75 1.37 2.91 -1.23 -0.59 115.95 119.26 2auw h TRP 133 Ca 0.08 -0.20 0.01 0.00 1.13 0.00 0.00 58.89 59.91 2auw h TRP 133 Cb 0.92 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.35 2auw h TRP 133 CO 0.06 0.90 0.50 -0.07 -1.03 0.00 0.00 178.44 178.80 2auw h LEU 134 N 0.58 0.86 -0.59 0.65 3.38 -1.26 -1.75 115.31 117.18 2auw h LEU 134 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2auw h LEU 134 Cb 0.80 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2auw h LEU 134 CO 0.07 0.62 0.37 0.00 0.09 0.00 0.00 178.44 179.59 2auw h ALA 135 N 1.28 0.75 -0.06 1.53 0.00 -1.04 0.31 119.26 122.04 2auw h ALA 135 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2auw h ALA 135 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2auw h ALA 135 CO -0.06 0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 2auw h LEU 137 N -0.12 0.43 -0.93 0.00 3.38 -1.13 -2.03 115.31 114.91 2auw h LEU 137 Ca 0.05 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 57.96 2auw h LEU 137 Cb 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2auw h LEU 137 CO -0.13 0.54 0.53 1.23 0.09 0.00 0.00 178.44 180.70 2auw h GLY 138 N 0.30 1.57 0.96 0.83 0.00 -0.26 0.46 103.07 106.93 2auw h GLY 138 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2auw h GLY 138 CO -0.00 -0.02 0.06 -0.25 0.00 0.00 0.00 176.54 176.33 2auw h TRP 139 N 0.73 0.78 -0.49 5.60 7.01 -0.52 -2.63 115.95 126.43 2auw h TRP 139 Ca 0.51 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.38 2auw h TRP 139 Cb 0.72 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2auw h TRP 139 CO -0.05 0.75 0.22 0.93 -2.79 0.00 0.00 178.44 177.50 2auw h GLU 140 N 0.59 0.68 0.00 2.65 5.08 -0.60 -2.68 114.58 120.30 2auw h GLU 140 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2auw h GLU 140 Cb 0.40 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2auw h GLU 140 CO 0.01 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 2auw n ALA 141 N -2.46 2.02 -0.17 3.43 0.00 0.07 -3.64 120.51 119.76 2auw n ALA 141 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.48 2auw n ALA 141 Cb 0.13 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.26 2auw n ALA 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2auw n THR 142 N -1.83 1.11 -2.21 0.00 -2.24 -1.02 -4.53 114.28 103.57 2auw n THR 142 Ca 0.05 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.34 2auw n THR 142 Cb 0.30 0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2auw n THR 142 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2auw s ARG 143 N -1.20 3.66 0.99 -0.78 1.81 -1.18 -4.50 118.95 117.74 2auw s ARG 143 Ca 0.12 1.81 -0.14 0.00 -1.72 0.00 0.00 55.73 55.80 2auw s ARG 143 Cb 0.07 -2.36 0.18 0.00 -0.45 0.00 0.00 34.95 32.40 2auw s ARG 143 CO 0.06 -0.65 1.15 -1.25 -0.68 0.00 0.00 175.30 173.93 2auw s PRO 144 N -2.77 0.49 -0.36 3.54 0.04 -1.26 -5.07 135.00 129.62 2auw s PRO 144 Ca 0.65 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 2auw s PRO 144 Cb -0.29 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2auw s PRO 144 CO 0.35 -2.61 2.29 -1.21 0.04 0.00 0.00 177.00 175.86 2auw s GLU 145 N -5.32 2.65 0.68 4.56 8.01 -1.26 -5.00 118.70 123.01 2auw s GLU 145 Ca 0.67 1.69 -0.10 0.00 0.01 0.00 0.00 54.97 57.24 2auw s GLU 145 Cb -0.13 -4.47 0.15 0.00 -4.31 0.00 0.00 34.13 25.37 2auw s GLU 145 CO 0.54 -2.66 0.93 -2.37 0.01 0.00 0.00 175.26 171.71 2auw n THR 146 N 7.85 0.00 -0.29 3.63 5.66 -1.26 -4.98 114.28 124.89 2auw n THR 146 Ca 0.33 -0.81 -0.05 0.00 -3.05 0.00 0.00 64.05 60.46 2auw n THR 146 Cb 0.50 -1.51 0.07 0.00 -1.55 0.00 0.00 70.33 67.84 2auw n THR 146 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2auw h LYS 147 N 0.00 1.12 -4.51 1.09 1.57 -2.02 -3.45 116.57 110.38 2auw h LYS 147 Ca -0.30 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.11 2auw h LYS 147 Cb 0.88 -0.21 -0.15 0.00 0.08 0.00 0.00 32.23 32.83 2auw h LYS 147 CO 0.23 0.85 -0.61 0.95 -0.57 0.00 0.00 179.45 180.30 2auw s THR 148 N -5.77 0.03 0.45 -0.16 -4.23 -1.26 -5.16 115.64 99.54 2auw s THR 148 Ca -0.13 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 2auw s THR 148 Cb 0.15 -2.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 2auw s THR 148 CO 0.82 -0.14 1.15 -0.76 -0.54 0.00 0.00 174.62 175.15 2auw s LEU 149 N -3.12 4.03 0.67 4.79 1.43 -1.26 -5.02 118.68 120.19 2auw s LEU 149 Ca 0.34 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 2auw s LEU 149 Cb 0.07 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 2auw s LEU 149 CO 0.09 -0.87 1.05 -2.16 0.23 0.00 0.00 176.35 174.68 2auw s PRO 150 N -2.68 3.18 0.33 1.29 0.04 -1.26 -4.97 135.00 130.94 2auw s PRO 150 Ca 0.63 0.89 0.18 0.00 0.04 0.00 0.00 61.00 62.73 2auw s PRO 150 Cb -0.28 -2.02 0.26 0.00 0.04 0.00 0.00 34.50 32.50 2auw s PRO 150 CO 0.34 -0.90 1.54 0.00 0.04 0.00 0.00 177.00 178.02 2auw h ARG 151 N -0.54 0.00 -4.42 4.56 3.08 -2.06 -3.46 114.38 111.53 2auw h ARG 151 Ca -0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.43 2auw h ARG 151 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.10 2auw h ARG 151 CO 0.59 0.39 -0.65 0.95 -1.07 0.00 0.00 179.97 180.17 2auw s THR 152 N -3.13 0.14 0.49 2.04 -4.23 -1.26 -5.15 115.64 104.55 2auw s THR 152 Ca 0.04 -1.90 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 2auw s THR 152 Cb 0.08 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.86 2auw s THR 152 CO 0.72 -0.53 1.38 -0.76 -0.54 0.00 0.00 174.62 174.89 2auw s LEU 153 N -3.04 4.00 0.00 4.79 1.43 -1.26 -5.10 118.68 119.50 2auw s LEU 153 Ca 0.22 2.83 0.16 0.00 -1.03 0.00 0.00 54.13 56.31 2auw s LEU 153 Cb 0.07 -4.09 0.98 0.00 0.03 0.00 0.00 46.19 43.18 2auw s LEU 153 CO 0.00 -1.33 1.38 -2.65 0.23 0.00 0.00 176.35 173.99