#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aur s THR 2 N 0.00 2.12 0.49 1.12 2.01 -1.26 -5.00 115.64 115.13 1aur s THR 2 Ca 0.00 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1aur s THR 2 Cb 0.00 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.38 1aur s THR 2 CO 0.00 0.01 1.11 -1.61 -0.69 0.00 0.00 174.62 173.44 1aur s GLU 3 N 0.48 3.65 0.58 4.92 8.01 -1.26 -4.58 118.70 130.49 1aur s GLU 3 Ca 0.69 1.58 -0.21 0.00 0.01 0.00 0.00 54.97 57.05 1aur s GLU 3 Cb -0.48 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.12 1aur s GLU 3 CO 0.38 -0.60 1.33 -2.30 0.01 0.00 0.00 175.26 174.08 1aur n PRO 4 N -0.89 1.51 -2.46 0.39 -0.02 -1.26 -4.62 135.00 127.65 1aur n PRO 4 Ca 0.09 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 1aur n PRO 4 Cb 0.50 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1aur n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aur s LEU 5 N -3.65 4.28 -0.09 2.45 1.43 0.34 -4.85 118.68 118.59 1aur s LEU 5 Ca 0.75 2.19 0.01 0.00 -1.03 0.00 0.00 54.13 56.04 1aur s LEU 5 Cb -0.41 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 41.86 1aur s LEU 5 CO 0.47 -0.43 -0.10 -0.63 0.23 0.00 0.00 176.35 175.89 1aur s ILE 6 N -1.44 1.11 -0.28 -0.59 1.01 -1.26 0.76 121.20 120.51 1aur s ILE 6 Ca 0.53 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1aur s ILE 6 Cb -0.27 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.17 1aur s ILE 6 CO 0.34 0.37 -0.01 -0.76 0.00 0.00 0.00 174.94 174.88 1aur s LEU 7 N 1.22 3.60 0.24 2.97 1.43 -0.10 -4.99 118.68 123.04 1aur s LEU 7 Ca -0.04 -1.01 -0.31 0.00 -1.03 0.00 0.00 54.13 51.74 1aur s LEU 7 Cb -0.14 -1.72 -0.12 0.00 0.03 0.00 0.00 46.19 44.24 1aur s LEU 7 CO -0.03 -0.19 1.67 -1.58 0.23 0.00 0.00 176.35 176.45 1aur s GLN 8 N 1.33 4.13 0.74 1.70 0.74 -1.26 -3.03 119.66 124.00 1aur s GLN 8 Ca -0.02 2.59 -0.13 0.00 0.05 0.00 0.00 55.36 57.86 1aur s GLN 8 Cb -0.18 -3.06 0.18 0.00 1.10 0.00 0.00 33.01 31.05 1aur s GLN 8 CO -0.02 -0.71 0.87 -0.35 -0.55 0.00 0.00 175.29 174.53 1aur n PRO 9 N 3.37 -1.46 -0.04 1.67 -0.04 -1.26 -4.97 135.00 132.26 1aur n PRO 9 Ca 0.13 -1.35 -0.13 0.00 -0.04 0.00 0.00 63.50 62.11 1aur n PRO 9 Cb 0.36 -1.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.69 1aur n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aur h ALA 10 N -2.09 -0.01 -6.06 0.55 0.00 -1.74 -3.45 119.26 106.46 1aur h ALA 10 Ca -0.29 -0.39 -0.46 0.00 0.00 0.00 0.00 54.91 53.77 1aur h ALA 10 Cb 0.84 0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.69 1aur h ALA 10 CO 0.20 -0.10 0.01 1.63 0.00 0.00 0.00 179.25 180.99 1aur n LYS 11 N -4.72 0.31 -1.93 0.00 5.02 0.32 -5.05 118.16 112.11 1aur n LYS 11 Ca -0.09 -2.84 -0.38 0.00 -2.02 0.00 0.00 58.31 52.98 1aur n LYS 11 Cb 0.38 -0.41 0.03 0.00 -0.02 0.00 0.00 35.03 35.00 1aur n LYS 11 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1aur s PRO 12 N -4.75 3.27 -0.06 1.97 0.02 -1.26 -4.66 135.00 129.53 1aur s PRO 12 Ca 0.61 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 1aur s PRO 12 Cb -0.04 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 1aur s PRO 12 CO 0.40 -1.03 1.28 0.00 -0.33 0.00 0.00 177.00 177.32 1aur s ALA 13 N -1.40 3.55 0.00 -1.55 0.00 -1.26 -4.65 121.76 116.46 1aur s ALA 13 Ca 0.70 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1aur s ALA 13 Cb -0.36 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1aur s ALA 13 CO 0.43 -0.90 0.95 -0.40 0.00 0.00 0.00 175.76 175.84 1aur n ASP 14 N 5.55 1.87 -3.85 0.00 5.68 -0.24 -4.86 116.55 120.69 1aur n ASP 14 Ca 0.12 -1.91 -0.09 0.00 -0.50 0.00 0.00 54.79 52.41 1aur n ASP 14 Cb 0.45 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.36 1aur n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aur s ALA 15 N -0.91 -0.26 0.01 2.12 0.00 -0.85 -4.51 121.76 117.36 1aur s ALA 15 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1aur s ALA 15 Cb 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1aur s ALA 15 CO 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 175.76 175.24 1aur s VAL 17 N -0.49 1.70 -0.25 0.00 1.01 0.12 -0.02 120.40 122.47 1aur s VAL 17 Ca -0.03 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1aur s VAL 17 Cb -0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1aur s VAL 17 CO -0.00 0.42 0.57 -0.63 0.00 0.00 0.00 175.10 175.45 1aur s ILE 18 N 1.42 5.04 -0.19 2.22 1.01 0.11 -0.26 121.20 130.55 1aur s ILE 18 Ca 0.04 1.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 1aur s ILE 18 Cb -0.14 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1aur s ILE 18 CO -0.11 0.07 -0.05 0.86 0.00 0.00 0.00 174.94 175.72 1aur s TRP 19 N 2.31 1.88 -0.16 3.97 -0.11 -0.29 0.56 118.94 127.10 1aur s TRP 19 Ca 0.24 -1.30 -0.11 0.00 1.22 0.00 0.00 56.10 56.15 1aur s TRP 19 Cb -0.16 -1.38 -0.05 0.00 -1.50 0.00 0.00 33.47 30.38 1aur s TRP 19 CO 0.09 -0.67 0.19 -0.51 -4.62 0.00 0.00 176.95 171.42 1aur s LEU 20 N 1.57 4.27 1.01 5.86 1.02 0.04 -4.02 118.68 128.44 1aur s LEU 20 Ca -0.02 0.40 -0.14 0.00 0.02 0.00 0.00 54.13 54.39 1aur s LEU 20 Cb -0.17 -2.18 0.20 0.00 0.02 0.00 0.00 46.19 44.06 1aur s LEU 20 CO -0.07 0.22 1.12 -1.38 0.02 0.00 0.00 176.35 176.26 1aur s HIS 21 N -0.02 1.91 0.00 0.29 -3.43 -1.26 -1.66 115.29 111.12 1aur s HIS 21 Ca 0.13 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.21 1aur s HIS 21 Cb -0.12 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 1aur s HIS 21 CO 0.02 -2.93 0.00 0.41 -2.00 0.00 0.00 174.74 170.23 1aur n GLY 22 N -1.49 1.18 3.69 -1.38 0.00 -1.23 -2.56 105.19 103.39 1aur n GLY 22 Ca 0.07 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1aur n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aur s LEU 23 N 0.00 4.35 0.00 0.99 2.96 -1.26 -2.60 118.68 123.12 1aur s LEU 23 Ca 0.00 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1aur s LEU 23 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1aur s LEU 23 CO 0.00 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 1aur n GLY 24 N 3.96 1.62 1.65 7.98 0.00 -0.70 -5.03 105.19 114.67 1aur n GLY 24 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1aur n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aur n ALA 25 N -0.98 -0.55 -3.25 4.61 0.00 -1.07 -4.81 120.51 114.47 1aur n ALA 25 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1aur n ALA 25 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1aur n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aur n ASP 26 N -3.31 0.51 0.32 0.00 5.68 -1.26 -4.60 116.55 113.90 1aur n ASP 26 Ca 0.07 -0.98 0.22 0.00 -0.50 0.00 0.00 54.79 53.60 1aur n ASP 26 Cb 0.25 0.00 1.14 0.00 -1.14 0.00 0.00 41.12 41.37 1aur n ASP 26 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1aur h ARG 27 N 0.00 0.00 0.00 0.11 0.11 -1.86 -2.66 114.38 110.09 1aur h ARG 27 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1aur h ARG 27 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1aur h ARG 27 CO 0.00 0.00 -0.38 1.88 0.10 0.00 0.00 179.97 181.57 1aur h TYR 28 N 0.00 0.00 0.00 4.08 0.05 -1.94 -3.38 116.97 115.78 1aur h TYR 28 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1aur h TYR 28 Cb 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 1aur h TYR 28 CO 0.00 0.00 -0.10 0.22 -1.05 0.00 0.00 178.16 177.23 1aur h ASP 29 N 0.00 0.00 -0.10 3.88 3.58 -1.88 -2.18 116.42 119.73 1aur h ASP 29 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1aur h ASP 29 Cb 0.81 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1aur h ASP 29 CO 0.00 0.10 -0.03 0.49 -2.88 0.00 0.00 179.24 176.92 1aur n PHE 30 N -4.26 0.34 0.04 0.28 3.72 -1.26 -4.58 117.46 111.75 1aur n PHE 30 Ca -0.03 -1.02 -0.12 0.00 -0.05 0.00 0.00 57.45 56.24 1aur n PHE 30 Cb 0.18 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.43 1aur n PHE 30 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1aur h MET 31 N 0.67 -0.01 -0.43 -1.08 4.05 -1.60 -1.92 114.93 114.61 1aur h MET 31 Ca 0.01 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1aur h MET 31 Cb 1.17 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1aur h MET 31 CO 0.09 0.02 0.30 -1.35 0.23 0.00 0.00 176.91 176.20 1aur h PRO 32 N -0.05 0.14 0.02 0.39 0.11 -1.81 0.14 132.00 130.95 1aur h PRO 32 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1aur h PRO 32 Cb 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1aur h PRO 32 CO 0.00 0.10 -0.01 0.28 -0.21 0.00 0.00 178.00 178.16 1aur h VAL 33 N 0.15 1.47 -0.71 3.15 2.07 -1.85 -1.67 116.25 118.86 1aur h VAL 33 Ca 0.20 -1.73 0.13 0.00 0.82 0.00 0.00 66.70 66.12 1aur h VAL 33 Cb 0.60 2.60 -0.13 0.00 -1.52 0.00 0.00 31.29 32.84 1aur h VAL 33 CO -0.03 0.43 -0.25 0.00 0.02 0.00 0.00 177.57 177.74 1aur h ALA 34 N 0.10 0.29 -0.04 1.67 0.00 -1.12 0.27 119.26 120.43 1aur h ALA 34 Ca -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1aur h ALA 34 Cb 0.73 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1aur h ALA 34 CO 0.00 -0.52 -0.02 0.93 0.00 0.00 0.00 179.25 179.65 1aur h GLU 35 N -0.06 0.08 -0.68 0.00 5.08 -0.75 -1.36 114.58 116.90 1aur h GLU 35 Ca 0.32 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1aur h GLU 35 Cb 0.55 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 1aur h GLU 35 CO -0.75 0.48 -0.28 0.00 -1.00 0.00 0.00 179.01 177.45 1aur h ALA 36 N 0.60 0.16 0.00 3.43 0.00 -1.19 0.08 119.26 122.34 1aur h ALA 36 Ca 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1aur h ALA 36 Cb 0.46 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aur h ALA 36 CO 0.01 -0.58 -0.06 -0.07 0.00 0.00 0.00 179.25 178.55 1aur h LEU 37 N -0.09 0.00 -0.05 0.00 3.38 -0.28 -2.20 115.31 116.07 1aur h LEU 37 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1aur h LEU 37 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aur h LEU 37 CO -0.73 0.06 -0.07 0.00 0.09 0.00 0.00 178.44 177.79 1aur n GLN 38 N -4.22 0.34 0.27 1.13 6.02 -0.02 -2.14 117.38 118.76 1aur n GLN 38 Ca -0.03 -0.05 0.15 0.00 -0.01 0.00 0.00 57.00 57.06 1aur n GLN 38 Cb 0.14 -1.50 0.77 0.00 1.02 0.00 0.00 30.24 30.68 1aur n GLN 38 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1aur h GLU 39 N 0.13 0.00 0.00 -1.09 5.08 -1.00 -3.36 114.58 114.34 1aur h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aur h GLU 39 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1aur h GLU 39 CO 0.00 0.09 -0.83 -1.13 -1.00 0.00 0.00 179.01 176.14 1aur n SER 40 N -3.45 4.15 -4.50 1.42 3.41 -1.06 -4.88 113.62 108.70 1aur n SER 40 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1aur n SER 40 Cb 0.24 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1aur n SER 40 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1aur s LEU 41 N -3.19 4.11 0.40 1.04 1.43 -0.91 -4.88 118.68 116.68 1aur s LEU 41 Ca 0.00 -1.42 0.22 0.00 -1.03 0.00 0.00 54.13 51.89 1aur s LEU 41 Cb 0.00 -2.49 0.41 0.00 0.03 0.00 0.00 46.19 44.14 1aur s LEU 41 CO 0.00 -1.40 1.62 -0.07 0.23 0.00 0.00 176.35 176.73 1aur h LEU 42 N 11.80 0.00 -2.82 1.79 4.07 -1.89 -3.33 115.31 124.93 1aur h LEU 42 Ca 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1aur h LEU 42 Cb 1.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 1aur h LEU 42 CO 1.26 0.17 -0.29 0.35 -1.08 0.00 0.00 178.44 178.85 1aur n THR 43 N -3.17 1.47 -3.81 0.22 -2.24 -1.26 -0.52 114.28 104.98 1aur n THR 43 Ca 0.03 -1.99 -0.36 0.00 -2.27 0.00 0.00 64.05 59.45 1aur n THR 43 Cb 0.56 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1aur n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aur s THR 44 N -2.21 4.69 0.21 4.28 2.01 -1.25 -1.08 115.64 122.29 1aur s THR 44 Ca 0.28 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 1aur s THR 44 Cb 0.26 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1aur s THR 44 CO -0.02 0.36 0.73 -0.60 -0.69 0.00 0.00 174.62 174.40 1aur s ARG 45 N 1.22 4.29 -0.17 4.92 3.52 0.15 -4.29 118.95 128.58 1aur s ARG 45 Ca 0.05 0.90 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 1aur s ARG 45 Cb -0.14 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 1aur s ARG 45 CO 0.04 0.42 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.72 1aur s PHE 46 N -1.47 2.77 -0.17 5.12 0.40 -1.17 0.13 117.98 123.60 1aur s PHE 46 Ca 0.42 -1.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.40 1aur s PHE 46 Cb -0.18 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1aur s PHE 46 CO 0.22 -0.63 -0.07 0.08 0.70 0.00 0.00 175.22 175.52 1aur s VAL 47 N 1.05 3.47 -0.64 -0.44 1.01 0.64 -0.93 120.40 124.56 1aur s VAL 47 Ca -0.01 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1aur s VAL 47 Cb -0.14 -2.52 0.16 0.00 0.00 0.00 0.00 36.38 33.87 1aur s VAL 47 CO -0.05 0.48 0.43 -0.76 0.00 0.00 0.00 175.10 175.19 1aur s LEU 48 N 0.74 4.50 0.67 3.92 1.02 0.23 -1.14 118.68 128.62 1aur s LEU 48 Ca -0.03 -3.59 -0.16 0.00 0.02 0.00 0.00 54.13 50.37 1aur s LEU 48 Cb -0.15 -1.57 0.01 0.00 0.02 0.00 0.00 46.19 44.50 1aur s LEU 48 CO 0.02 -0.13 1.16 -2.16 0.02 0.00 0.00 176.35 175.26 1aur s PRO 49 N -1.07 2.60 -0.11 1.29 0.04 -1.26 -0.50 135.00 135.99 1aur s PRO 49 Ca 0.23 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1aur s PRO 49 Cb -0.10 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1aur s PRO 49 CO -0.12 -1.45 -0.06 -1.14 0.04 0.00 0.00 177.00 174.27 1aur s GLN 50 N -3.87 3.22 0.61 4.56 0.74 -1.26 -4.50 119.66 119.16 1aur s GLN 50 Ca 0.71 -0.54 -0.17 0.00 0.05 0.00 0.00 55.36 55.41 1aur s GLN 50 Cb -0.25 -2.74 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 1aur s GLN 50 CO 0.41 0.44 1.15 0.00 -0.55 0.00 0.00 175.29 176.74 1aur s ALA 51 N -0.20 2.52 0.42 1.58 0.00 -1.26 -4.84 121.76 119.99 1aur s ALA 51 Ca 0.03 0.80 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1aur s ALA 51 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1aur s ALA 51 CO 0.03 -1.15 1.37 -2.30 0.00 0.00 0.00 175.76 173.71 1aur n PRO 52 N -1.86 2.19 -2.39 0.00 -0.02 -1.26 -4.24 135.00 127.42 1aur n PRO 52 Ca 0.12 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 1aur n PRO 52 Cb 0.51 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1aur n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1aur s THR 53 N -1.17 4.04 0.04 3.45 2.01 -1.26 -0.54 115.64 122.21 1aur s THR 53 Ca 0.59 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.66 1aur s THR 53 Cb -0.49 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 1aur s THR 53 CO 0.59 -0.60 0.11 0.00 -0.69 0.00 0.00 174.62 174.04 1aur s ARG 54 N 4.49 0.64 0.25 4.92 1.70 -0.42 -4.79 118.95 125.75 1aur s ARG 54 Ca 0.58 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 1aur s ARG 54 Cb -0.15 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.33 1aur s ARG 54 CO 0.27 -0.17 1.09 -2.30 -1.08 0.00 0.00 175.30 173.11 1aur n PRO 55 N 0.61 1.37 -4.30 3.89 -0.02 -1.26 -1.12 135.00 134.17 1aur n PRO 55 Ca -0.18 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 1aur n PRO 55 Cb 0.59 -1.91 -0.16 0.00 -0.02 0.00 0.00 33.50 32.00 1aur n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1aur s VAL 56 N -0.74 1.98 0.16 -1.45 1.01 -0.12 -4.80 120.40 116.44 1aur s VAL 56 Ca 0.63 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1aur s VAL 56 Cb -0.74 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 1aur s VAL 56 CO 0.57 0.53 1.45 0.74 0.00 0.00 0.00 175.10 178.39 1aur h THR 57 N 5.92 1.30 0.00 3.92 2.02 -1.85 0.11 112.91 124.32 1aur h THR 57 Ca -0.40 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1aur h THR 57 Cb 1.16 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1aur h THR 57 CO 0.59 0.56 0.00 2.30 0.37 0.00 0.00 175.52 179.35 1aur n ILE 58 N -3.98 0.94 -0.61 3.11 -5.35 -1.03 -1.79 119.36 110.66 1aur n ILE 58 Ca -0.04 0.40 0.08 0.00 -0.27 0.00 0.00 62.75 62.92 1aur n ILE 58 Cb 0.62 -1.34 0.26 0.00 -1.74 0.00 0.00 39.64 37.43 1aur n ILE 58 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1aur n ASN 59 N -2.19 3.88 0.00 7.28 3.02 -1.00 -4.96 115.26 121.28 1aur n ASN 59 Ca 0.01 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1aur n ASN 59 Cb 0.16 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1aur n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aur n GLY 60 N 0.36 0.54 2.16 7.41 0.00 -0.74 -2.55 105.19 112.36 1aur n GLY 60 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1aur n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aur n GLY 61 N -2.39 0.51 3.69 -0.02 0.00 0.35 -4.98 105.19 102.35 1aur n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1aur n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1aur n TYR 62 N -2.85 2.62 -2.80 1.61 4.19 -1.06 -4.17 117.16 114.71 1aur n TYR 62 Ca 0.00 -0.07 -0.42 0.00 3.31 0.00 0.00 57.90 60.72 1aur n TYR 62 Cb 0.03 -2.70 -0.03 0.00 0.49 0.00 0.00 39.34 37.12 1aur n TYR 62 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1aur s GLU 63 N 2.29 4.24 0.14 2.98 2.02 -1.26 -0.94 118.70 128.17 1aur s GLU 63 Ca 0.81 1.13 -0.12 0.00 0.02 0.00 0.00 54.97 56.80 1aur s GLU 63 Cb -0.51 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.11 1aur s GLU 63 CO 0.37 -0.52 0.33 0.00 0.02 0.00 0.00 175.26 175.46 1aur s MET 64 N 2.81 1.08 -0.36 1.61 0.23 -0.27 -4.79 119.30 119.61 1aur s MET 64 Ca 0.39 -0.92 -0.41 0.00 -1.03 0.00 0.00 55.69 53.72 1aur s MET 64 Cb -0.16 0.42 -0.16 0.00 -1.53 0.00 0.00 34.83 33.40 1aur s MET 64 CO 0.08 -0.40 1.85 -2.30 -2.03 0.00 0.00 175.02 172.22 1aur n PRO 65 N -0.20 0.77 -3.77 3.16 -0.02 -1.25 -1.30 135.00 132.40 1aur n PRO 65 Ca -0.13 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1aur n PRO 65 Cb 0.63 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 1aur n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1aur s SER 66 N 4.43 -0.15 0.24 2.55 0.15 0.30 -1.72 113.70 119.50 1aur s SER 66 Ca 1.05 0.34 0.12 0.00 0.70 0.00 0.00 55.95 58.16 1aur s SER 66 Cb -1.17 0.27 0.16 0.00 -1.71 0.00 0.00 66.02 63.57 1aur s SER 66 CO 0.66 -0.12 1.49 -0.50 1.20 0.00 0.00 173.24 175.96 1aur h TRP 67 N 6.82 0.00 -1.66 3.44 4.06 -1.91 -3.35 115.95 123.34 1aur h TRP 67 Ca -0.37 0.00 0.17 0.00 2.06 0.00 0.00 58.89 60.75 1aur h TRP 67 Cb 1.16 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 29.12 1aur h TRP 67 CO 0.41 0.68 0.68 1.52 -3.56 0.00 0.00 178.44 178.16 1aur s TYR 68 N -3.16 -0.24 0.22 0.49 -0.85 -1.26 -3.98 117.35 108.57 1aur s TYR 68 Ca 0.01 0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.51 1aur s TYR 68 Cb 0.10 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.86 1aur s TYR 68 CO 0.76 -0.31 1.26 0.34 -1.52 0.00 0.00 175.55 176.09 1aur s ASP 69 N -1.87 6.96 -0.14 -0.18 2.15 -1.26 -4.80 116.67 117.54 1aur s ASP 69 Ca 0.05 2.38 -0.04 0.00 0.43 0.00 0.00 52.55 55.38 1aur s ASP 69 Cb -0.01 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1aur s ASP 69 CO -0.05 -0.46 -0.00 -0.63 -0.17 0.00 0.00 175.17 173.86 1aur s ILE 70 N -0.18 4.21 -0.11 4.11 1.09 -1.26 0.15 121.20 129.22 1aur s ILE 70 Ca 0.54 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.87 1aur s ILE 70 Cb -0.36 -2.83 -0.09 0.00 -1.06 0.00 0.00 42.46 38.12 1aur s ILE 70 CO 0.40 0.53 -0.04 0.29 -0.10 0.00 0.00 174.94 176.01 1aur n LYS 71 N 3.04 1.32 -4.02 2.79 5.02 0.62 -2.45 118.16 124.48 1aur n LYS 71 Ca -0.18 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1aur n LYS 71 Cb 0.53 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.19 1aur n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aur s ALA 72 N -2.23 0.26 -0.09 7.82 0.00 -1.23 -4.41 121.76 121.89 1aur s ALA 72 Ca -0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1aur s ALA 72 Cb 0.03 0.18 -0.28 0.00 0.00 0.00 0.00 23.12 23.05 1aur s ALA 72 CO 0.32 -0.21 0.55 0.52 0.00 0.00 0.00 175.76 176.94 1aur h MET 73 N 4.20 0.31 -2.18 0.00 2.86 -1.92 -3.24 114.93 114.97 1aur h MET 73 Ca -0.33 -0.54 -0.07 0.00 -2.06 0.00 0.00 59.70 56.71 1aur h MET 73 Cb 1.19 0.20 -0.20 0.00 0.06 0.00 0.00 31.60 32.85 1aur h MET 73 CO 0.48 1.26 0.08 -1.12 1.06 0.00 0.00 176.91 178.67 1aur s SER 74 N -7.15 -0.62 0.00 1.22 0.01 -1.26 -4.00 113.70 101.90 1aur s SER 74 Ca -0.19 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1aur s SER 74 Cb 0.05 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1aur s SER 74 CO 0.80 -0.42 0.19 -0.81 0.41 0.00 0.00 173.24 173.41 1aur n PRO 75 N 1.78 0.00 0.00 12.44 -0.04 -1.26 -4.98 135.00 142.95 1aur n PRO 75 Ca -0.17 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1aur n PRO 75 Cb 0.56 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1aur n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aur n ALA 76 N -1.00 0.00 -2.74 0.55 0.00 -1.26 -4.86 120.51 111.20 1aur n ALA 76 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1aur n ALA 76 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1aur n ALA 76 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1aur s ARG 77 N 0.00 3.50 -0.21 0.00 3.03 -1.26 -4.26 118.95 119.76 1aur s ARG 77 Ca 0.00 -1.26 -0.10 0.00 2.03 0.00 0.00 55.73 56.40 1aur s ARG 77 Cb 0.00 -4.95 -0.05 0.00 -1.03 0.00 0.00 34.95 28.92 1aur s ARG 77 CO 0.00 -1.99 0.13 0.45 -1.13 0.00 0.00 175.30 172.77 1aur s SER 78 N 4.19 6.18 0.21 -2.89 0.15 -1.22 -5.01 113.70 115.31 1aur s SER 78 Ca 0.37 0.20 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1aur s SER 78 Cb -0.05 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.13 1aur s SER 78 CO -0.05 0.16 0.01 0.27 1.20 0.00 0.00 173.24 174.82 1aur s ILE 79 N 0.50 0.85 -0.39 6.45 -4.36 -1.26 -0.28 121.20 122.71 1aur s ILE 79 Ca 0.08 -2.01 -0.25 0.00 -0.26 0.00 0.00 60.65 58.20 1aur s ILE 79 Cb -0.12 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1aur s ILE 79 CO -0.01 -0.37 0.90 -0.55 0.24 0.00 0.00 174.94 175.16 1aur s SER 80 N -3.25 6.62 0.05 4.36 0.15 0.12 -4.92 113.70 116.82 1aur s SER 80 Ca 0.27 0.43 0.02 0.00 0.70 0.00 0.00 55.95 57.38 1aur s SER 80 Cb 0.06 -2.45 -0.25 0.00 -1.71 0.00 0.00 66.02 61.67 1aur s SER 80 CO 0.07 -0.89 1.01 0.25 1.20 0.00 0.00 173.24 174.88 1aur h LEU 81 N 10.15 0.22 -0.37 3.45 5.85 -1.99 -2.62 115.31 130.00 1aur h LEU 81 Ca -0.24 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1aur h LEU 81 Cb 1.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1aur h LEU 81 CO 0.98 1.23 0.22 -0.08 -0.34 0.00 0.00 178.44 180.45 1aur h GLU 82 N 0.04 0.50 -0.69 1.25 4.81 -1.99 -1.39 114.58 117.10 1aur h GLU 82 Ca -0.16 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1aur h GLU 82 Cb 1.93 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 31.18 1aur h GLU 82 CO 0.15 0.38 0.19 0.93 -0.73 0.00 0.00 179.01 179.92 1aur h GLU 83 N 0.48 1.08 -0.20 1.92 5.08 -1.89 -1.20 114.58 119.86 1aur h GLU 83 Ca 0.13 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1aur h GLU 83 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1aur h GLU 83 CO -0.02 0.94 0.14 1.25 -1.00 0.00 0.00 179.01 180.31 1aur h LEU 84 N 1.03 0.21 0.00 1.33 6.46 -1.04 -0.83 115.31 122.48 1aur h LEU 84 Ca 0.22 -0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.78 1aur h LEU 84 Cb 0.33 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 1aur h LEU 84 CO -0.00 0.15 -1.28 -0.33 -0.62 0.00 0.00 178.44 176.36 1aur h GLU 85 N 0.25 0.00 -0.46 1.25 5.08 -0.63 -1.79 114.58 118.28 1aur h GLU 85 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1aur h GLU 85 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1aur h GLU 85 CO -0.02 0.48 -0.17 0.28 -1.00 0.00 0.00 179.01 178.59 1aur h VAL 86 N 0.00 1.27 -0.74 3.13 2.07 -0.21 -1.74 116.25 120.03 1aur h VAL 86 Ca -0.15 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 1aur h VAL 86 Cb 1.70 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1aur h VAL 86 CO 0.07 0.45 0.30 0.28 0.02 0.00 0.00 177.57 178.69 1aur h SER 87 N 0.76 1.01 -0.37 0.57 0.02 -1.11 -1.18 113.55 113.25 1aur h SER 87 Ca 0.11 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1aur h SER 87 Cb 0.73 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1aur h SER 87 CO 0.06 0.89 -0.02 0.00 -1.14 0.00 0.00 176.83 176.61 1aur h ALA 88 N 1.26 1.11 -0.10 3.77 0.00 -1.11 -1.44 119.26 122.74 1aur h ALA 88 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1aur h ALA 88 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aur h ALA 88 CO -0.02 0.56 0.03 -0.22 0.00 0.00 0.00 179.25 179.60 1aur h LYS 89 N 0.70 0.17 -0.60 0.00 1.63 -1.03 -1.00 116.57 116.44 1aur h LYS 89 Ca 0.14 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1aur h LYS 89 Cb 0.46 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1aur h LYS 89 CO 0.02 0.34 0.40 0.52 -3.45 0.00 0.00 179.45 177.28 1aur h MET 90 N -0.03 0.72 -0.28 1.90 2.86 -0.91 -1.66 114.93 117.53 1aur h MET 90 Ca 0.03 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 1aur h MET 90 Cb 0.24 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1aur h MET 90 CO 0.00 0.48 -0.54 0.28 1.06 0.00 0.00 176.91 178.19 1aur h VAL 91 N 0.74 1.28 -0.59 -2.22 2.07 -0.89 -1.46 116.25 115.19 1aur h VAL 91 Ca 0.23 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.10 1aur h VAL 91 Cb 0.02 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1aur h VAL 91 CO -0.06 0.56 0.26 0.74 0.02 0.00 0.00 177.57 179.09 1aur h THR 92 N 0.64 0.86 -0.42 2.57 2.02 -0.59 -1.00 112.91 116.99 1aur h THR 92 Ca 0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1aur h THR 92 Cb 1.14 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1aur h THR 92 CO 0.12 0.09 0.15 0.44 0.37 0.00 0.00 175.52 176.68 1aur h ASP 93 N 0.48 0.55 -0.52 4.18 3.32 -0.77 -2.34 116.42 121.32 1aur h ASP 93 Ca 0.28 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1aur h ASP 93 Cb 0.28 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1aur h ASP 93 CO -0.24 0.52 0.24 -0.07 -1.72 0.00 0.00 179.24 177.97 1aur h LEU 94 N 0.60 0.72 -0.32 1.55 3.38 -0.18 -1.85 115.31 119.21 1aur h LEU 94 Ca 0.15 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1aur h LEU 94 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1aur h LEU 94 CO -0.01 0.63 -0.07 0.40 0.09 0.00 0.00 178.44 179.48 1aur h ILE 95 N 0.79 1.28 -0.52 1.22 2.04 -0.77 -2.30 117.51 119.25 1aur h ILE 95 Ca 0.19 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1aur h ILE 95 Cb 0.12 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1aur h ILE 95 CO -0.02 0.36 0.30 -0.33 0.00 0.00 0.00 178.15 178.46 1aur h GLU 96 N 0.39 0.71 0.00 2.37 4.39 -1.23 -1.93 114.58 119.28 1aur h GLU 96 Ca 0.08 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1aur h GLU 96 Cb 0.56 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1aur h GLU 96 CO 0.03 0.53 -0.17 0.00 -1.16 0.00 0.00 179.01 178.23 1aur h ALA 97 N 1.14 1.58 0.01 3.43 0.00 -1.23 -2.71 119.26 121.48 1aur h ALA 97 Ca 0.18 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1aur h ALA 97 Cb 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1aur h ALA 97 CO -0.03 0.22 -1.01 1.96 0.00 0.00 0.00 179.25 180.39 1aur h GLN 98 N 0.00 0.67 -0.43 0.00 1.08 -0.81 -3.24 115.11 112.38 1aur h GLN 98 Ca -0.00 -0.73 0.08 0.00 -1.45 0.00 0.00 58.65 56.55 1aur h GLN 98 Cb 0.34 0.21 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1aur h GLN 98 CO 0.02 1.31 -0.04 0.87 -0.95 0.00 0.00 178.83 180.05 1aur h LYS 99 N 0.33 0.07 -0.18 1.46 1.57 -1.39 -1.89 116.57 116.54 1aur h LYS 99 Ca -0.13 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1aur h LYS 99 Cb 1.67 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1aur h LYS 99 CO 0.20 0.05 0.27 0.00 -0.57 0.00 0.00 179.45 179.39 1aur h ARG 100 N 0.07 0.00 -0.00 3.15 3.08 -1.54 0.16 114.38 119.30 1aur h ARG 100 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1aur h ARG 100 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1aur h ARG 100 CO -0.39 0.00 -0.03 0.25 -1.07 0.00 0.00 179.97 178.74 1aur n THR 101 N -3.51 0.00 -0.07 2.04 -2.24 -0.71 -4.91 114.28 104.87 1aur n THR 101 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1aur n THR 101 Cb 0.38 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1aur n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aur n GLY 102 N 1.13 0.71 3.74 3.38 0.00 0.54 -5.07 105.19 109.63 1aur n GLY 102 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1aur n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aur s ILE 103 N -2.09 4.09 0.24 -0.61 -1.09 -1.20 -5.01 121.20 115.54 1aur s ILE 103 Ca 0.00 1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 60.02 1aur s ILE 103 Cb 0.00 -4.21 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 1aur s ILE 103 CO 0.00 0.37 1.05 -0.62 -1.23 0.00 0.00 174.94 174.51 1aur s ASP 104 N -0.51 7.39 0.45 3.58 -1.08 -1.26 -3.97 116.67 121.27 1aur s ASP 104 Ca 0.45 2.12 0.17 0.00 -0.52 0.00 0.00 52.55 54.78 1aur s ASP 104 Cb -0.27 -2.62 1.04 0.00 -1.46 0.00 0.00 42.92 39.62 1aur s ASP 104 CO 0.33 -0.07 1.97 0.00 0.52 0.00 0.00 175.17 177.92 1aur h ALA 105 N 4.24 1.51 0.00 3.66 0.00 -1.96 0.29 119.26 127.01 1aur h ALA 105 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1aur h ALA 105 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aur h ALA 105 CO 0.68 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 179.07 1aur n SER 106 N -4.09 0.00 -0.41 0.00 3.41 -1.26 -2.16 113.62 109.10 1aur n SER 106 Ca -0.02 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 1aur n SER 106 Cb 0.28 -0.28 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1aur n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aur n ARG 107 N -1.28 1.00 -3.91 4.33 1.74 0.10 -3.48 116.66 115.16 1aur n ARG 107 Ca 0.03 -2.41 -0.35 0.00 -0.77 0.00 0.00 57.85 54.35 1aur n ARG 107 Cb 0.06 -1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1aur n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1aur s ILE 108 N -2.17 4.81 0.10 0.55 1.01 -0.92 -0.90 121.20 123.68 1aur s ILE 108 Ca 0.28 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1aur s ILE 108 Cb 0.26 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1aur s ILE 108 CO -0.02 0.42 -0.08 -0.36 0.00 0.00 0.00 174.94 174.90 1aur s PHE 109 N 0.68 2.80 -0.13 3.97 0.40 0.97 0.02 117.98 126.69 1aur s PHE 109 Ca 0.04 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1aur s PHE 109 Cb -0.13 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1aur s PHE 109 CO 0.02 0.43 -0.14 -0.51 0.70 0.00 0.00 175.22 175.72 1aur s LEU 110 N -2.18 2.66 0.11 -0.37 1.02 -0.48 -0.71 118.68 118.74 1aur s LEU 110 Ca 0.22 -0.35 0.05 0.00 0.02 0.00 0.00 54.13 54.07 1aur s LEU 110 Cb -0.11 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1aur s LEU 110 CO 0.14 0.15 -0.13 0.00 0.02 0.00 0.00 176.35 176.54 1aur s ALA 111 N 0.42 1.38 -0.28 4.21 0.00 0.19 -1.28 121.76 126.39 1aur s ALA 111 Ca -0.11 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1aur s ALA 111 Cb -0.16 -0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.02 1aur s ALA 111 CO 0.05 0.06 0.84 0.20 0.00 0.00 0.00 175.76 176.92 1aur s GLY 112 N -2.43 -0.33 -0.14 0.00 0.00 -1.00 -0.78 107.32 102.64 1aur s GLY 112 Ca 0.08 2.69 -0.05 0.00 0.00 0.00 0.00 44.72 47.44 1aur s GLY 112 CO 0.02 2.35 0.04 -0.12 0.00 0.00 0.00 173.10 175.38 1aur s PHE 113 N 1.23 3.23 0.00 1.90 5.36 -0.66 -0.91 117.98 128.14 1aur s PHE 113 Ca -0.07 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1aur s PHE 113 Cb -0.04 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 1aur s PHE 113 CO -0.14 0.31 0.00 0.45 -1.46 0.00 0.00 175.22 174.37 1aur n SER 114 N 2.88 0.00 -0.34 6.13 2.88 -0.62 -0.12 113.62 124.42 1aur n SER 114 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 1aur n SER 114 Cb 0.53 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.29 1aur n SER 114 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1aur h GLN 115 N 0.00 0.83 -0.50 -1.46 4.15 -1.88 0.03 115.11 116.28 1aur h GLN 115 Ca 0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1aur h GLN 115 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1aur h GLN 115 CO 0.00 0.55 -0.01 0.78 -1.93 0.00 0.00 178.83 178.22 1aur h GLY 116 N 0.85 0.90 1.76 2.39 0.00 -0.25 -2.96 103.07 105.77 1aur h GLY 116 Ca 0.51 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 1aur h GLY 116 CO -0.29 0.57 -0.35 -1.33 0.00 0.00 0.00 176.54 175.14 1aur h GLY 117 N 0.98 0.29 0.84 4.60 0.00 -0.83 -2.81 103.07 106.14 1aur h GLY 117 Ca 0.15 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.32 1aur h GLY 117 CO 0.02 0.23 0.50 0.00 0.00 0.00 0.00 176.54 177.30 1aur h ALA 118 N 1.40 1.84 0.08 3.60 0.00 -1.26 -1.87 119.26 123.06 1aur h ALA 118 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1aur h ALA 118 Cb 0.74 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aur h ALA 118 CO 0.06 -0.01 -1.13 0.28 0.00 0.00 0.00 179.25 178.45 1aur h VAL 119 N 0.64 1.39 -0.50 0.00 2.07 -1.56 -3.07 116.25 115.22 1aur h VAL 119 Ca 0.35 -2.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.19 1aur h VAL 119 Cb 0.51 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1aur h VAL 119 CO -0.13 0.78 0.06 0.58 0.02 0.00 0.00 177.57 178.89 1aur h VAL 120 N 0.20 1.25 -0.34 2.57 2.07 -1.23 -0.06 116.25 120.72 1aur h VAL 120 Ca -0.13 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1aur h VAL 120 Cb 1.80 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1aur h VAL 120 CO 0.20 0.34 0.21 -0.26 0.02 0.00 0.00 177.57 178.09 1aur h PHE 121 N 0.70 0.41 -0.51 1.57 0.04 -1.37 -2.28 116.94 115.49 1aur h PHE 121 Ca 0.15 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1aur h PHE 121 Cb 0.42 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1aur h PHE 121 CO 0.03 0.25 0.12 1.25 -0.60 0.00 0.00 178.31 179.36 1aur h HIS 122 N 0.44 0.86 -0.28 -0.55 2.76 -1.46 -0.66 115.15 116.25 1aur h HIS 122 Ca 0.13 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1aur h HIS 122 Cb -0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1aur h HIS 122 CO -0.06 0.76 0.07 1.15 -1.30 0.00 0.00 177.93 178.55 1aur h THR 123 N 0.71 1.22 0.08 6.26 2.02 -0.96 -1.20 112.91 121.05 1aur h THR 123 Ca 0.16 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1aur h THR 123 Cb 0.34 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1aur h THR 123 CO 0.00 0.24 -0.04 0.00 0.37 0.00 0.00 175.52 176.09 1aur h ALA 124 N 0.89 -0.11 -0.00 6.16 0.00 -1.38 0.18 119.26 125.00 1aur h ALA 124 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1aur h ALA 124 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aur h ALA 124 CO 0.00 -0.26 -0.81 1.19 0.00 0.00 0.00 179.25 179.37 1aur n PHE 125 N -4.87 0.00 -0.07 0.00 3.72 -0.26 -3.95 117.46 112.03 1aur n PHE 125 Ca -0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.17 1aur n PHE 125 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 1aur n PHE 125 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1aur n ILE 126 N -1.04 0.82 -0.01 4.37 5.41 -0.52 -4.84 119.36 123.55 1aur n ILE 126 Ca 0.05 -0.17 -0.19 0.00 1.00 0.00 0.00 62.75 63.45 1aur n ILE 126 Cb 0.36 -1.71 -0.14 0.00 -0.71 0.00 0.00 39.64 37.44 1aur n ILE 126 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1aur h ASN 127 N -0.51 0.27 -3.42 4.38 -0.26 -1.29 -3.47 115.58 111.28 1aur h ASN 127 Ca -0.34 -0.87 -0.52 0.00 -0.56 0.00 0.00 56.30 54.01 1aur h ASN 127 Cb 1.26 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 38.44 1aur h ASN 127 CO -0.20 1.39 0.51 0.86 -1.06 0.00 0.00 177.43 178.93 1aur s TRP 128 N -2.39 3.51 -0.81 1.19 -0.11 0.62 -4.94 118.94 116.03 1aur s TRP 128 Ca -0.19 1.47 0.08 0.00 1.22 0.00 0.00 56.10 58.68 1aur s TRP 128 Cb 0.02 -3.35 0.02 0.00 -1.50 0.00 0.00 33.47 28.67 1aur s TRP 128 CO 0.74 -0.91 0.62 1.04 -4.62 0.00 0.00 176.95 173.82 1aur n GLN 129 N 2.97 1.41 -0.16 5.86 1.13 -1.26 -4.67 117.38 122.66 1aur n GLN 129 Ca 0.05 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 1aur n GLN 129 Cb 0.46 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1aur n GLN 129 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aur n GLY 130 N 0.65 1.77 3.79 1.08 0.00 -1.26 -4.84 105.19 106.39 1aur n GLY 130 Ca 0.04 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 1aur n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1aur s PRO 131 N 2.01 3.50 0.06 1.61 0.02 -1.26 -4.77 135.00 136.17 1aur s PRO 131 Ca 0.00 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.28 1aur s PRO 131 Cb 0.00 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.48 1aur s PRO 131 CO 0.00 -0.68 0.25 -1.17 -0.33 0.00 0.00 177.00 175.07 1aur s LEU 132 N -3.92 1.12 -0.02 -5.54 2.96 -1.25 -4.53 118.68 107.50 1aur s LEU 132 Ca 0.67 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 54.00 1aur s LEU 132 Cb -0.18 1.20 -0.29 0.00 0.50 0.00 0.00 46.19 47.42 1aur s LEU 132 CO 0.27 -0.65 0.98 1.23 -1.32 0.00 0.00 176.35 176.86 1aur h GLY 133 N 3.07 0.43 0.00 7.98 0.00 -0.31 -3.44 103.07 110.81 1aur h GLY 133 Ca -0.33 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.04 1aur h GLY 133 CO 0.49 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.49 1aur n GLY 134 N 1.48 1.96 3.43 4.60 0.00 -1.24 -4.49 105.19 110.92 1aur n GLY 134 Ca -0.13 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1aur n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aur s VAL 135 N -1.60 3.62 -0.19 1.61 1.01 -0.75 -1.38 120.40 122.71 1aur s VAL 135 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1aur s VAL 135 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1aur s VAL 135 CO 0.00 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.88 1aur s ILE 136 N 0.68 3.31 -0.20 2.22 1.01 -0.40 -0.01 121.20 127.80 1aur s ILE 136 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1aur s ILE 136 Cb -0.15 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1aur s ILE 136 CO 0.02 0.46 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 1aur s ALA 137 N 1.03 1.75 -0.25 9.38 0.00 -0.01 -2.38 121.76 131.27 1aur s ALA 137 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1aur s ALA 137 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1aur s ALA 137 CO -0.00 -0.99 0.11 -0.51 0.00 0.00 0.00 175.76 174.36 1aur s LEU 138 N 1.51 3.66 -1.21 0.00 1.02 -0.08 -1.03 118.68 122.54 1aur s LEU 138 Ca -0.03 -0.12 -0.17 0.00 0.02 0.00 0.00 54.13 53.83 1aur s LEU 138 Cb -0.17 -1.99 -0.00 0.00 0.02 0.00 0.00 46.19 44.05 1aur s LEU 138 CO -0.07 -0.02 0.69 -1.20 0.02 0.00 0.00 176.35 175.76 1aur n SER 139 N 4.85 -3.90 -2.48 2.29 7.64 0.25 -1.59 113.62 120.67 1aur n SER 139 Ca -0.15 -1.05 -0.12 0.00 1.01 0.00 0.00 58.87 58.56 1aur n SER 139 Cb 0.52 -3.10 -0.03 0.00 -1.01 0.00 0.00 64.21 60.59 1aur n SER 139 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1aur n THR 140 N -4.35 0.00 -3.82 0.44 5.66 -1.26 -3.03 114.28 107.92 1aur n THR 140 Ca -0.15 -1.42 -0.05 0.00 -3.05 0.00 0.00 64.05 59.38 1aur n THR 140 Cb 0.61 0.81 0.02 0.00 -1.55 0.00 0.00 70.33 70.23 1aur n THR 140 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aur n TYR 141 N -0.43 -1.65 -3.55 1.09 4.11 -1.26 -3.16 117.16 112.31 1aur n TYR 141 Ca 0.02 -1.38 -0.28 0.00 -0.00 0.00 0.00 57.90 56.26 1aur n TYR 141 Cb 0.42 0.68 -0.11 0.00 -0.00 0.00 0.00 39.34 40.33 1aur n TYR 141 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1aur s ALA 142 N -1.98 1.90 -2.00 -3.48 0.00 -1.26 -3.51 121.76 111.44 1aur s ALA 142 Ca 0.19 -2.65 0.10 0.00 0.00 0.00 0.00 51.96 49.60 1aur s ALA 142 Cb -0.03 -1.75 0.57 0.00 0.00 0.00 0.00 23.12 21.91 1aur s ALA 142 CO 0.07 -2.03 0.99 -0.35 0.00 0.00 0.00 175.76 174.45 1aur n PRO 143 N 2.97 0.39 -0.02 0.00 -0.04 -1.26 -1.68 135.00 135.36 1aur n PRO 143 Ca 0.22 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1aur n PRO 143 Cb 0.42 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1aur n PRO 143 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1aur n THR 144 N -0.89 1.13 -3.20 0.52 -2.24 -1.26 -4.98 114.28 103.37 1aur n THR 144 Ca 0.07 -1.21 -0.37 0.00 -2.27 0.00 0.00 64.05 60.27 1aur n THR 144 Cb 0.03 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1aur n THR 144 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aur s PHE 145 N -1.34 3.70 0.18 4.78 0.40 -0.67 -5.01 117.98 120.02 1aur s PHE 145 Ca 0.07 1.30 -0.08 0.00 -0.60 0.00 0.00 56.93 57.62 1aur s PHE 145 Cb 0.06 -2.54 0.03 0.00 0.51 0.00 0.00 43.02 41.08 1aur s PHE 145 CO 0.01 0.44 0.40 0.41 0.70 0.00 0.00 175.22 177.17 1aur n GLY 146 N 1.06 1.43 0.24 4.36 0.00 -1.26 -5.02 105.19 106.00 1aur n GLY 146 Ca -0.05 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.95 1aur n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aur h ASP 147 N 0.96 0.00 0.20 1.61 3.32 -2.00 0.12 116.42 120.63 1aur h ASP 147 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1aur h ASP 147 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1aur h ASP 147 CO 0.20 0.00 -0.30 -0.62 -1.72 0.00 0.00 179.24 176.80 1aur n GLU 148 N -2.39 0.87 -2.13 3.56 -0.58 -1.26 -4.94 120.64 113.77 1aur n GLU 148 Ca -0.01 -0.55 -0.42 0.00 -0.42 0.00 0.00 57.16 55.75 1aur n GLU 148 Cb 0.36 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1aur n GLU 148 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1aur s LEU 149 N -2.51 4.37 -0.02 -4.62 2.96 0.43 -5.02 118.68 114.27 1aur s LEU 149 Ca 0.23 2.37 0.05 0.00 -0.22 0.00 0.00 54.13 56.56 1aur s LEU 149 Cb 0.19 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 1aur s LEU 149 CO 0.53 -0.68 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.10 1aur s GLU 150 N 1.12 1.48 -0.12 1.98 2.02 -1.26 -5.01 118.70 118.92 1aur s GLU 150 Ca 0.65 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 1aur s GLU 150 Cb -0.38 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 1aur s GLU 150 CO 0.30 0.34 0.13 -0.51 0.02 0.00 0.00 175.26 175.54 1aur s LEU 151 N -0.30 4.31 0.99 1.80 1.43 -1.26 -5.02 118.68 120.62 1aur s LEU 151 Ca 0.04 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1aur s LEU 151 Cb -0.08 -2.05 0.18 0.00 0.03 0.00 0.00 46.19 44.28 1aur s LEU 151 CO -0.00 0.40 1.08 -0.94 0.23 0.00 0.00 176.35 177.12 1aur s SER 152 N -0.96 2.63 0.37 2.29 1.04 -1.26 -4.87 113.70 112.94 1aur s SER 152 Ca 0.15 1.41 0.10 0.00 0.48 0.00 0.00 55.95 58.08 1aur s SER 152 Cb -0.12 -2.09 0.85 0.00 0.10 0.00 0.00 66.02 64.76 1aur s SER 152 CO 0.04 -3.15 1.88 0.00 0.98 0.00 0.00 173.24 172.98 1aur h ALA 153 N -1.91 1.87 -0.18 5.32 0.00 -1.99 -2.38 119.26 119.99 1aur h ALA 153 Ca -0.53 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 1aur h ALA 153 Cb 1.31 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aur h ALA 153 CO 0.54 -0.10 -0.67 0.66 0.00 0.00 0.00 179.25 179.69 1aur h SER 154 N 0.66 0.90 0.36 0.00 4.64 -1.92 -3.25 113.55 114.94 1aur h SER 154 Ca 0.43 -0.61 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1aur h SER 154 Cb 0.72 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1aur h SER 154 CO -0.19 1.35 -0.22 1.56 -0.87 0.00 0.00 176.83 178.47 1aur h GLN 155 N 0.50 0.00 0.00 4.77 4.20 -1.74 -1.31 115.11 121.53 1aur h GLN 155 Ca -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1aur h GLN 155 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1aur h GLN 155 CO 0.14 0.22 -0.18 1.96 -0.67 0.00 0.00 178.83 180.29 1aur h GLN 156 N 0.00 0.00 -0.00 1.46 4.20 -1.47 -3.14 115.11 116.15 1aur h GLN 156 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aur h GLN 156 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1aur h GLN 156 CO 0.03 0.18 -0.22 0.54 -0.67 0.00 0.00 178.83 178.69 1aur n ARG 157 N -3.56 0.41 -2.64 1.46 1.74 -0.49 -4.28 116.66 109.30 1aur n ARG 157 Ca -0.01 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 1aur n ARG 157 Cb 0.33 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1aur n ARG 157 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1aur s ILE 158 N -2.71 4.07 0.93 0.55 1.01 -1.19 -4.98 121.20 118.88 1aur s ILE 158 Ca 0.21 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 1aur s ILE 158 Cb 0.19 -4.71 0.15 0.00 0.01 0.00 0.00 42.46 38.10 1aur s ILE 158 CO 0.55 -1.36 1.09 -2.16 0.00 0.00 0.00 174.94 173.07 1aur s PRO 159 N 4.82 0.95 -0.14 2.79 0.04 -1.26 -4.58 135.00 137.61 1aur s PRO 159 Ca 0.39 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 1aur s PRO 159 Cb -0.09 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.73 1aur s PRO 159 CO 0.23 -2.46 0.35 0.00 0.04 0.00 0.00 177.00 175.15 1aur s ALA 160 N -2.87 -0.87 -0.10 8.56 0.00 -0.51 -1.81 121.76 124.17 1aur s ALA 160 Ca 0.64 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1aur s ALA 160 Cb -0.19 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1aur s ALA 160 CO 0.58 -0.22 -0.20 -1.17 0.00 0.00 0.00 175.76 174.75 1aur s LEU 161 N 1.04 2.36 -0.13 0.00 2.96 0.98 -1.79 118.68 124.10 1aur s LEU 161 Ca -0.07 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1aur s LEU 161 Cb -0.07 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1aur s LEU 161 CO -0.08 0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 175.04 1aur s LEU 163 N 1.60 2.25 0.03 0.00 1.43 -0.20 -0.76 118.68 123.04 1aur s LEU 163 Ca 0.05 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 1aur s LEU 163 Cb -0.13 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.41 1aur s LEU 163 CO -0.09 0.03 0.60 -2.28 0.23 0.00 0.00 176.35 174.84 1aur s HIS 164 N -1.08 -0.55 0.12 0.29 2.46 -0.60 -0.59 115.29 115.35 1aur s HIS 164 Ca 0.03 0.72 -0.12 0.00 0.47 0.00 0.00 55.06 56.17 1aur s HIS 164 Cb -0.09 0.41 -0.06 0.00 -0.13 0.00 0.00 32.58 32.70 1aur s HIS 164 CO 0.03 -0.67 0.48 0.20 -2.47 0.00 0.00 174.74 172.31 1aur s GLY 165 N -1.78 2.39 0.48 1.59 0.00 -1.26 -0.91 107.32 107.83 1aur s GLY 165 Ca -0.07 -0.25 0.15 0.00 0.00 0.00 0.00 44.72 44.55 1aur s GLY 165 CO 0.01 -0.01 2.06 1.46 0.00 0.00 0.00 173.10 176.62 1aur h GLN 166 N 3.56 0.00 -0.38 2.90 4.20 -0.88 -3.28 115.11 121.23 1aur h GLN 166 Ca -0.49 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.06 1aur h GLN 166 Cb 1.19 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.87 1aur h GLN 166 CO 0.66 0.11 -0.00 0.66 -0.67 0.00 0.00 178.83 179.59 1aur n TYR 167 N -4.39 1.21 -2.33 2.96 4.01 0.10 -4.73 117.16 113.99 1aur n TYR 167 Ca -0.03 -1.46 -0.43 0.00 -0.16 0.00 0.00 57.90 55.83 1aur n TYR 167 Cb 0.18 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1aur n TYR 167 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1aur s ASP 168 N -2.30 6.71 0.00 7.72 -1.08 -1.24 -4.42 116.67 122.06 1aur s ASP 168 Ca 0.45 1.55 0.24 0.00 -0.52 0.00 0.00 52.55 54.27 1aur s ASP 168 Cb 0.40 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.69 1aur s ASP 168 CO 0.03 -0.99 1.37 0.47 0.52 0.00 0.00 175.17 176.57 1aur n ASP 169 N 7.38 3.37 -0.05 -0.34 8.00 -1.26 -4.01 116.55 129.63 1aur n ASP 169 Ca 0.15 -2.00 -0.07 0.00 0.71 0.00 0.00 54.79 53.59 1aur n ASP 169 Cb 0.45 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 1aur n ASP 169 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1aur n VAL 170 N 1.47 0.63 -3.86 2.53 0.31 -1.26 -4.84 118.33 113.32 1aur n VAL 170 Ca 0.18 -0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 63.95 1aur n VAL 170 Cb 0.61 -0.87 -0.16 0.00 -0.91 0.00 0.00 33.84 32.51 1aur n VAL 170 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aur s VAL 171 N -2.22 1.13 0.44 2.52 1.01 -1.26 -5.11 120.40 116.91 1aur s VAL 171 Ca -0.13 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 1aur s VAL 171 Cb 0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1aur s VAL 171 CO 0.28 -0.16 1.43 -1.10 0.00 0.00 0.00 175.10 175.55 1aur s GLN 172 N 1.57 3.72 0.43 2.72 -1.52 -1.26 -4.69 119.66 120.64 1aur s GLN 172 Ca -0.03 2.44 0.29 0.00 -1.95 0.00 0.00 55.36 56.10 1aur s GLN 172 Cb -0.18 -2.69 1.42 0.00 -0.22 0.00 0.00 33.01 31.34 1aur s GLN 172 CO -0.07 -0.79 1.61 -0.97 -0.25 0.00 0.00 175.29 174.81 1aur h ASN 173 N 2.39 0.25 -0.30 5.90 -0.73 -1.79 -1.49 115.58 119.81 1aur h ASN 173 Ca -0.51 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 57.80 1aur h ASN 173 Cb 1.26 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.99 1aur h ASN 173 CO 0.61 -0.23 0.10 0.00 -0.37 0.00 0.00 177.43 177.54 1aur h ALA 174 N 1.66 0.40 -0.78 1.57 0.00 -1.96 0.14 119.26 120.29 1aur h ALA 174 Ca 0.84 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.63 1aur h ALA 174 Cb 2.57 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 20.19 1aur h ALA 174 CO -0.48 0.02 0.49 0.52 0.00 0.00 0.00 179.25 179.81 1aur h MET 175 N 0.33 0.94 -0.76 0.00 2.86 -1.63 0.23 114.93 116.89 1aur h MET 175 Ca 0.10 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1aur h MET 175 Cb 0.23 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1aur h MET 175 CO -0.00 0.62 0.47 0.78 1.06 0.00 0.00 176.91 179.84 1aur h GLY 176 N 0.96 1.10 1.35 8.32 0.00 -0.92 -2.69 103.07 111.21 1aur h GLY 176 Ca 0.31 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1aur h GLY 176 CO -0.11 0.43 -0.33 -0.09 0.00 0.00 0.00 176.54 176.45 1aur h ARG 177 N 1.04 0.72 -0.76 4.80 9.65 -0.37 -2.75 114.38 126.71 1aur h ARG 177 Ca 0.28 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1aur h ARG 177 Cb -0.06 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1aur h ARG 177 CO -0.05 0.95 0.50 1.03 2.80 0.00 0.00 179.97 185.20 1aur h SER 178 N 0.61 0.86 -0.64 -3.80 0.87 -0.24 -0.70 113.55 110.52 1aur h SER 178 Ca 0.07 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1aur h SER 178 Cb 0.85 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1aur h SER 178 CO 0.07 0.62 0.30 0.00 -0.53 0.00 0.00 176.83 177.30 1aur h ALA 179 N 1.28 0.82 0.03 6.23 0.00 -1.21 -0.71 119.26 125.71 1aur h ALA 179 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1aur h ALA 179 Cb -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1aur h ALA 179 CO -0.06 0.39 -0.03 0.35 0.00 0.00 0.00 179.25 179.89 1aur h PHE 180 N 0.88 -0.08 0.26 0.00 3.57 -1.25 -3.07 116.94 117.25 1aur h PHE 180 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1aur h PHE 180 Cb 0.12 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1aur h PHE 180 CO 0.00 -0.05 -0.16 0.93 -2.23 0.00 0.00 178.31 176.79 1aur h GLU 181 N -0.08 -0.40 -0.80 1.11 4.39 -0.84 -0.07 114.58 117.91 1aur h GLU 181 Ca 0.00 0.03 0.29 0.00 0.34 0.00 0.00 59.36 60.02 1aur h GLU 181 Cb 0.07 0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 28.67 1aur h GLU 181 CO -0.01 -0.26 0.28 0.72 -1.16 0.00 0.00 179.01 178.58 1aur n HIS 182 N -5.29 0.78 -0.01 4.33 8.25 -0.30 0.19 115.22 123.18 1aur n HIS 182 Ca -0.09 0.95 -0.10 0.00 -0.26 0.00 0.00 57.72 58.22 1aur n HIS 182 Cb 0.20 -1.27 -0.14 0.00 1.12 0.00 0.00 29.99 29.91 1aur n HIS 182 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1aur h LEU 183 N 0.00 0.06 -0.21 2.41 3.38 -1.39 -3.34 115.31 116.21 1aur h LEU 183 Ca 0.61 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1aur h LEU 183 Cb 1.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1aur h LEU 183 CO -0.66 1.10 0.11 0.50 0.09 0.00 0.00 178.44 179.58 1aur h LYS 184 N 0.01 0.30 0.00 1.13 1.63 0.55 -0.08 116.57 120.11 1aur h LYS 184 Ca -0.27 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1aur h LYS 184 Cb 1.99 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.57 1aur h LYS 184 CO 0.09 0.29 0.15 0.66 -3.45 0.00 0.00 179.45 177.18 1aur h SER 185 N 0.23 0.00 -0.13 4.20 4.64 -0.41 -2.03 113.55 120.06 1aur h SER 185 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1aur h SER 185 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1aur h SER 185 CO -0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 1aur n ARG 186 N -2.88 2.79 -0.04 4.77 1.74 -0.95 -4.98 116.66 117.12 1aur n ARG 186 Ca -0.02 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1aur n ARG 186 Cb 0.20 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1aur n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aur n GLY 187 N -0.25 0.39 3.74 -0.13 0.00 -0.76 -4.99 105.19 103.19 1aur n GLY 187 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1aur n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aur s VAL 188 N -2.13 3.63 -0.40 1.61 1.01 -0.09 -4.95 120.40 119.10 1aur s VAL 188 Ca 0.00 1.43 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 1aur s VAL 188 Cb 0.00 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1aur s VAL 188 CO 0.00 0.26 1.61 -0.89 0.00 0.00 0.00 175.10 176.07 1aur s THR 189 N -0.32 3.68 -0.07 3.92 2.01 -1.26 -4.56 115.64 119.03 1aur s THR 189 Ca 0.50 0.67 -0.03 0.00 0.31 0.00 0.00 61.69 63.15 1aur s THR 189 Cb -0.32 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.27 1aur s THR 189 CO 0.37 -0.64 0.15 0.54 -0.69 0.00 0.00 174.62 174.35 1aur s VAL 190 N 6.30 -0.08 -0.04 3.82 0.11 -1.26 -1.43 120.40 127.82 1aur s VAL 190 Ca 0.69 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.96 1aur s VAL 190 Cb -0.17 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1aur s VAL 190 CO 0.32 0.09 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.24 1aur s THR 191 N 1.35 3.86 -0.13 5.04 2.01 -0.74 -4.98 115.64 122.04 1aur s THR 191 Ca -0.07 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1aur s THR 191 Cb -0.12 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1aur s THR 191 CO -0.06 0.52 -0.14 0.86 -0.69 0.00 0.00 174.62 175.11 1aur s TRP 192 N -0.91 2.79 -0.04 4.92 -0.11 -1.26 -0.77 118.94 123.55 1aur s TRP 192 Ca 0.15 -0.68 0.02 0.00 1.22 0.00 0.00 56.10 56.81 1aur s TRP 192 Cb -0.11 -1.83 0.01 0.00 -1.50 0.00 0.00 33.47 30.04 1aur s TRP 192 CO 0.04 -0.23 -0.09 -0.65 -4.62 0.00 0.00 176.95 171.41 1aur s GLN 193 N 0.34 1.17 0.01 5.86 -1.52 0.06 -4.99 119.66 120.59 1aur s GLN 193 Ca -0.12 -0.29 0.04 0.00 -1.95 0.00 0.00 55.36 53.05 1aur s GLN 193 Cb -0.16 -1.05 -0.03 0.00 -0.22 0.00 0.00 33.01 31.54 1aur s GLN 193 CO 0.06 0.04 -0.11 -1.21 -0.25 0.00 0.00 175.29 173.82 1aur s GLU 194 N 0.53 2.40 0.13 2.91 2.02 -1.26 -1.55 118.70 123.88 1aur s GLU 194 Ca -0.09 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.16 1aur s GLU 194 Cb -0.13 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1aur s GLU 194 CO 0.01 0.58 -0.15 0.71 0.02 0.00 0.00 175.26 176.44 1aur s TYR 195 N -0.96 1.50 -1.09 1.61 1.51 -0.09 -4.95 117.35 114.88 1aur s TYR 195 Ca 0.16 -0.53 -0.22 0.00 -1.01 0.00 0.00 57.07 55.47 1aur s TYR 195 Cb -0.11 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1aur s TYR 195 CO 0.06 0.19 1.70 -1.25 -1.11 0.00 0.00 175.55 175.14 1aur s PRO 196 N -2.69 3.31 0.23 -1.71 0.04 -1.26 -1.03 135.00 131.89 1aur s PRO 196 Ca 0.10 -1.18 -0.21 0.00 0.04 0.00 0.00 61.00 59.75 1aur s PRO 196 Cb -0.05 -5.33 0.07 0.00 0.04 0.00 0.00 34.50 29.23 1aur s PRO 196 CO 0.04 -2.73 0.96 0.00 0.04 0.00 0.00 177.00 175.30 1aur s MET 197 N 5.43 1.51 0.00 4.56 0.23 -1.26 -4.94 119.30 124.83 1aur s MET 197 Ca 0.56 -0.95 0.00 0.00 -1.03 0.00 0.00 55.69 54.28 1aur s MET 197 Cb -0.00 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.74 1aur s MET 197 CO 0.00 -0.71 0.00 0.41 -2.03 0.00 0.00 175.02 172.70 1aur n GLY 198 N -0.61 2.86 3.46 3.16 0.00 -1.26 -0.73 105.19 112.07 1aur n GLY 198 Ca -0.05 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 1aur n GLY 198 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aur s HIS 199 N 4.66 3.34 0.04 1.61 2.46 -1.26 -4.20 115.29 121.94 1aur s HIS 199 Ca 0.00 -1.85 -0.05 0.00 0.47 0.00 0.00 55.06 53.64 1aur s HIS 199 Cb 0.00 -4.32 0.02 0.00 -0.13 0.00 0.00 32.58 28.15 1aur s HIS 199 CO 0.00 -1.44 0.22 -0.85 -2.47 0.00 0.00 174.74 170.20 1aur n GLU 200 N 6.05 0.15 -4.88 2.88 0.28 -1.26 -5.11 120.64 118.76 1aur n GLU 200 Ca 0.32 -0.34 -0.26 0.00 -0.16 0.00 0.00 57.16 56.72 1aur n GLU 200 Cb 0.45 0.45 -0.16 0.00 1.43 0.00 0.00 31.44 33.61 1aur n GLU 200 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1aur s VAL 201 N -2.49 1.48 0.24 3.84 1.01 -1.26 -4.90 120.40 118.32 1aur s VAL 201 Ca 0.05 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1aur s VAL 201 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1aur s VAL 201 CO 0.01 0.42 0.17 -0.76 0.00 0.00 0.00 175.10 174.94 1aur s LEU 202 N -0.03 3.74 0.27 3.92 1.43 -1.26 -5.04 118.68 121.71 1aur s LEU 202 Ca -0.03 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1aur s LEU 202 Cb -0.11 -2.27 0.45 0.00 0.03 0.00 0.00 46.19 44.28 1aur s LEU 202 CO 0.02 -0.02 1.86 -0.65 0.23 0.00 0.00 176.35 177.78 1aur h PRO 203 N 1.64 1.03 0.00 1.29 0.11 -2.01 -1.28 132.00 132.78 1aur h PRO 203 Ca -0.48 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1aur h PRO 203 Cb 1.24 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1aur h PRO 203 CO 0.61 0.68 -0.50 0.37 -0.21 0.00 0.00 178.00 178.95 1aur h GLN 204 N 1.06 0.00 -0.39 1.05 5.75 -1.99 -0.62 115.11 119.98 1aur h GLN 204 Ca 0.45 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.91 1aur h GLN 204 Cb 0.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1aur h GLN 204 CO -0.21 0.50 0.10 1.49 -2.65 0.00 0.00 178.83 178.06 1aur h GLU 205 N 0.00 0.62 -0.30 1.69 4.81 -1.68 -1.57 114.58 118.15 1aur h GLU 205 Ca -0.01 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1aur h GLU 205 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1aur h GLU 205 CO 0.07 0.65 0.07 0.82 -0.73 0.00 0.00 179.01 179.88 1aur h ILE 206 N 0.48 1.22 -0.44 2.32 2.04 -0.87 -2.27 117.51 119.99 1aur h ILE 206 Ca 0.12 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.33 1aur h ILE 206 Cb 0.30 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1aur h ILE 206 CO 0.00 0.24 0.08 -0.74 0.00 0.00 0.00 178.15 177.73 1aur h HIS 207 N 0.32 0.12 -0.92 1.37 2.76 -1.05 -1.05 115.15 116.69 1aur h HIS 207 Ca 0.09 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1aur h HIS 207 Cb 0.29 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 1aur h HIS 207 CO 0.01 -0.01 0.60 -0.44 -1.30 0.00 0.00 177.93 176.80 1aur h ASP 208 N 0.21 1.07 -0.43 3.26 3.32 -1.14 -0.95 116.42 121.75 1aur h ASP 208 Ca 0.22 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1aur h ASP 208 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1aur h ASP 208 CO -0.30 0.78 -0.10 0.40 -1.72 0.00 0.00 179.24 178.31 1aur h ILE 209 N 1.25 1.26 -0.76 0.35 2.04 -0.87 -1.36 117.51 119.43 1aur h ILE 209 Ca 0.34 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1aur h ILE 209 Cb -0.13 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1aur h ILE 209 CO -0.07 0.42 0.30 1.23 0.00 0.00 0.00 178.15 180.02 1aur h GLY 210 N 0.97 1.23 1.00 5.37 0.00 -0.77 -1.33 103.07 109.55 1aur h GLY 210 Ca 0.13 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1aur h GLY 210 CO 0.04 0.64 0.01 0.00 0.00 0.00 0.00 176.54 177.23 1aur h ALA 211 N 1.15 0.67 -0.46 3.60 0.00 -0.98 -2.67 119.26 120.58 1aur h ALA 211 Ca 0.25 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aur h ALA 211 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1aur h ALA 211 CO -0.02 0.46 -0.22 2.35 0.00 0.00 0.00 179.25 181.82 1aur h TRP 212 N 0.73 1.07 -0.21 0.00 7.01 -0.90 -1.65 115.95 122.00 1aur h TRP 212 Ca 0.14 -0.25 -0.02 0.00 2.11 0.00 0.00 58.89 60.86 1aur h TRP 212 Cb 0.50 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1aur h TRP 212 CO 0.04 1.05 0.04 -0.07 -2.79 0.00 0.00 178.44 176.71 1aur h LEU 213 N 0.81 0.32 -1.33 0.65 3.38 -1.28 -1.49 115.31 116.36 1aur h LEU 213 Ca 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1aur h LEU 213 Cb 0.78 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1aur h LEU 213 CO 0.06 0.49 0.17 0.00 0.09 0.00 0.00 178.44 179.25 1aur h ALA 214 N 0.85 1.48 -0.39 1.53 0.00 -1.33 0.59 119.26 121.98 1aur h ALA 214 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1aur h ALA 214 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1aur h ALA 214 CO 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.49 1aur h ALA 215 N 1.57 0.97 0.00 0.00 0.00 -1.15 -1.10 119.26 119.54 1aur h ALA 215 Ca 0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1aur h ALA 215 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1aur h ALA 215 CO -0.01 0.60 -0.57 0.00 0.00 0.00 0.00 179.25 179.27 1aur h ARG 216 N 0.66 0.00 0.00 0.00 2.47 -0.12 -3.26 114.38 114.13 1aur h ARG 216 Ca 0.10 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.65 1aur h ARG 216 Cb 0.65 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 1aur h ARG 216 CO 0.05 0.57 -0.86 -0.07 0.56 0.00 0.00 179.97 180.22 1aur h LEU 217 N 0.00 0.00 0.00 3.04 3.38 0.26 -3.51 115.31 118.49 1aur h LEU 217 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1aur h LEU 217 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1aur h LEU 217 CO 0.07 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.06